Mol_1
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -2.7865    0.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3548    0.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2514   -0.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5797   -1.7367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1803    0.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5086    1.6381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2837   -0.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
M  END
$$$$
Mol_2
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.0172   -1.5150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4629   -0.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3929    1.0557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9787    0.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4244    1.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0599    1.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9898    0.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4740    0.7463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4355   -0.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3655   -2.0413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0487   -1.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  2  0
 11  4  1  0
M  END
$$$$
Mol_3
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.4653    0.6606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5353   -0.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0511   -0.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4968    1.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9874    1.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174    0.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4016    0.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3631   -1.2595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1211   -1.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9  3  1  0
M  END
$$$$
Mol_4
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.0000    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10  4  1  0
M  END
$$$$
Mol_5
     RDKit          2D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
M  END
$$$$
Mol_6
     RDKit          2D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -1.2990   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
M  END
$$$$
Mol_7
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
    1.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
M  END
$$$$
Mol_8
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
    1.6198    2.3424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2034    0.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2432   -0.1798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8268   -1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3706   -1.9807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6692   -0.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1684   -0.9489    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6786    0.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4947    1.3828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2528    0.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10  2  1  0
 10  6  2  0
M  END
$$$$
Mol_9
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    3.4483   -1.4737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2691    0.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4693    0.9153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8898    0.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6897   -0.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6897    0.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8898   -0.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2691   -0.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4483    1.4737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4693   -0.9153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
M  END
$$$$
Mol_10
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    4.0925   -0.0364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6237   -0.3408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1529   -1.7650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6257    0.7791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1569    0.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3139   -0.9495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7827   -1.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2535   -2.6780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7807   -0.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8410    1.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3702    3.0188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3098    1.2902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  5 10  1  0
 10 11  2  0
 10 12  1  0
M  END
$$$$
Mol_11
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -3.0851    0.4695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0677   -0.6327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6045   -0.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1586    1.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3047    1.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3221    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8762   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4129   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
M  END
$$$$
Mol_12
     RDKit          2D

  6  6  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
M  END
$$$$
Mol_13
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.5833    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8333    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5833   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3333   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4167   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9167   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6667    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9167    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4167    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
M  END
$$$$
Mol_14
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -3.0851    0.4695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0677   -0.6327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6045   -0.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1586    1.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3047    1.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3221    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8762   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4129   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
M  END
$$$$
Mol_15
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -2.5981   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
M  END
$$$$
Mol_16
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.8748   -0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4825    0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3029   -0.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0893   -0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3020    1.4551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2689   -0.9563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
M  END
$$$$
Mol_17
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    1.9486   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6495   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6495   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9486   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9486    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6495    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6495    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9486    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  2  1  0
M  END
$$$$
Mol_18
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -1.5000    2.1448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    0.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.1448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    0.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.9533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -2.7033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -2.7033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  5 11  1  0
 11 12  2  0
 11 13  1  0
M  END
$$$$
Mol_19
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.5305    1.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6580   -0.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2784   -1.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1651    0.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5446    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483    1.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8208    0.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3137    0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1862   -0.7785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003   -1.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2926   -1.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  7 10  1  0
 10 11  2  0
 11  4  1  0
M  END
$$$$
Mol_20
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.0115   -0.3231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7031   -1.0567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4136   -0.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4324    1.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1429    1.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1655    1.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4550    2.0082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1843   -0.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4926   -0.9915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5114   -2.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1053   -1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  2  0
 11  3  1  0
M  END
$$$$
Mol_21
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    1.9486   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6495   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6495   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9486   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9486    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6495    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6495    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9486    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  2  1  0
M  END
$$$$
Mol_22
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.5988    0.9104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7848   -0.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4688   -1.6844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2866   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5274   -1.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0255   -1.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7096   -0.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8956    1.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3975    1.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4166    2.3203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9  4  1  0
M  END
$$$$
Mol_23
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -3.5595   -3.3820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4227   -2.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9167   -2.2894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7920   -0.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6552    0.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0244    1.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8876    3.0201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5304    1.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8997    3.2885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6672    0.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1732    0.8350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6900   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0592   -1.7526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1840   -0.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0472   -1.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5412   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4044   -2.5767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1719    0.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6659    0.1452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3087    1.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9395    2.5986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8147    1.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2980   -0.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  2  0
 10 23  2  0
 23  4  1  0
 22 14  1  0
M  END
$$$$
Mol_24
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.3750    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3750    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
 12  4  1  0
M  END
$$$$
Mol_25
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -5.6074   -0.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2653    0.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0141   -0.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6720    0.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9213    0.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1725   -0.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5146    0.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6055    1.5094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7658   -0.8152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
M  END
$$$$
Mol_26
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -3.8971    1.5682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -0.6818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    1.5682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.6818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
M  END
$$$$
Mol_27
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -5.1962   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
M  END
$$$$
Mol_28
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -4.4693    0.9153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2691    0.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4483   -1.4737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8898    0.6050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6897   -0.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6897    0.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8898   -0.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2691   -0.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4483    1.4737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4693   -0.9153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
M  END
$$$$
Mol_29
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.2769   -1.2950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0193    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1703    1.1447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6108    0.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5402   -0.2633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2826   -1.7410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9487    0.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2062    1.7302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0997   -0.7094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
M  END
$$$$
Mol_30
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -2.8492    1.4386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0717   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4677   -0.5938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8983   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5024   -0.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2799    1.0532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1161    1.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2895    0.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6854    1.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0669   -0.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2403   -1.7501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6710   -1.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
 12  5  1  0
M  END
$$$$
Mol_31
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
    1.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
M  END
$$$$
Mol_32
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
    1.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  4  6  2  0
M  END
$$$$
Mol_33
     RDKit          2D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
M  END
$$$$
Mol_34
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.7486   -0.0835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3132    0.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2183   -0.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7829   -0.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4425    1.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9929    1.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0878    0.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5232    1.0692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7474   -0.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8423   -1.8525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3120   -1.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  2  0
 11  4  1  0
M  END
$$$$
Mol_35
     RDKit          2D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -1.2990   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
M  END
$$$$
Mol_36
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -2.0785    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7794   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
M  END
$$$$
Mol_37
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -1.5086    1.6381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1803    0.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2837   -0.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2514   -0.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5797   -1.7367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3548    0.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7865    0.2956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
M  END
$$$$
Mol_38
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.5981    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
M  END
$$$$
Mol_39
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
    0.5196    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7794   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0785    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
M  END
$$$$
Mol_40
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  2  1  0
M  END
$$$$
Mol_41
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.7942    0.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2856   -0.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8093   -0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3007   -2.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1586    0.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    1.8226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6349    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1435   -1.2648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6028    1.2923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
M  END
$$$$
Mol_42
     RDKit          2D

  9 10  0  0  0  0  0  0  0  0999 V2000
   -2.3055   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3055    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0065    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2925    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7191    1.2135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6008   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7191   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2925   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0065   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  1  1  0
  8  4  1  0
M  END
$$$$
Mol_43
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.5833    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8333    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5833   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3333   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4167   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9167   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6667    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9167    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4167    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
M  END
$$$$
Mol_44
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
    1.2990    1.3929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.8571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.3929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.8571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
M  END
$$$$
Mol_45
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -2.1971   -1.5765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9822   -0.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1604    0.8364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5891    0.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3742    1.9487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5891   -0.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3742   -1.9487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9822    0.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1971    1.5765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1604   -0.8364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
M  END
$$$$
Mol_46
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -1.8187   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5196    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5196    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7794   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0785   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
M  END
$$$$
Mol_47
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -2.5981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  1  1  0
  9  4  1  0
M  END
$$$$
Mol_48
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.5833    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8333    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5833   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3333   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4167   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9167   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6667    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9167    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4167    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
M  END
$$$$
Mol_49
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -1.5358    2.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8869    0.8493    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2732    0.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1565   -1.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6982   -1.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9136   -0.2919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5819   -0.1753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4306   -1.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9261   -1.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5728    0.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7241    1.2948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2286    1.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
  6  2  1  0
 12  7  1  0
M  END
$$$$
Mol_50
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -5.1962   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
M  END
$$$$
Mol_51
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -1.5000   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
M  END
$$$$
Mol_52
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
  -10.9048   -0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5900    0.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3073   -0.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9925    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7098   -0.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3950    0.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1124   -0.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7976    0.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5149   -0.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7999    0.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0826   -0.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3974    0.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6801   -0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9949    0.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2776   -0.6142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5924    0.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6245    1.6075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8751   -0.6698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
M  END
$$$$
Mol_53
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4189    0.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0110    0.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6726   -1.2398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6436    1.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8530    1.6608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4107    0.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8650   -0.0990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2587   -0.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3588   -2.1890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  8  2  1  0
M  END
$$$$
Mol_54
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -4.0444    0.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5865    0.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5520   -0.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0941   -0.3198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3293    1.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7872    1.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8217    0.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3984   -1.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405   -1.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
M  END
$$$$
Mol_55
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -1.2990   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
M  END
$$$$
Mol_56
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.3816   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0825   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0825   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2165   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5155   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8146   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8146    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5155    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2165    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0825    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3816    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0825    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
  9  4  1  0
M  END
$$$$
Mol_57
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -1.8187   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5196    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5196    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7794   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0785   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
M  END
$$$$
Mol_58
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
    3.2624   -0.2097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270    0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6677   -0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6677    0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9270   -0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2624    0.2097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
M  END
$$$$
Mol_59
     RDKit          2D

  6  6  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
M  END
$$$$
Mol_60
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -3.4843   -0.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0321    0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6312    1.8145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1790    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8724    1.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3246    1.4956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3759    0.4257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4715   -0.3253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5228   -1.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1219   -2.8407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9808   -0.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3816   -2.1463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  2  0
 11 12  1  0
 11  2  1  0
M  END
$$$$
Mol_61
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.5981   -0.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  8  2  1  0
M  END
$$$$
Mol_62
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -1.6026    1.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5678    0.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5181    1.5297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4670   -0.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9248   -0.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3478    1.2014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9596   -1.3236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6537   -0.5399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0928   -0.1169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -1.9977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  2  8  1  0
  8  9  2  0
  8 10  1  0
M  END
$$$$
Mol_63
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    5.8514   -0.2717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5393    0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2537   -0.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9416    0.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6560   -0.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6560    0.3635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9416   -0.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2537    0.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5393   -0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8514    0.2717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
M  END
$$$$
Mol_64
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -4.4194   -2.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4740   -1.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9928   -1.8176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0474   -0.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5832    0.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6377    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8435    1.6760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9055    2.7354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2411    2.0527    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0046    0.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0640   -0.4905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6740   -1.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7333   -3.0009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5228    0.3387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8402   -0.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0644    0.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6002    2.3855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0098   -0.1801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 10 14  2  0
 14 15  1  0
  5 16  1  0
 16 17  1  0
 16 18  2  0
 18  2  1  0
 14  7  1  0
M  CHG  1   7   1
M  END
$$$$
Mol_65
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.6931   -0.9264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2325   -0.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2064   -1.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2542   -1.3372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6886    0.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1492    0.4401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    1.1926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7981    0.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8243    1.9450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8  2  1  0
M  END
$$$$
Mol_66
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.5114   -2.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4926   -0.9915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1843   -0.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1053   -1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4136   -0.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7031   -1.0567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0115   -0.3231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4324    1.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1429    1.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1655    1.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4550    2.0082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  5  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10  3  1  0
M  END
$$$$
Mol_67
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.8254    0.0221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3278    0.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6517    1.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1540    1.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6675    0.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1652    0.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9867   -0.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8413    1.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0086   -1.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8129   -2.3200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5062   -1.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
  9 11  1  0
 11  2  1  0
M  END
$$$$
Mol_68
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.1201   -2.8198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1401   -1.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6336   -0.2677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8471   -0.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7953   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2760   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8084    0.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2891    0.6923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8603    1.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3796    1.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6128    1.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9013    2.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2106    1.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4992    2.0360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2314   -0.2317    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9429   -0.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9636   -2.4995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  3 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 16  3  1  0
 10  4  1  0
M  END
$$$$
Mol_69
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1960    0.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7614    0.6385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6647   -0.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0026   -1.8463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2301    0.0532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1078    1.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5424    1.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6391    0.9294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3012   -0.5320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3979   -1.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8666   -0.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11  5  1  0
M  END
$$$$
Mol_70
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
    5.9144    1.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4160    1.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6071    0.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2965   -1.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4876   -2.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9892   -2.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2997   -0.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1086    0.2766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4192    1.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0792    1.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7687    3.0099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7390    3.1746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0402    4.2731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8882    0.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3866    0.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0761    1.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6503    2.7030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5745    1.8846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1955   -0.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5061   -2.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0077   -2.1808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1987   -0.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6102   -3.6272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8630   -4.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0347   -3.5156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 10 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 15 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
  8  3  1  0
 22 14  1  0
 22  7  1  0
 25 20  1  0
M  CHG  2  11   1  13  -1
M  END
$$$$
Mol_71
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4375    2.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4877    1.1627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0074    1.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5231    2.8079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9425    0.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4120   -1.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5825   -2.0973    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8364   -1.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4408    0.1729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3789    1.3434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0683   -1.4013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5988   -2.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0182   -0.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4985   -0.4825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  6 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 13  2  1  0
  9  5  1  0
M  END
$$$$
Mol_72
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
    0.5033   -2.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4281   -1.0394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9268   -1.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4494    0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2736    1.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2251    1.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7476   -0.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1923   -0.5117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0244    0.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9718    1.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4624    0.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  5  9  1  0
  9 10  1  0
  9 11  1  0
  7  2  1  0
  9  2  1  0
M  END
$$$$
Mol_73
     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
  -10.3923   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0933    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923   -0.3529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
M  END
$$$$
Mol_74
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -2.7657    1.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4786    0.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5022   -1.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2151   -1.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0956   -1.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1191    0.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1680    1.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4163   -0.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    1.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5921    0.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7475    0.0094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
  7  2  1  0
 11  2  1  0
M  END
$$$$
Mol_75
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -6.9435   -0.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6127    0.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3480   -0.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0171    0.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7524   -0.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4216    0.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8431   -0.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1740    0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4387   -0.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7695    0.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8357    1.5381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0342   -0.7670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
M  END
$$$$
Mol_76
     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
   -7.5000   -2.4682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -2.4682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -1.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.1299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.1691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    4.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    4.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.1691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.1299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -1.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -2.4682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -2.4682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 13  8  1  0
M  END
$$$$
Mol_77
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.9340   -0.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5752    0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3456   -0.7383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9868   -0.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8577    1.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5011    2.0269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7308    1.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0895    1.8032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6016   -0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8313   -1.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7021   -2.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2428   -0.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  2  0
 12  4  1  0
M  END
$$$$
Mol_78
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.0813    0.0866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8784   -0.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0531   -2.2993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5009   -0.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7020   -1.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0795   -0.5184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2824   -1.4145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2541    0.9714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0513    1.8676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3263    1.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5291    2.1701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10  4  1  0
M  END
$$$$
Mol_79
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -2.0793    3.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0539    1.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3774    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6206    1.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7397    0.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1386   -0.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3690   -1.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3069    0.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6449   -0.9390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8394   -0.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8379   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5191   -3.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2110   -1.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0612    0.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5954    0.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  2  0
 15  2  1  0
 15 10  1  0
M  END
$$$$
Mol_80
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -5.6958    0.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5911   -0.7505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1600   -0.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8336    1.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4025    1.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2978    0.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1955    0.7398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7920   -0.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6675   -1.6291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6241   -0.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0552   -1.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2822   -0.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8787   -2.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1758    0.3968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5793    1.7730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0891    1.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
  8 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
 11  3  1  0
 10  6  1  0
 16  7  1  0
M  END
$$$$
Mol_81
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.5833    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8333    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5833   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3333   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4167   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9167   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6667    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9167    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4167    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
M  END
$$$$
Mol_82
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -2.0094    1.6916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3243    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2116   -0.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2159   -0.3203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5308    1.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9583    1.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0710    0.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4985    1.0615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7561   -0.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8688   -1.8716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3286   -1.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7518   -0.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0666   -1.7022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8644    0.7704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  9 11  2  0
  2 12  1  0
 12 13  2  0
 12 14  1  0
 11  4  1  0
M  END
$$$$
Mol_83
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -8.2697   -0.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9462    0.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6731   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3496    0.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0765   -0.3790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7530    0.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4799   -0.4663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8436    0.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -0.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4402    0.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7133   -0.6409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0368    0.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0873    1.5642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3099   -0.7282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
M  END
$$$$
Mol_84
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
  -12.2170   -0.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9049    0.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6193   -0.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3072    0.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0217   -0.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7096    0.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4240   -0.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1119    0.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8263   -0.4178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5142    0.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7714   -0.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0834    0.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3690   -0.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6811    0.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -0.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5644   -0.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8764    0.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9029    1.6253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1620   -0.6473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
M  END
$$$$
Mol_85
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -1.9592   -2.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2446   -1.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6626   -0.5336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9481    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8155    1.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3975    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1120   -0.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3060   -0.5284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4386    0.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8566   -0.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1420   -1.5065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9892    0.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4072    0.4604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
  7  2  1  0
M  END
$$$$
Mol_86
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -1.8419   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5305   -2.4759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5056   -0.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7920   -0.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2261   -0.6444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0875    0.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1857    1.7824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7671    1.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4557    2.0235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8307    1.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1420    1.9803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4284    1.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4034   -0.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6898   -1.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0921   -1.0193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8057   -0.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16  3  1  0
  8  4  1  0
 16 10  2  0
M  END
$$$$
Mol_87
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.8677    0.7778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3891    1.0300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4313   -0.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9521   -1.5310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0474    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5682    1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0468    1.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0046    0.6324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4838   -0.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0051   -1.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4843   -2.4332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10  5  1  0
M  END
$$$$
Mol_88
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
    5.2560   -0.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7805   -0.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8091    0.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3622    1.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1133    1.1629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0847    2.3059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5805    3.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6175   -0.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6462   -1.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8294   -1.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4330   -2.6698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8907   -2.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0048   -0.8204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  6  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 11  4  1  0
 14  9  1  0
M  END
$$$$
Mol_89
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
   -2.7644    1.5127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6888    0.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3537   -0.6690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0940    0.1454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2411   -0.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5007    0.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8359   -0.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9115   -1.9054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0955    0.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0199    1.9053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4307   -0.2764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9484   -0.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2836   -0.1163    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3592    1.3818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5432   -0.9308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
  2 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
M  CHG  2  13   1  15  -1
M  END
$$$$
Mol_90
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -7.3373    1.7974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5018    0.5517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0051    0.6525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3441    1.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8475    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0119    0.8540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5153    0.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3203   -0.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3408   -1.6374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4948   -2.8831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9914   -2.7823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6525   -1.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1491   -1.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.0114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3067    0.1122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1423   -1.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9745    1.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6356    2.6036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    3.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4779    1.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8169   -0.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6730   -0.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1696   -0.5932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8306   -1.9397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9950   -3.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  2  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  2  0
  6 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 23  3  1  0
 21  8  1  0
 21 12  1  0
M  END
$$$$
Mol_91
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -3.8167    0.3097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3340    0.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2785    1.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0613    0.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1662   -1.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0040   -1.9475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4018   -1.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6293    0.0794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4590    1.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6865    2.5004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6466   -1.2510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  5 11  1  0
 11  2  1  0
  9  4  1  0
M  END
$$$$
Mol_92
     RDKit          2D

  6  6  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
M  END
$$$$
Mol_93
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.5981   -1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  2  1  0
M  END
$$$$
Mol_94
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -1.8187   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5196    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5196    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7794   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0785   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
M  END
$$$$
Mol_95
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -4.8226    1.4528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7584    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3108    0.7889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2466   -0.2682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4762   -1.7505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1374   -2.4269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9197   -1.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4179   -1.4361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2306   -0.1753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5451    1.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3577    2.4196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0469    1.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2342   -0.0285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13  4  1  0
 13  7  1  0
M  END
$$$$
Mol_96
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.6660   -1.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4931   -0.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1633   -1.5050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6605   -1.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4876   -0.3443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9849   -0.4349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8175    0.9977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3202    1.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6501    2.4303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1528    2.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3257    1.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9959   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1688   -1.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8389   -2.6658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3285   -1.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9987    0.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9520   -1.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4444    0.5087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6177   -0.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3950   -1.9092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0137    0.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1870   -0.8115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5108    2.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1061    2.5335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1716    1.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 18 23  1  0
 23 24  1  0
 24 25  1  0
  8  2  1  0
 25 11  1  0
 12  2  1  0
 25 16  1  0
M  END
$$$$
Mol_97
     RDKit          2D

 44 49  0  0  0  0  0  0  0  0999 V2000
    1.1008   -5.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3672   -4.5055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1336   -3.2160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6334   -3.2349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -1.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1663   -0.6181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6662   -0.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4325    0.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9324    0.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9220   -0.4938    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2999    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6624   -0.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2495   -0.2894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3874   -1.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7490    1.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4653    3.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6990    1.9608    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1991    1.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.5337    3.4017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.0664    0.8227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8327   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8329   -0.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5993   -1.7941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8657   -3.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3661   -3.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 32 35  2  0
 35 36  1  0
 36 37  1  0
 35 38  1  0
 38 39  1  0
 39 40  1  0
 38 41  2  0
 26 42  1  0
 42 43  1  0
 43 44  1  0
 42  5  1  0
 24  6  1  0
 41 30  1  0
 22  8  1  0
 19  9  2  0
 18 11  1  0
M  END
$$$$
Mol_98
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    4.5609    0.1026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1906    0.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9771   -0.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.6609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6067    0.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4498    1.9327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6067   -0.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4498   -1.9327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9771    0.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1340    1.6609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1906   -0.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5609   -0.1026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
M  END
$$$$
Mol_99
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
    1.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
M  END
$$$$
Mol_100
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
    0.5797   -1.7367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2514   -0.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3548    0.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7865    0.2956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1803    0.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5086    1.6381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2837   -0.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  2  0
  5  7  1  0
M  END
$$$$
Mol_101
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -0.2826   -1.7410    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5402   -0.2633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6108    0.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0193    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2769   -1.2950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1703    1.1447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9487    0.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2062    1.7302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0997   -0.7094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  2  7  1  0
  7  8  2  0
  7  9  1  0
M  END
$$$$
Mol_102
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -5.0637    0.4082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7696   -0.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4657    0.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1716   -0.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1324    0.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4265   -0.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4166   -1.8843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7304    0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7402    1.8571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0245   -0.4014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
M  END
$$$$
Mol_103
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.0949   -3.7186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2008   -2.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8761   -1.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4455   -0.7898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1208    0.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3098    1.1257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4157    0.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2922   -0.8816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5912   -2.3515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2867   -1.1089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7173   -0.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9230   -1.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2987   -0.9521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7304    0.8420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9516    1.7130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3080    1.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8570    2.7486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2267    1.6881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9020    3.1525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6573    1.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7631    2.2505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9820   -0.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4126   -0.6784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
 16  7  1  0
M  END
$$$$
Mol_104
     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -7.1175    3.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8224    2.3524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9484    1.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4012    1.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1060    0.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6848   -0.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3897   -1.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5158   -2.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9685   -2.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5212   -3.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0213   -3.4770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8356   -1.4614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0390   -2.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4162   -1.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5900   -0.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9671    0.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1409    1.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5181    2.4063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9375    2.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5603    2.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3866    0.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1832    1.5184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0094    0.0285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8060    0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5712    0.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7450   -1.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0354   -0.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
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 18 20  1  0
 20 21  1  0
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 22 24  1  0
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 25 26  1  0
 26 27  1  0
 27 28  1  0
 27  9  1  0
 27 12  1  0
 24 13  1  0
 22 16  1  0
M  END
$$$$
Mol_105
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.5837   -0.5153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0855   -0.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2743   -1.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7760   -1.6337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0889   -0.3004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4094   -0.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3480   -1.3988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7508   -0.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0051   -1.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3447   -1.0155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6792    0.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8493    1.5692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2321    1.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7010    2.4283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9001    0.9614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2129    2.2947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3983    0.8897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
  5 15  1  0
 15 16  2  0
 15 17  1  0
 17  2  1  0
 13  6  1  0
M  END
$$$$
Mol_106
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -3.6555    1.1442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8129   -0.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3169    0.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6635    1.3626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8326    1.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860    2.8220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6751    0.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1712    0.3400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0217   -1.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8643   -2.3604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4743   -1.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1277   -2.5788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11  3  1  0
M  END
$$$$
Mol_107
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -4.0444    0.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5865    0.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5520   -0.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0941   -0.3198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3293    1.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7872    1.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8217    0.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3984   -1.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405   -1.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
M  END
$$$$
Mol_108
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -3.1703    1.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0193    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2769   -1.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6108    0.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5402   -0.2633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2826   -1.7410    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9487    0.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2062    1.7302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0997   -0.7094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
M  END
$$$$
Mol_109
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -4.3420   -0.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0029    0.5864    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7480   -0.2354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4089    0.4403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8459   -0.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7616   -1.8791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1851    0.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2694    1.7919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4399   -0.5275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
M  END
$$$$
Mol_110
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -1.2391    1.6805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6184    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5513   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8952   -0.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2745    1.0235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7210    1.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7882    0.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4088   -1.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9624   -1.4819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0649   -0.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4442   -1.6191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1321    0.8862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  2 10  1  0
 10 11  2  0
 10 12  1  0
  9  4  1  0
M  END
$$$$
Mol_111
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -3.8971   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
M  END
$$$$
Mol_112
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.5036   -3.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7321   -2.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6010   -1.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2414   -0.5785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1103    0.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2493    1.5494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4778    0.6887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8375    1.3223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9686    2.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3282    3.4501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0660    0.4616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9349   -1.0327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1634   -1.8933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5753   -1.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4441   -3.1605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3467   -0.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0129   -1.4392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3388    1.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2077    3.2707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6984    1.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9269    2.0035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8295   -0.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1891   -0.9850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
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 16 17  1  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
 16  7  1  0
M  END
$$$$
Mol_113
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -0.9461    1.6947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3100    0.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2317   -0.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2105   -0.3908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3919   -1.3151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6360   -0.4772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2236    0.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7245    1.0184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7522   -0.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1161   -1.6281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8304    0.8698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  2  9  1  0
  9 10  2  0
  9 11  1  0
  8  4  1  0
M  END
$$$$
Mol_114
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -3.2624   -0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9270    0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6677   -0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6677    0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270   -0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2624    0.2097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
M  END
$$$$
Mol_115
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -2.5981    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -1.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
M  END
$$$$
Mol_116
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -2.5981   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
M  END
$$$$
Mol_117
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.9664   -3.1331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7174   -1.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8740   -0.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2795   -1.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4360   -0.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1871    1.2117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7816    1.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250    0.7805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2196    1.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0294    2.7837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9370    0.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6880   -1.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8446   -2.0851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2501   -1.5611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4990   -0.0819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9045    0.4421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3425    0.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5914    2.3525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
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 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 12  2  1  0
  8  3  1  0
 17 11  1  0
M  END
$$$$
Mol_118
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -2.6183   -1.7023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5622   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2360    0.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0341   -0.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1349   -1.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5895   -2.1637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3875   -0.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8654   -0.6369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3820    0.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4207    1.9228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9429    1.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4263    0.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8322    0.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7761    2.0937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1584   -0.1061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
  2 13  1  0
 13 14  2  0
 13 15  1  0
 12  4  1  0
 12  7  1  0
M  END
$$$$
Mol_119
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -5.3876    0.7219    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1204   -0.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1820   -1.5796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7917    0.6152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5245   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    0.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0713   -0.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4001    0.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4617    1.9005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6672   -0.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6056   -1.8997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9960    0.2950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
M  END
$$$$
Mol_120
     RDKit          2D

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.2990    0.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
M  END
$$$$
Mol_121
     RDKit          2D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
M  END
$$$$
Mol_122
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
    3.8716    0.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5116    0.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3795   -1.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2836    0.9223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0764    0.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3639   -1.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8529   -1.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1642   -0.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8767    0.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3877    1.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6594    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7550   -0.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6799    0.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4100   -1.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 10  5  1  0
 12  7  1  0
M  END
$$$$
Mol_123
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -3.2304    1.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7563    1.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2597   -0.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6751   -0.5944    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7630   -1.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7405   -2.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1557    0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4334    1.8729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2935   -0.5786    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7089   -0.0820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8467   -1.0595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9865    1.3921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  3  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
M  END
$$$$
Mol_124
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
    1.8371    1.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4489   -0.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4489   -0.9131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3882   -1.9738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3882    0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8371    1.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  6  7  1  0
M  END
$$$$
Mol_125
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.3944    1.7262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3172    0.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5759   -0.5877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9813   -0.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8850   -1.6511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0408   -1.5519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5026   -1.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5247   -2.3136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9424    0.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4043    0.5545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9204    1.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3602    2.7504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5415    0.9801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13  4  1  0
M  END
$$$$
Mol_126
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -1.7298   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9798   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7298   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9798    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7298    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5202    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2702    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4193    0.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4193   -0.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5202   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10  2  1  0
M  END
$$$$
Mol_127
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -4.2429    0.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7465    0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9084   -0.2509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1523   -1.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0702   -1.4948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6644    0.5873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6835   -0.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9275    0.7672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2753    0.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5193    0.9471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -1.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
M  END
$$$$
Mol_128
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -2.0785    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7794    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
M  END
$$$$
Mol_129
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
    1.7501   -1.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5732   -0.8918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8710   -1.2973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2777   -0.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2171    0.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7729    1.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0590   -0.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6338    0.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1180    0.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0046    2.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
  8  2  1  0
  7  3  1  0
M  END
$$$$
Mol_130
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
    2.6027    0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1027    0.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3452   -1.1308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1548   -1.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8973    0.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1397    1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3602    1.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3973    0.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3273   -0.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5057   -0.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  7  2  1  0
  8  5  1  0
M  END
$$$$
Mol_131
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -2.3942   -2.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9948   -2.3896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7629   -0.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9303    0.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4114   -0.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0949    1.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0362    2.1946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6984    1.5161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2990    2.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8684    1.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2678    1.6546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4353    0.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8346    1.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2033   -0.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8040   -1.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5721   -2.7913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6365   -0.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17  3  1  0
  8  4  1  0
 17 10  2  0
M  END
$$$$
Mol_132
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -3.6459    0.4096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1919    0.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7844   -1.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3305   -1.7718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0770   -3.2154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7159   -0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1699   -1.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2163    0.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8088    1.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3549    1.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3084    0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1455    1.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5530    2.5590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12  2  1  0
 11  6  1  0
M  END
$$$$
Mol_133
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -5.2500   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.4871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.7862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.7862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.4871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 11  6  1  0
M  END
$$$$
Mol_134
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -1.7858    2.6401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3223    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2040    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3223   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7858   -2.6401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1043   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4033   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7024   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7024    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4033    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1043    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  2  1  0
 11  6  1  0
M  END
$$$$
Mol_135
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -3.8971    0.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
M  END
$$$$
Mol_136
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.3690   -1.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1386   -0.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3069    0.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7397    0.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6206    1.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3774    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0539    1.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0793    3.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5954    0.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8394   -0.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6449   -0.9390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8379   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5191   -3.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2110   -1.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0612    0.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 11  4  1  0
 15  9  1  0
M  END
$$$$
Mol_137
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.8254    0.0221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3278    0.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5062   -1.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0086   -1.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8129   -2.3200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6675    0.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1652    0.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8413    1.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9867   -0.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1540    1.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517    1.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  6 10  1  0
 10 11  1  0
 11  2  1  0
M  END
$$$$
Mol_138
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.8254    0.0221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3278    0.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6517    1.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1540    1.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6675    0.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1652    0.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9867   -0.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8413    1.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0086   -1.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8129   -2.3200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5062   -1.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
  9 11  2  0
 11  2  1  0
M  END
$$$$
Mol_139
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.0751    0.8092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0665   -0.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6007    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1434    1.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3224    1.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3310    0.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8737   -0.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4079   -1.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0493   -2.5216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8  3  1  0
M  END
$$$$
Mol_140
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -1.7578    2.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4243    0.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5240   -0.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1905   -1.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7572   -1.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3425   -0.9709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7758   -1.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8756   -0.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5421    1.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1088    1.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0090    0.4916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  2  1  0
 11  6  1  0
M  END
$$$$
Mol_141
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15  2  1  0
  8  3  1  0
 15 10  1  0
M  END
$$$$
Mol_142
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.8971   -0.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.8182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.8182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.3182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 10  3  1  0
M  END
$$$$
Mol_143
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.0000   -1.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.5588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.2598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    2.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.2598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.5588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  8  3  1  0
M  END
$$$$
Mol_144
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -5.2901   -0.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8994    0.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7172   -0.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3265   -0.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1180    1.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2727    1.9425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4549    1.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8456    1.5812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0277    0.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2463   -0.4663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4284   -1.3896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2199   -2.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1444   -1.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  2  0
 13  4  1  0
M  END
$$$$
Mol_145
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -5.2901   -0.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8994    0.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7172   -0.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3265   -0.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1180    1.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2727    1.9425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4549    1.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8456    1.5812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0277    0.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2463   -0.4663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4284   -1.3896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2199   -2.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1444   -1.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  4  5  2  0
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  6  7  2  0
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  7 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  2  0
 13  4  1  0
M  END
$$$$
Mol_146
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    5.5916   -1.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0916   -1.2405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3505    0.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8505    0.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -1.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -1.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1494    0.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6493    0.1047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4082   -1.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9082   -1.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6671   -2.4933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3905    1.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1316    2.6925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3727    3.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1095    1.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
  7 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  2  0
 15  4  1  0
M  END
$$$$
Mol_147
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.7977    0.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3110    0.8699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3951   -0.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9660   -1.7051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0916   -0.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6624    1.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1491    1.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0650    0.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4942   -1.1075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0075   -1.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
M  END
$$$$
Mol_148
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.7977    0.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3110    0.8699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3951   -0.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9660   -1.7051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0916   -0.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6624    1.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1491    1.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0650    0.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4942   -1.1075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0075   -1.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
M  END
$$$$
Mol_149
     RDKit          2D

  9 10  0  0  0  0  0  0  0  0999 V2000
   -2.3055   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3055    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0065    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2925    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7191    1.2135    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6008   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7191   -1.2135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2925   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0065   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  1  1  0
  8  4  1  0
M  END
$$$$
Mol_150
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    1.9486   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6495   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6495   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9486   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9486    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6495    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6495    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9486    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  2  1  0
M  END
$$$$
Mol_151
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.1492   -0.4401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6886   -0.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2542    1.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2064    1.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2325    0.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6931    0.9264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7981   -0.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8243   -1.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -1.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  2  0
  9  2  1  0
M  END
$$$$
Mol_152
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.1492   -0.4401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6886   -0.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2542    1.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2064    1.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2325    0.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6931    0.9264    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7981   -0.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8243   -1.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -1.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  2  0
  9  2  1  0
M  END
$$$$
Mol_153
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
M  END
$$$$
Mol_154
     RDKit          2D

  6  6  0  0  0  0  0  0  0  0999 V2000
    2.3133   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8133   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0684    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4949    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4949   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0684   -1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  2  1  0
M  END
$$$$
Mol_155
     RDKit          2D

  6  6  0  0  0  0  0  0  0  0999 V2000
    2.3133   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8133   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0684    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4949    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4949   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0684   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  2  1  0
M  END
$$$$
Mol_156
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -2.8157    0.4537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7770   -0.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3205   -0.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8257   -1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1002   -0.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    1.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2456    1.1191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  3  1  0
M  END
$$$$
Mol_157
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -2.8157    0.4537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7770   -0.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3205   -0.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8257   -1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1002   -0.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    1.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2456    1.1191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  3  1  0
M  END
$$$$
Mol_158
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.3052   -0.8467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9481   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6673    1.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    1.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4598    0.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -0.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4269   -1.6003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9132    0.9519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6334   -0.9301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9  2  1  0
M  END
$$$$
Mol_159
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.5833   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8333    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5833    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3333   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4167   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9167   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6667    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9167    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4167    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
M  END
$$$$
Mol_160
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.6139   -3.4784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8547   -2.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7451   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3948   -0.4864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2852    1.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0651    1.6627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3059    0.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6563    1.4730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2474    1.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3569    2.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7875   -0.8659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0283   -1.7087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4372   -1.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3276   -3.0150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1964   -0.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1540   -1.3293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5260    1.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.3485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8764    1.1993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1172    2.0422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9859   -0.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3362   -0.9498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
 16  7  1  0
M  END
$$$$
Mol_161
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -4.6042    0.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1132    0.8635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2255   -0.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8289   -1.7189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7346   -0.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1312    1.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597    1.3561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9630    2.7294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2474    0.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7384    0.3111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6441   -1.2264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5318   -2.4355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1531   -1.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  2  0
 13  5  1  0
M  END
$$$$
Mol_162
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.0172   -1.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4629   -0.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3929    1.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9787    0.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4244    1.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0599    1.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9898    0.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4740    0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4355   -0.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3655   -2.0413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0487   -1.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
 11  4  1  0
M  END
$$$$
Mol_163
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1862    0.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6933    0.9240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -0.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4412   -1.6618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3278   -0.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2926    1.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7855    1.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6580    0.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1509    0.2860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0376   -1.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5446   -1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11  5  1  0
M  END
$$$$
Mol_164
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  1  0
  9 10  2  0
 10  2  1  0
M  END
$$$$
Mol_165
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  2  0
  9 10  1  0
 10  2  1  0
M  END
$$$$
Mol_166
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10  2  1  0
M  END
$$$$
Mol_167
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  1  0
  9 10  2  0
 10  2  1  0
M  END
$$$$
Mol_168
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.0000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10  4  1  0
M  END
$$$$
Mol_169
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -3.0851    0.4695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0677   -0.6327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6045   -0.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1586    1.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3047    1.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3221    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8762   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4129   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
M  END
$$$$
Mol_170
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.4974    0.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3282   -0.6586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9298   -0.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7008    1.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7606   -1.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6378   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8669    0.9699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652    1.5127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4345    0.5731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2054   -0.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8070   -1.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
M  END
$$$$
Mol_171
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -3.8971   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
M  END
$$$$
Mol_172
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -4.6765    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3775    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0785    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0785   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7794    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1177   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1177   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
M  END
$$$$
Mol_173
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -4.7844    0.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3313   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9270   -1.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2825    0.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8294    0.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2195    1.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6726    1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7214    2.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0769   -0.4099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5300   -0.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9343   -2.2266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
M  END
$$$$
Mol_174
     RDKit          2D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.9796   -0.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5994    0.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5994   -0.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9796    0.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
M  END
$$$$
Mol_175
     RDKit          2D

  4  3  0  0  0  0  0  0  0  0999 V2000
    2.0722   -0.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6302    0.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8119    0.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8905   -0.4723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  1  0
M  END
$$$$
Mol_176
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.8748   -0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4825    0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3029   -0.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0893   -0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2689   -0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3020    1.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
M  END
$$$$
Mol_177
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.8748   -0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4825    0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3029   -0.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0893   -0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2689   -0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3020    1.4551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
M  END
$$$$
Mol_178
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
    2.2689    0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0893    0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3020   -1.4551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3029    0.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4825   -0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8748    0.2197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
M  END
$$$$
Mol_179
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -2.5981   -0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.3929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
M  END
$$$$
Mol_180
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9  2  1  0
M  END
$$$$
Mol_181
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9  2  1  0
M  END
$$$$
Mol_182
     RDKit          2D

  5  5  0  0  0  0  0  0  0  0999 V2000
    1.2760   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  1  2  0
M  END
$$$$
Mol_183
     RDKit          2D

  5  5  0  0  0  0  0  0  0  0999 V2000
    1.2760   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  1  2  0
M  END
$$$$
Mol_184
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -4.2551   -0.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8948    0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6672   -0.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069    0.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207   -0.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2810   -0.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5085   -0.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    1.4796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
M  END
$$$$
Mol_185
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -3.2624   -0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9270    0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6677   -0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6677    0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270   -0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2624    0.2097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
M  END
$$$$
Mol_186
     RDKit          2D

  6  6  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
M  END
$$$$
Mol_187
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -6.1616   -0.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8233    0.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5675   -0.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2291    0.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9733   -0.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3650    0.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6208   -0.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9591    0.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417    1.5395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2149   -0.7786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5533   -0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
M  END
$$$$
Mol_188
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -3.8971   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
M  END
$$$$
Mol_189
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -5.1962   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
M  END
$$$$
Mol_190
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
    6.2482    0.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9759   -0.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6517    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3793   -0.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0551    0.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2172   -0.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5414    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8137   -0.6431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1379    0.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1898    1.5606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4102   -0.7330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
M  END
$$$$
Mol_191
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -6.9435   -0.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6127    0.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3480   -0.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0171    0.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7524   -0.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4216    0.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8431   -0.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1740    0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4387   -0.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7695    0.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0342   -0.7670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8357    1.5381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
M  END
$$$$
Mol_192
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -6.4952   -0.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    0.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952   -0.3409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
M  END
$$$$
Mol_193
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
  -11.4939   -0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1786    0.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8964   -0.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5812    0.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2990   -0.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9837    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7015   -0.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3863    0.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1041   -0.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2111    0.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4933   -0.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8086    0.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0908   -0.5639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4060    0.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6882   -0.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0035    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0365    1.5997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2857   -0.6784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6009    0.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
M  END
$$$$
Mol_194
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -7.1488   -0.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8407    0.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5509   -0.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2428    0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9530   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6449    0.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6449   -0.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9530    0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2428   -0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5509    0.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8407   -0.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1488    0.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
M  END
$$$$
Mol_195
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -7.1488   -0.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8407    0.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5509   -0.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2428    0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9530   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6449    0.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6449   -0.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9530    0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2428   -0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5509    0.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8407   -0.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1488    0.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
M  END
$$$$
Mol_196
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -7.1488   -0.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8407    0.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5509   -0.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2428    0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9530   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6449    0.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6449   -0.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9530    0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2428   -0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5509    0.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8407   -0.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1488    0.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
M  END
$$$$
Mol_197
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -7.7942   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942   -0.3462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
M  END
$$$$
Mol_198
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -7.7942   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942   -0.3462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
M  END
$$$$
Mol_199
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
   -9.0933   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933   -0.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
M  END
$$$$
Mol_200
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.1651    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4330   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3170   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1830    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
M  END
$$$$
Mol_201
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.9595   -1.9381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1530   -0.4506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8117   -1.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6529   -0.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1017    0.9962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8791    1.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6748    0.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2435    1.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2260   -0.4602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1957   -0.9384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    0.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241    1.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7425   -0.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8675    0.5676    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2892    0.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7109   -0.3889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4486   -1.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  3  0
  9 17  1  0
  7  2  1  0
 17  4  1  0
M  END
$$$$
Mol_202
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -3.4179    2.3443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9319    2.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3663    0.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7555    0.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0230    1.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075    0.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5967    0.9613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7812    0.0409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1705    0.6066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5765   -1.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8006   -0.6390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7209   -1.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1553   -3.2128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2069   -1.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
  3 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
M  END
$$$$
Mol_203
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -1.8187   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5196    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5196    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7794   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0785   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
M  END
$$$$
Mol_204
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.2500    0.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.8558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    0.5567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
M  END
$$$$
Mol_205
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.4924   -3.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2624   -2.4447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5325   -1.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9673   -1.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6971    0.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1969    0.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9669   -1.0646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9268    1.5331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9271    1.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5727    1.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3427    2.7509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8425    2.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3025    0.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8023    0.1299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5322   -1.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  2  0
 13 14  1  0
 14 15  1  0
 13  3  1  0
M  END
$$$$
Mol_206
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -4.3453   -0.9317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583   -1.7021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7476   -0.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4605   -1.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8502   -1.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1373   -1.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4479   -1.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4715    0.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7822    1.1749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1845    1.2158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8738    0.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4133    1.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7240    0.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0110    1.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9874    2.7974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 13  3  1  0
 11  5  2  0
M  END
$$$$
Mol_207
     RDKit          2D

 14 16  0  0  0  0  0  0  0  0999 V2000
   -3.8971   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  1  1  0
 13  4  1  0
 11  6  1  0
M  END
$$$$
Mol_208
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.8249    1.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8110    0.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3467    0.4768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3329   -0.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7834   -2.0595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1314   -0.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5819    1.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0462    1.4525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0601    0.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244    0.6723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6096   -1.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1453   -1.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12  6  1  0
M  END
$$$$
Mol_209
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -4.4719   -0.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1214   -1.1548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8808   -0.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9907    1.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7501    2.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6004    1.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8410    2.2177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103   -0.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0608   -0.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4079   -2.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7136    0.5763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4113   -1.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5303   -0.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
  8 13  2  0
 13  3  1  0
M  END
$$$$
Mol_210
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.2123   -2.7888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5001   -1.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3692   -0.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0497   -0.8182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1807    0.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5995   -0.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8873   -1.7918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7305    0.6657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8928    1.6393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5260    2.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6570    1.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0758    1.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11  3  1  0
M  END
$$$$
Mol_211
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.0000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10  4  1  0
M  END
$$$$
Mol_212
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -3.7500   -2.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.7423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.0413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -2.0413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.7423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -2.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 10  5  1  0
M  END
$$$$
Mol_213
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
    5.3719    0.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1120   -0.1984    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7771    0.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5172   -0.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5922   -1.8265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1823    0.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1073    1.8538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0776   -0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0026   -1.9564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125    0.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4876    1.7239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6724   -0.5883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0074    0.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
M  END
$$$$
Mol_214
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -3.8981    1.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0570   -0.1193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5608   -0.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9058    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5903    1.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2454    2.7944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7415    2.9018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4314    0.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7764   -1.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6175   -2.3884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1137   -2.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7197   -1.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3748   -2.6033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  5  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  2  0
 12 13  1  0
 12  3  1  0
M  END
$$$$
Mol_215
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
    2.2500    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
M  END
$$$$
Mol_216
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.2771    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5271    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2771   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0271   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2771   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2229   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9729    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1220   -0.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1220    0.9642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2229    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2771    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  1  0
 11  4  1  0
M  END
$$$$
Mol_217
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.9158    0.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4534    0.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   -0.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9709   -0.3425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5285    1.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9340    1.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9540    0.3245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4165    0.6580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4365   -0.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5116   -1.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0492   -1.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  2  0
 11  4  1  0
M  END
$$$$
Mol_218
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
   -8.4330    0.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1514   -0.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1856   -1.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8356    0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5540   -0.2712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2382    0.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2040    1.9486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9566   -0.3305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6408    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9566    0.3305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5540    0.2712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8356   -0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1514    0.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4330   -0.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1856    1.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
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 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
M  END
$$$$
Mol_219
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -4.7844    0.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3313   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9270   -1.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6726    1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7214    2.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0769   -0.4099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5300   -0.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9343   -2.2266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
M  END
$$$$
Mol_220
     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
   -4.0981   -0.9706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.9706    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
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   -1.2990    1.2794    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -0.5490   -0.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    2.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.2794    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    2.0490    2.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5490   -0.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.5294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.9706    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    4.0981   -0.9706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5981   -2.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 14 17  1  0
M  END
$$$$
Mol_221
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.8748   -0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4825    0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3029   -0.5880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0893   -0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2689   -0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3020    1.4551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
M  END
$$$$
Mol_222
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
   -4.6484   -2.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8425   -0.9702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2280    1.6907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6560    0.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2516    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8472   -0.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1777    0.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7819   -1.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
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  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
M  END
$$$$
Mol_223
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -4.2551   -0.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8948    0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6672   -0.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9207   -0.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2810   -0.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    1.4796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5085   -0.8766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
M  END
$$$$
Mol_224
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -5.6074   -0.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2653    0.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0141   -0.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6720    0.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9213    0.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1725   -0.6578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5146    0.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7658   -0.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6055    1.5094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
M  END
$$$$
Mol_225
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -5.8514   -0.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5393    0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9416    0.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6560   -0.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6560    0.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2537    0.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5393   -0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8514    0.2717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
M  END
$$$$
Mol_226
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -3.5525    1.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1437    1.6634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6740    2.6934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3075   -1.2243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9748    0.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1252   -0.1944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  3  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
M  END
$$$$
Mol_227
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.4653    0.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5353   -0.5163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1211   -1.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9  3  1  0
M  END
$$$$
Mol_228
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.9403    0.4737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9317   -0.6366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4573   -1.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  5  6  2  0
  6  7  1  0
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  6  9  1  0
  9 10  2  0
 10  3  1  0
M  END
$$$$
Mol_229
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -6.0000    0.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2500   -0.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
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  6  7  1  0
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  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
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M  END
$$$$
Mol_230
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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   -0.0175    1.5269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0030    2.6262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4798    1.8610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 10 19  1  0
 19 20  1  0
 19 21  1  0
  8  2  1  0
 18 11  1  0
 21  6  1  0
M  END
$$$$
Mol_231
     RDKit          2D

 16 19  0  0  0  0  0  0  0  0999 V2000
   -3.9180   -0.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9559    0.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6762    1.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3586    0.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3207   -0.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6004   -1.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1171   -1.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7617   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2569   -2.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1077   -1.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631   -0.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0548    1.3393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2722    2.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7727    2.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0558    1.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9678    0.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
  6  1  1  0
 16  7  1  0
 15  4  1  0
 16 11  1  0
M  END
$$$$
Mol_232
     RDKit          2D

  9 10  0  0  0  0  0  0  0  0999 V2000
   -2.3055   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3055    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0065    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2925    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7191    1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6008   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7191   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2925   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0065   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  1  1  0
  8  4  1  0
M  END
$$$$
Mol_233
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
    2.7119   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0611    1.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5987    1.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5740    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0006    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8823    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0006   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5740   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5987   -1.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0611   -1.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  1  1  0
  8  4  1  0
M  END
$$$$
Mol_234
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5981   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15  2  1  0
  8  3  1  0
 15 10  1  0
M  CHG  1   2   1
M  END
$$$$
Mol_235
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -3.9100   -1.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4738   -0.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4986    1.0055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0128    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5766    1.6851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9880   -0.8454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4730   -0.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9092    0.9296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3702    1.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3950    0.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8560    0.5140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9588   -1.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4978   -1.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13  7  1  0
M  END
$$$$
Mol_236
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -3.8971   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
M  END
$$$$
Mol_237
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -0.3363   -2.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6629   -0.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0393   -0.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8975    1.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4335    1.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9429    0.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8011   -0.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3295    0.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    0.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5815   -0.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  8 10  1  0
  7  2  1  0
  8  2  1  0
M  END
$$$$
Mol_238
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.0821   -1.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0374    0.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4472    1.4787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5829   -0.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0245   -1.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2309    0.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2803    1.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2163    1.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5686    0.6305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  7 11  1  0
 10  4  1  0
 11  4  1  0
M  END
$$$$
Mol_239
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -3.6581   -1.7603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2919   -0.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3685    0.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4028    2.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4794    1.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5561    0.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1899   -1.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7470   -1.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6704   -0.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7724   -0.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15  4  1  0
 14  7  1  0
M  END
$$$$
Mol_240
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -4.9064   -0.5072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6719   -1.3592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3167   -0.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1961    0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3935    0.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8693    2.7085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9832    0.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8626   -1.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0971   -1.9858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0822   -1.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
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  8 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15  3  1  0
 14  7  1  0
M  END
$$$$
Mol_241
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.1754   -3.2359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3657   -1.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3265   -1.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5138    2.3859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 20  2  0
 20  2  1  0
  9  3  1  0
 20 12  1  0
M  END
$$$$
Mol_242
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -5.8961   -2.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8413   -1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2376    0.0639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3903   -1.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3356   -0.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8845   -1.0767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1702   -0.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2260    1.4366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5663    2.1102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3398    3.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1404    3.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8288    2.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2798    2.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1270    0.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5233   -1.1507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4685   -2.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8648   -3.6640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0175   -1.8371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6213   -0.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20  7  1  0
 12  8  1  0
 20 14  2  0
M  END
$$$$
Mol_243
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    5.0866    0.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6630    0.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5418    1.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1182    1.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0030    2.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4265    1.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7288    0.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6076   -0.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9099   -2.3971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3334   -2.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8160   -0.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9372   -1.4514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6349   -2.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2195   -0.0980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8386    1.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7304    2.2793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  2  0
 11 12  1  0
 12 13  1  0
  7 14  1  0
 14 15  1  0
 15 16  1  0
 11  4  1  0
 16  6  1  0
M  END
$$$$
Mol_244
     RDKit          2D

 14 16  0  0  0  0  0  0  0  0999 V2000
   -2.7295   -2.2346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2423   -0.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2274    0.3153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7402    1.7340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2680    2.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2830    0.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7701   -0.5285    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2149   -1.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6871   -1.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1593   -1.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6465    0.3338    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6614    1.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1892    1.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7021   -0.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
  7  2  1  0
 14  9  1  0
 13  6  1  0
M  END
$$$$
Mol_245
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -5.5053    0.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0449    0.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0181   -0.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5577   -0.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1242    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3362    1.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7697    2.8491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2301    3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3630    0.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8234    0.6623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8502   -0.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9295   -1.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9563   -2.2097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5228   -3.6457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5309   -1.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  6  9  2  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  2  0
 15  4  1  0
M  END
$$$$
Mol_246
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.5157   -0.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0609   -0.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0170   -1.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4378   -1.2294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4817   -2.3065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8486    0.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3034    0.5787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7142    2.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3474   -0.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1953    1.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501    0.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6940    2.0019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  6 10  2  0
 10 11  1  0
 11 12  2  0
 11  2  1  0
M  END
$$$$
Mol_247
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.7977    0.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3110    0.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3951   -0.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9660   -1.7051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0916   -0.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6624    1.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1491    1.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0650    0.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4942   -1.1075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0075   -1.3067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  5  1  0
M  END
$$$$
Mol_248
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.9197   -1.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8615   -0.5809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2529    0.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1946    1.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2551    1.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6466    0.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0963   -0.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1546    0.7752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4878   -1.7359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4117   -0.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  6 10  1  0
 10  2  1  0
M  END
$$$$
Mol_249
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.4740   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9898   -0.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0599   -1.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4244   -1.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9787   -0.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4629    0.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0172    1.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3929   -1.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0487    1.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4355    0.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3655    2.0413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  1  0
  9 10  2  0
 10 11  1  0
 10  2  1  0
M  END
$$$$
Mol_250
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -2.7856   -2.7858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7779   -1.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0731   -0.5291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0654    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625    1.7142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4674    0.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1645    1.7009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1307    0.9442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1230   -0.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4182   -1.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7210   -0.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0162   -1.3257    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7287    0.9309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4336    1.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750   -0.5424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
  6 15  2  0
 15  2  1  0
 14  8  1  0
M  END
$$$$
Mol_251
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
   -8.3427    0.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8518    0.5506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2488    1.9241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9638   -0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4728   -0.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5848   -1.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0939   -1.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2059   -2.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4909   -0.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6029    1.3735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0939    1.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6968    2.9115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9819    0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4728    0.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3608   -0.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8518   -0.5506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7398   -1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4547    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
M  END
$$$$
Mol_252
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
    8.8076    1.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8866    0.0892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4008    0.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8359    1.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4798   -0.8893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9940   -0.6837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0730   -1.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5872   -1.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6662   -2.8461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0223   -0.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4353    0.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9211    0.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8420   -0.6343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3279   -0.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2488   -1.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8928    0.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
M  END
$$$$
Mol_253
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
   11.5495    0.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2613   -0.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9516    0.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6635   -0.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3538    0.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0657   -0.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7560    0.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4679   -0.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1582    0.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1299   -0.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4396    0.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7277   -0.5128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0374    0.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3256   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6352    0.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9234   -0.5873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2330    0.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2545    1.6439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5212   -0.6245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
M  END
$$$$
Mol_254
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
    0.8833    0.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6682   -0.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0441    0.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1147   -0.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7353    0.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2888    1.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7783    0.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2248    0.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2919   -0.4815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3989   -1.2756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0476   -1.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 10  2  1  0
 11  4  1  0
M  END
$$$$
Mol_255
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -6.2145   -0.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9455   -1.4166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6183   -0.7175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5602    0.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2331    1.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750    2.9794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9641    0.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0222   -0.8181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3493   -1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2468   -1.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1887   -3.1168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5739   -0.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8429   -1.7186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1700   -1.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4390   -1.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2282    0.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9592    1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0173    2.7780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6320    0.5801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3630    1.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4212    2.8787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  2  0
  9  3  1  0
 19 12  1  0
 20  7  1  0
M  END
$$$$
Mol_256
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -3.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 10 14  1  0
 14 15  1  0
 15  2  1  0
 14  5  1  0
M  END
$$$$
Mol_257
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.9155    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5405    0.6129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3338    1.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9588    0.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2479    1.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6229    1.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8296    2.0863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6615    3.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7910   -0.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5843   -1.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7906   -0.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9974   -1.4773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -2.9679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0587   -2.6090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5586   -2.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0113   -1.1675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  6  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 10 14  1  0
 14 15  1  0
 15 16  1  0
 11  4  1  0
 16  9  1  0
M  END
$$$$
Mol_258
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.2500   -1.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -1.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -1.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000   -0.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000   -0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500    0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    1.9486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    1.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500    3.2476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  3  0
 10  3  2  0
M  END
$$$$
Mol_259
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -2.9680   -1.7814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9934   -0.2816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3050    0.4462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7073    0.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7328    1.9901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3957   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3703   -1.7373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8904    0.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8649    2.0342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2020   -0.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2274   -1.6932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4881    0.5785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7997   -0.1493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
M  END
$$$$
Mol_260
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    0.4166   -2.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3975   -1.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8956   -1.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7096    0.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0255    1.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5274    1.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2866    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7848    0.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4688    1.6844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5988   -0.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  7  2  1  0
M  END
$$$$
Mol_261
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.9643   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7143   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9643   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5357   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2857   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7857   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5357   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5357    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5357    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9643    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7143    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9643    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7143    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2143    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  2  0
 13 14  1  0
 13  3  1  0
M  END
$$$$
Mol_262
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
    9.4322   -1.6219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4061   -0.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6919    0.6503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0942    0.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8084   -0.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4965    0.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2107   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8989    0.5148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6131   -0.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3012    0.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9846   -0.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9585   -1.8027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2965    0.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3226    1.9242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5823   -0.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8942    0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1800   -0.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4919    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7777   -0.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0896    0.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3754   -0.4836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
M  END
$$$$
Mol_263
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.9197   -1.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8615   -0.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2529    0.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1946    1.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2551    1.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6466    0.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0963   -0.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4878   -1.7359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1546    0.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4117   -0.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  6 10  2  0
 10  2  1  0
M  END
$$$$
Mol_264
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -4.2551   -0.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8948    0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6672   -0.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069    0.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207   -0.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2810   -0.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5085   -0.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    1.4796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
M  END
$$$$
Mol_265
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
   -9.5895   -0.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2710    0.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9923   -0.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6739    0.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3951   -0.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0767    0.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7980   -0.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4795    0.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7992   -0.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1176    0.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3964   -0.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7148    0.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9935   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3120    0.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3517    1.5872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5907   -0.6964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
M  END
$$$$
Mol_266
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
   -9.7451   -0.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4410    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1471   -0.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8430    0.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5491   -0.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2450    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9511   -0.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6469    0.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6469   -0.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9511    0.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2450   -0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5491    0.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8430   -0.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1471    0.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4410   -0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7451    0.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
M  END
$$$$
Mol_267
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10  2  1  0
M  END
$$$$
Mol_268
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.7861   -0.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3069   -0.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3519   -1.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1274   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6516    0.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6249    1.5175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9446   -0.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2496    0.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9327   -1.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3034    1.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7826    1.2842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  5 10  1  0
 10 11  1  0
 11  2  1  0
M  END
$$$$
Mol_269
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
    1.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
M  END
$$$$
Mol_270
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10  2  1  0
M  END
$$$$
Mol_271
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.4016   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9174   -0.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3631    1.2595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1211    1.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0511    0.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5353    0.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653   -0.6606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4968   -1.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9874   -1.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  2  0
  9  2  1  0
M  END
$$$$
Mol_272
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.2689    0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0893    0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3020   -1.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3029    0.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4825   -0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8748    0.2197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
M  END
$$$$
Mol_273
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.6401   -0.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135   -0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6401   -0.6127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  2  1  0
M  END
$$$$
Mol_274
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.6401   -0.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135   -0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6401   -0.6127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  2  1  0
M  END
$$$$
Mol_275
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
    3.1182    0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9843   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2678   -1.4730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5669    0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5669   -0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9843    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2678    1.4730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1182   -0.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
M  END
$$$$
Mol_276
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
    3.5140    0.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2602   -0.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9202    0.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3336   -0.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6736    0.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9274   -0.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7598    1.5085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
M  END
$$$$
Mol_277
     RDKit          2D

  6  6  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
M  END
$$$$
Mol_278
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -3.8971   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
M  END
$$$$
Mol_279
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
  -11.0437   -0.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7406    0.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4456   -0.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1426    0.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8476   -0.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5446    0.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2496   -0.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9465    0.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6515   -0.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6515    0.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9465   -0.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2496    0.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5446   -0.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8476    0.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1426   -0.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4456    0.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7406   -0.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0437    0.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
M  END
$$$$
Mol_280
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -2.7865    0.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3548    0.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2514   -0.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5797   -1.7367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1803    0.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2837   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5086    1.6381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  5  7  2  0
M  END
$$$$
Mol_281
     RDKit          2D

  6  6  0  0  0  0  0  0  0  0999 V2000
    2.3133   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8133   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0684    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4949    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4949   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0684   -1.2135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  2  1  0
M  END
$$$$
Mol_282
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    3.1392   -0.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6908   -0.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1551    1.2891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429    1.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7331   -0.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1342   -0.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2986    0.1741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5238   -1.0544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  5  8  1  0
  8  2  1  0
M  END
$$$$
Mol_283
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.8075    0.9582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8657   -0.2093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3838    0.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8436    1.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6384    1.6538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5802    0.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0622    0.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0039   -0.4494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0400   -0.9131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4420   -1.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9822   -2.5443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 10  3  1  0
M  END
$$$$
Mol_284
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    5.4450    0.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1782   -0.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8492    0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5824   -0.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2534    0.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0134   -0.6426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3425    0.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4047    1.5516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6093   -0.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9383   -0.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
M  END
$$$$
Mol_285
     RDKit          2D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.9796   -0.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5994    0.4508    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5994   -0.4508    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9796    0.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
M  END
$$$$
Mol_286
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.8748   -0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4825    0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3029   -0.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0893   -0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2689   -0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3020    1.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
M  END
$$$$
Mol_287
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.2689    0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0893    0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3020   -1.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3029    0.5880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4825   -0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8748    0.2197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
M  END
$$$$
Mol_288
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
    3.5140    0.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2602   -0.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9202    0.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3336   -0.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6736    0.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9274   -0.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7598    1.5085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
M  END
$$$$
Mol_289
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
    4.8948    0.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6312   -0.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2994    0.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0358   -0.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2960    0.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5596   -0.6549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8913    0.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1550   -0.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9595    1.5338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
M  END
$$$$
Mol_290
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -5.6074   -0.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2653    0.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0141   -0.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6720    0.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9213    0.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1725   -0.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5146    0.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7658   -0.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6055    1.5094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
M  END
$$$$
Mol_291
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
    4.5553   -0.2480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2359    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9583   -0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6388    0.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6388   -0.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2359   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5553    0.2480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
M  END
$$$$
Mol_292
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -7.7942   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
M  END
$$$$
Mol_293
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -8.4468   -0.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1411    0.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8488   -0.3228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5431    0.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2508   -0.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9451    0.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6528   -0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6528    0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9451   -0.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2508    0.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5431   -0.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    0.3228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1411   -0.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4468    0.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
M  END
$$$$
Mol_294
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
   -9.0933   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
M  END
$$$$
Mol_295
     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
  -10.3923   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0933    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
M  END
$$$$
Mol_296
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -3.9575    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1887    0.0620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6889    0.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9578    1.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5420    1.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3108    0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8106    0.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417    1.4588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5794   -1.1390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5797   -1.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9201   -1.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6512   -2.5140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  6 10  1  0
 10 11  2  0
 11 12  1  0
 11  3  1  0
M  END
$$$$
Mol_297
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -2.5981    1.7143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    0.2143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -2.0357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.7143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -2.0357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.7143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.2143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
M  END
$$$$
Mol_298
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
    6.2482    0.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9759   -0.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6517    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3793   -0.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0551    0.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2172   -0.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5414    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8137   -0.6431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1379    0.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4102   -0.7330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1898    1.5606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
M  END
$$$$
Mol_299
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -1.6317   -1.9374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6317   -1.9374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135    0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6401    1.1663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135    0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6401    1.1663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8  2  1  0
M  END
$$$$
Mol_300
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -5.6074   -0.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2653    0.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0141   -0.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6720    0.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9213    0.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1725   -0.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5146    0.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7658   -0.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6055    1.5094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
M  END
$$$$
Mol_301
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.5714    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0714   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1786   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9286    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1786    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
M  END
$$$$
Mol_302
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -5.2771    1.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2491    0.0473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7891    0.3914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7612   -0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1932   -2.1374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3012   -0.3570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1309    1.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5909    1.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0230    2.8599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6189    0.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0789    0.6752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1868   -1.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2148   -2.1977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7268   -1.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  2  0
 14  6  1  0
M  END
$$$$
Mol_303
     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
   10.2334    0.4419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9475   -0.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6357    0.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3498   -0.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0380    0.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7521   -0.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4403    0.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1544   -0.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1574    0.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4432   -0.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7551    0.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0409   -0.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3528    0.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6386   -0.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9504    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9764    1.6269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2363   -0.6453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
M  END
$$$$
Mol_304
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -2.8157    0.4537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7770   -0.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3205   -0.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8257   -1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1002   -0.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    1.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2456    1.1191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  3  1  0
M  END
$$$$
Mol_305
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.2045   -3.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8488   -1.9956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0021   -0.7603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4973   -0.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3482    0.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8435    0.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7039    1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2086    1.8295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6423    0.5942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1375    0.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9884   -0.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7819    2.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
  9  3  1  0
M  END
$$$$
Mol_306
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -6.4952   -0.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    0.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952   -0.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
M  END
$$$$
Mol_307
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -8.4468   -0.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1411    0.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8488   -0.3228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5431    0.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2508   -0.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9451    0.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6528   -0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6528    0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9451   -0.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2508    0.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5431   -0.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    0.3228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1411   -0.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4468    0.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
M  END
$$$$
Mol_308
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -1.5512    3.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6269    2.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7994    2.5319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1906    1.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8957    0.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0112   -0.3558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5849   -0.8203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2901   -2.1443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4036   -1.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0955   -1.6935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2110   -0.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    0.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9061    0.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6962   -0.9004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4864   -2.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1815   -1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 12  2  1  0
  7  5  1  0
 14 11  1  0
M  END
$$$$
Mol_309
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
    1.7076    1.0037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5929    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7076   -1.0037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2888    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7153    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7153   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2888   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
M  END
$$$$
Mol_310
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    1.0663   -2.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -0.7412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9944    0.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3679    1.6386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1219    1.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4162   -0.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7791   -0.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0031    0.2339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  2  1  0
M  END
$$$$
Mol_311
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.2975   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5475   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2975    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0475   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8342    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2608    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2608   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8342   -1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  4  1  0
M  END
$$$$
Mol_312
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4269   -1.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9333   -0.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    0.9519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4598    0.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1792    1.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6673    1.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9481   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3052   -0.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6334   -0.9301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9  4  1  0
M  END
$$$$
Mol_313
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -1.6762   -1.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2573   -0.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1764    0.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3330    1.9740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1074    1.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1541    0.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0264    0.3697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1719   -0.5988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1093    1.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1830   -0.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6908   -2.2822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  2  0
  6  2  1  0
 10  2  1  0
M  END
$$$$
Mol_314
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.9545    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4545   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7045   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2045   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0455   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0455    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5455   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2045    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7045    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  5 10  1  0
 10 11  2  0
 11  2  1  0
M  END
$$$$
Mol_315
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -4.0312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    1.2187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.2187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8971   -0.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16  3  1  0
  9  4  1  0
 16 11  1  0
M  END
$$$$
Mol_316
     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -8.5635   -0.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1017    0.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6623    1.4353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0794   -1.0966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6176   -0.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7164    1.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6941   -0.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2323    0.2495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7900   -0.8482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2517   -0.5117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6912    0.9225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1530    1.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1753    0.1614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6370    0.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6593   -0.5998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1211   -0.2633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2199   -2.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6689    2.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2071    1.6837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1336   -1.5212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5953   -1.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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 10 11  1  0
 11 12  1  0
 12 13  1  0
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 16 18  1  0
 12 19  1  0
 19 20  1  0
  8 21  1  0
 21 22  2  0
 22  5  1  0
 20  9  1  0
M  END
$$$$
Mol_317
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
    2.6027    0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1027    0.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3452   -1.1308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1548   -1.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5057   -0.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  8  9  1  0
  8 10  1  0
  7  2  1  0
  8  5  1  0
M  END
$$$$
Mol_318
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -4.6421   -0.6311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0295   -2.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4890    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
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  9 10  1  0
 10 11  1  0
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 13 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
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 22 23  2  0
 23 24  1  0
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 25 26  1  0
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 27 28  1  0
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 28 30  2  0
 30  2  1  0
  9  3  1  0
 20 11  1  0
 30 22  1  0
M  END
$$$$
Mol_319
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.8748   -0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4825    0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3029   -0.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0893   -0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2689   -0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3020    1.4551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
M  END
$$$$
Mol_320
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
M  END
$$$$
Mol_321
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -5.8514   -0.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5393    0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2537   -0.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9416    0.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6560   -0.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6560    0.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9416   -0.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2537    0.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5393   -0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8514    0.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
M  END
$$$$
Mol_322
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
   -7.7942   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952    0.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952    0.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  3  5  1  0
  5  6  1  0
  6  7  1  0
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  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
M  END
$$$$
Mol_323
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -7.5780    0.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3647   -0.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9942    0.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7809   -0.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4104    0.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1733   -0.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7571   -0.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9142    1.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2847    1.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4980    0.8214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9704   -1.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  3  4  1  0
  4  5  1  0
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  6  7  1  0
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 10 11  1  0
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 13 14  2  0
 14  9  1  0
M  END
$$$$
Mol_324
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.9545    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4545   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7045   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2045   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0455   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0455    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5455   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2045    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7045    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
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  6  7  1  0
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  5 10  1  0
 10 11  1  0
 11  2  1  0
M  END
$$$$
Mol_325
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
   10.7358    0.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4729   -0.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1406    0.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8776   -0.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2823   -0.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500    0.2618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6870   -0.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9083   -0.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.8330    1.9684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 15 17  1  0
 17 18  1  0
M  END
$$$$
Mol_326
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -3.0851    0.4695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0677   -0.6327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6045   -0.3028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4129   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
M  END
$$$$
Mol_327
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
   -9.7451   -0.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4410    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4410   -0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7451    0.3086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 14 15  1  0
 15 16  2  0
M  END
$$$$
Mol_328
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -3.4921   -0.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0414   -0.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  9  1  0
  9 10  1  0
 10  2  1  0
 10  5  1  0
M  END
$$$$
Mol_329
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.6042   -1.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3906   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0360   -1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9176    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0360    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3906    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6042    1.6317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  2  1  0
M  END
$$$$
Mol_330
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -3.2624   -0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9270    0.4734    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6677   -0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6677    0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270   -0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2624    0.2097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
M  END
$$$$
Mol_331
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -3.4921   -0.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0414   -0.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4973    1.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003    1.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3817   -0.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8643    0.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8029   -1.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4084    1.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4532   -1.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8801   -0.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10  2  1  0
 10  5  1  0
M  END
$$$$
Mol_332
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -4.3306    0.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9799    0.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7396   -0.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8501   -1.5346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3889    0.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8514   -0.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2021    0.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4424   -0.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7932    0.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
M  END
$$$$
Mol_333
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4558    1.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6067    0.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2531   -1.1851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1113    0.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6730    1.5641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1314    1.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2485   -0.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8624   -0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5115   -2.3139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8  4  2  0
M  END
$$$$
Mol_334
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -2.5981   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.4500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.4500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
M  END
$$$$
Mol_335
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -4.5543   -0.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1098    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0374   -0.8155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5929   -0.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4794   -1.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9963   -2.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2961    0.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    1.0419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2237    1.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5958    2.8993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  4  9  1  0
  9 10  1  0
 10 11  1  0
M  END
$$$$
Mol_336
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -4.7785   -0.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3080    0.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8294    1.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3590    1.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3671    0.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1033    1.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951   -0.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5656    0.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5574   -0.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0442    1.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6165   -1.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1461   -1.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8457   -0.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3243   -2.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3162   -0.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  7 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15  2  1  0
 13  5  1  0
 15  6  1  0
M  END
$$$$
Mol_337
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -3.8971    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
M  END
$$$$
Mol_338
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -3.3076    1.9535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8946    1.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7522    2.4221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6241   -0.0253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2111   -0.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9522   -1.8329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4522   -1.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1934   -3.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0393    0.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4453    1.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6009    0.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0069    1.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3505   -0.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9445   -1.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14  5  1  0
M  END
$$$$
Mol_339
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.7248   -2.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4791   -1.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7334    0.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1057    0.9027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2745    1.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2255    1.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6937    0.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1218   -0.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6629   -1.5819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5806    1.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5499   -0.6127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5169   -0.5806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
  7 12  1  0
 12  3  1  0
M  END
$$$$
Mol_340
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10  4  1  0
M  END
$$$$
Mol_341
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -6.9435   -0.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6127    0.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3480   -0.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0171    0.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7524   -0.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4216    0.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8431   -0.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1740    0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4387   -0.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7695    0.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0342   -0.7670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8357    1.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
M  END
$$$$
Mol_342
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
    3.7383    1.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6820    0.0394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2315    0.4217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1752   -0.6432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5693   -2.0905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2753   -0.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3316   -1.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6694    1.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1199    1.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
M  END
$$$$
Mol_343
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -5.8341   -0.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4290    0.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2718   -0.5289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8666   -0.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7095   -0.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6957   -0.4335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8528   -1.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2580   -0.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4152   -1.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9437    1.0459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3488    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5968    3.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  6 10  1  0
 10 11  1  0
 11 12  1  0
M  END
$$$$
Mol_344
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.5981   -1.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -1.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.7727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -1.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -1.7727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5981    1.2273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.7273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.2273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10  2  1  0
M  END
$$$$
Mol_345
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -3.4867   -0.7905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0825   -0.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8373    1.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7259    0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4806   -0.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9236   -1.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8848   -0.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6481   -1.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0239    0.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
  7  2  1  0
  8  5  1  0
M  END
$$$$
Mol_346
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.8254    0.0221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3278    0.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6517    1.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1540    1.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6675    0.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1652    0.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9867   -0.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8413    1.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0086   -1.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8129   -2.3200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5062   -1.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  1  0
  9 10  2  0
  9 11  1  0
 11  2  1  0
M  END
$$$$
Mol_347
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.1492   -0.4401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6886   -0.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2542    1.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2064    1.6788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2325    0.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6931    0.9264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7981   -0.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8243   -1.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -1.1926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  2  0
  9  2  1  0
M  END
$$$$
Mol_348
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.8052    0.2270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4792    0.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2090    0.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8829    0.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6127    0.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3425   -0.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0723   -1.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7462   -0.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4201   -0.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0941    0.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1761   -0.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5022    0.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7724   -0.3535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0985    0.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3687   -0.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6948    0.2509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9650   -0.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2910    0.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3469    1.6531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5612   -0.6437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8873    0.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  3  0
  6  7  1  0
  7  8  1  0
  8  9  3  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
M  END
$$$$
Mol_349
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -1.1137   -2.8127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6934   -1.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7302   -0.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3099    1.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3467    2.2351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2604    1.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5183   -0.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7638   -1.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5424    0.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3211    1.5473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8245   -0.5135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  8  2  1  0
  9  6  1  0
M  END
$$$$
Mol_350
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
    3.9924    1.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8169    0.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4390   -0.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2635   -1.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2366    0.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1412   -0.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3436    0.7075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7214    0.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1286   -1.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3143    1.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0993   -0.4783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
M  END
$$$$
Mol_351
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.3336   -2.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5577   -1.2963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3854   -0.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9889   -0.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1835    0.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5800   -0.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7524    0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1489   -0.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3213    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3731   -1.6145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0407    1.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4372    2.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6096    1.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0061    1.6700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
  5 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13  3  1  0
M  END
$$$$
Mol_352
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -5.6881    1.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5570    0.1265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8448   -1.3456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1382    0.6134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0072   -0.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5426   -0.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9614   -0.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2491    1.0888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6679    1.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7990    0.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5112   -0.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0925   -1.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
M  END
$$$$
Mol_353
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.7162    0.2919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6271   -0.7396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1893   -0.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8406    1.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4028    1.5743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6863    0.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1241    0.9703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2132   -0.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6510    0.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8645   -1.5200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3376   -0.9161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1002   -1.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
  6 11  1  0
 11 12  2  0
 12  3  1  0
M  END
$$$$
Mol_354
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.9403    0.4737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9317   -0.6366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0086    1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4573    1.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4658    0.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9317    0.6366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9403   -0.4737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0086   -1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4573   -1.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  2  0
 10  3  1  0
M  END
$$$$
Mol_355
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -4.6765    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3775    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0785    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0785   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7794    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1177   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1177   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
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  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
M  END
$$$$
Mol_356
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.2689    0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0893    0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3020   -1.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3029    0.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4825   -0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8748    0.2197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
M  END
$$$$
Mol_357
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -5.3366   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    0.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7392   -0.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4234    0.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1418   -0.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1740    0.1983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4556   -0.5811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7714    0.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0530   -0.6404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
M  END
$$$$
Mol_358
     RDKit          2D

  5  5  0  0  0  0  0  0  0  0999 V2000
    1.2760   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  1  1  0
M  END
$$$$
Mol_359
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -3.8971   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
M  END
$$$$
Mol_360
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -5.8514   -0.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5393    0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2537   -0.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9416    0.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6560   -0.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6560    0.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9416   -0.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2537    0.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5393   -0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8514    0.2717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
M  END
$$$$
Mol_361
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
   -9.0933   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933   -0.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
M  END
$$$$
Mol_362
     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
    4.5136    4.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8610    3.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650    2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7124    1.6119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2165    1.5018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4361    0.1512    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0888   -1.1994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9144   -0.5014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0246   -1.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3752   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4853   -4.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8359   -4.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7867    0.8038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0272   -0.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3778    0.6131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6183   -0.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9689    0.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
  6 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
M  END
$$$$
Mol_363
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
    3.6606    0.8914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4885   -0.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7130   -1.5277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0918    0.5025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0803   -0.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4770    0.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7016    1.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6491   -0.8225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0458   -0.2755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
M  END
$$$$
Mol_364
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.6401   -0.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6401   -0.2964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.2145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  2  1  0
M  END
$$$$
Mol_365
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -2.1576   -2.6472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7694   -1.1983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8300   -0.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4418    1.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9929    1.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6047    3.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0677    0.6389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3205   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7402   -1.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1890   -1.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5773   -0.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0262    0.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5166    1.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
  8  2  1  0
 13  7  1  0
M  END
$$$$
Mol_366
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -4.0681    1.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8672    0.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4883    1.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3104    2.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    0.6013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4654   -0.8881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8443   -1.4787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0223   -2.9681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0452   -0.5799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4240   -1.1705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7354   -1.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1143   -1.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2923    0.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9689    1.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7281   -0.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8218    0.8857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0703   -1.6014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0914    1.1918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
  6 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 15 17  1  0
 13 18  1  0
  9  2  1  0
 18  5  1  0
M  END
$$$$
Mol_367
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.8662    1.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8845    0.2019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5947   -0.5639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6130   -2.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2866    0.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0032   -0.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3113    0.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6011   -0.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3296    1.6384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
M  END
$$$$
Mol_368
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.7972    0.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7101   -0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2714    0.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1844   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2543   -0.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7563    1.0916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2558    1.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1700    2.2401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6804   -0.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4434   -1.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4028   -2.7356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 10  5  1  0
M  END
$$$$
Mol_369
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -5.5059   -0.5977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2279    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2689    1.6870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9909    2.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6718    1.7581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6308    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9088   -0.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5569   -1.9848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5415    1.0242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4850    1.7784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1109   -1.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9949   -2.8307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
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 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
  7  2  1  0
 18 11  1  0
 10  6  1  0
M  END
$$$$
Mol_370
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -4.3739    0.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9929   -0.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3619    1.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3476   -0.9955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7286   -1.5811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
M  END
$$$$
Mol_371
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
    0.8833    0.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6682   -0.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3989   -1.2756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0476   -1.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  7 10  1  0
 10 11  1  0
 10  2  1  0
 11  4  1  0
M  END
$$$$
Mol_372
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -4.3306    0.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9799    0.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8514   -0.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2021    0.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4424   -0.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7932    0.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
M  END
$$$$
Mol_373
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.5114   -2.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4926   -0.9915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1843   -0.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4324    1.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1655    1.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4550    2.0082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10  3  1  0
M  END
$$$$
Mol_374
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -2.6542    1.5019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1138    0.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2512    1.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917    0.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1268    0.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6112   -1.2532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6279   -0.9433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7072   -1.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0
  2  4  1  0
  4  5  1  0
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  6  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  1  0
 10  4  1  0
 11  4  1  0
M  END
$$$$
Mol_375
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.4653    0.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5353   -0.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9874    1.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174    0.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4016    0.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3631   -1.2595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1211   -1.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9  3  1  0
M  END
$$$$
Mol_376
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -4.2336   -0.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8768    0.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6444   -0.6157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2877    0.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1633    1.5188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3014   -0.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5338   -1.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4259    1.3033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
M  END
$$$$
Mol_377
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.5833    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8333    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5833   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3333   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4167   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9167    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4167    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
M  END
$$$$
Mol_378
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.9362    1.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1822    0.2039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4795    1.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9043    1.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9942   -2.2640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6071    0.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
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  3 11  2  0
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 10  5  1  0
 19 14  1  0
M  END
$$$$
Mol_379
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -0.9718   -1.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  9  1  0
  9 10  1  0
  9 11  1  0
  7  2  1  0
 11  4  1  0
M  END
$$$$
Mol_380
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_381
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_382
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_383
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
    1.3904   -4.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_384
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_385
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_386
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
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    0.3174    2.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  1  0
  4  5  2  0
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 10  4  1  0
 22 12  1  0
 24  6  1  0
M  END
$$$$
Mol_387
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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    0.9524    2.6561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5446    2.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2109    4.0948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
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 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
  9  3  1  0
 20 11  1  0
 22  7  1  0
M  END
$$$$
Mol_388
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10  2  1  0
M  END
$$$$
Mol_389
     RDKit          2D

 24 28  0  0  0  0  0  0  0  0999 V2000
   -3.5700   -3.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3205   -4.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7841   -3.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6171    3.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2260   -2.1496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 19  1  1  0
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M  END
$$$$
Mol_390
     RDKit          2D

 30 34  0  0  0  0  0  0  0  0999 V2000
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   -3.3589    0.0131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  3  5  1  0
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 10 11  1  0
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 30  5  1  0
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 27 18  1  0
M  END
$$$$
Mol_391
     RDKit          2D

  6  7  0  0  0  0  0  0  0  0999 V2000
    1.6645   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7829    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6437    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  5  3  1  0
M  END
$$$$
Mol_392
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -4.1934   -0.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7532    0.5851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2984    2.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0819    1.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
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  4  5  2  0
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  6  7  2  0
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  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
  7  2  1  0
 11  5  1  0
M  END
$$$$
Mol_393
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -2.5907    1.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7964    0.6205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6537   -1.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7786    1.3479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2932    1.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
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  6  7  1  0
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  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
  7  2  1  0
 13  8  1  0
M  CHG  2   2   1   3  -1
M  END
$$$$
Mol_394
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.4665    0.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9915    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4072    0.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8822    0.4540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9061   -1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4311   -1.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10  4  1  0
M  END
$$$$
Mol_395
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -3.2248   -1.9978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7251   -2.0254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9034    1.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6294    3.1699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5963    1.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3222    0.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8220    0.4894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5479   -0.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5484   -0.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2744   -2.0806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  2  0
 11  3  1  0
M  END
$$$$
Mol_396
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.5928    1.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6020    0.1606    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0818   -1.2606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1313    0.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1404   -0.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3303   -0.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8101    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2808    1.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2717    0.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7424    0.5098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7919   -1.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3212   -1.5015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12  6  1  0
M  END
$$$$
Mol_397
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.8265   -0.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4596    0.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3112    1.6137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2412   -0.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8743   -0.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442   -1.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7110   -0.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0143   -1.1357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1233   -0.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5055    1.2411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0146    1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11  7  2  0
M  END
$$$$
Mol_398
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -2.5981   -2.4231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.1731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.1731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -2.4231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
  9 13  2  0
 13  4  1  0
M  END
$$$$
Mol_399
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1668    0.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0653   -0.7045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6328   -0.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3018    1.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1308    1.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2323    0.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6648    1.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7663    0.0566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9012   -0.8331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0027   -1.8512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5313   -1.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
  9 11  2  0
 11  3  1  0
M  END
$$$$
Mol_400
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -4.0444    0.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5865    0.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5520   -0.6727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0941   -0.3198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3293    1.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7872    1.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8217    0.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3984   -1.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405   -1.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
M  END
$$$$
Mol_401
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.4878   -1.7359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0963   -0.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1546    0.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6466    0.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2551    1.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1946    1.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    0.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8615   -0.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9197   -1.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4117   -0.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10  4  1  0
M  END
$$$$
Mol_402
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.7486   -0.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3132    0.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2183   -0.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7829   -0.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4425    1.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9929    1.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0878    0.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5232    1.0692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7474   -0.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8423   -1.8525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3120   -1.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  2  0
 11  4  1  0
M  END
$$$$
Mol_403
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -5.4001   -2.8328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4096   -1.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8899   -0.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8994    0.8412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3797    2.2622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4286    0.5466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9483   -0.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9388   -2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4775   -1.1690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5130   -0.0425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9838   -0.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641   -1.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9349   -2.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9254   -0.9262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3962   -1.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4451    0.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4356    1.6213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9743    0.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0327    1.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0232    2.5050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4381    1.6731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9184    3.0941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
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 16 18  2  0
 10 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
  8  2  1  0
 18 11  1  0
 21  6  1  0
M  END
$$$$
Mol_404
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -6.3563   -0.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8599   -0.6461    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2013    0.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7048    0.8051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8670   -0.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3706   -0.3357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4672   -1.5799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9637   -1.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8015   -2.7206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2979   -2.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9565   -1.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1187   -0.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6223   -0.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2880    1.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6052    3.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1088    3.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5498    2.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5256   -1.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0221   -1.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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 17 18  1  0
 18 19  2  0
  5 20  1  0
 20 21  1  0
 21  2  1  0
 13  8  1  0
 19 14  1  0
M  END
$$$$
Mol_405
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -6.7653    1.9303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1849    0.5472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3011    1.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3477   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8358   -1.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0
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 11 12  2  0
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 18 19  1  0
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 21  3  1  0
 19  7  1  0
 18 11  1  0
M  END
$$$$
Mol_406
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
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    3.1921   -0.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_407
     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
   -4.0250   -4.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2959   -3.2906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1445    3.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2823    0.1293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
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M  END
$$$$
Mol_408
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8971    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1962   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
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 10  5  1  0
 18 13  1  0
M  END
$$$$
Mol_409
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -5.4033   -2.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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M  END
$$$$
Mol_410
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_411
     RDKit          2D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_412
     RDKit          2D

 30 34  0  0  0  0  0  0  0  0999 V2000
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 19  9  2  0
 18 11  1  0
M  END
$$$$
Mol_413
     RDKit          2D

 45 49  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_414
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -2.0785    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7794    0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
M  END
$$$$
Mol_415
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.9910   -1.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2785    0.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0
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M  END
$$$$
Mol_416
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.5714    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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  6  7  1  0
  7  2  1  0
M  END
$$$$
Mol_417
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_418
     RDKit          2D

  5  5  0  0  0  0  0  0  0  0999 V2000
    2.0485    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_419
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
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 12  3  1  0
M  END
$$$$
Mol_420
     RDKit          2D

 10 12  0  0  0  0  0  0  0  0999 V2000
    2.0087   -1.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2730    0.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0516   -1.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7690    0.8441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1794   -0.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3145   -0.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483    1.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6393    1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7479    0.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2103   -0.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9  2  1  0
  8  4  1  0
  9  6  1  0
M  END
$$$$
Mol_421
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
    3.4867   -0.7905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0825   -0.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9236   -1.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4806   -0.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7259    0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4331    1.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8373    1.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8848   -0.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0239    0.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6481   -1.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  8 10  1  0
  7  2  1  0
  8  4  1  0
M  END
$$$$
Mol_422
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -2.7865    0.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3548    0.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2514   -0.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5797   -1.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1803    0.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2837   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5086    1.6381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  2  0
M  END
$$$$
Mol_423
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -3.6408    1.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1972    0.3711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7345    0.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2909   -1.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3101   -2.4947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1718   -1.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6154   -3.1593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1910   -0.6258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6537   -0.9581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6728    0.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292    1.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7665    1.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7474    0.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7154    1.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1589    2.5723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 14  3  1  0
 13  8  1  0
M  END
$$$$
Mol_424
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    1.5153   -3.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1034   -1.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2024   -0.7347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5399   -0.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1778   -1.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2832   -1.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7197   -0.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1807    0.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6172    1.7191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2053   -0.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6951    1.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7660    0.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7906    1.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3541    3.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2516    1.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
  7 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 12  3  1  0
M  END
$$$$
Mol_425
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -2.7865    0.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3548    0.7431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2514   -0.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5797   -1.7367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1803    0.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2837   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5086    1.6381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
M  END
$$$$
Mol_426
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -7.1201   -0.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7781    0.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5268   -0.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1848    0.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9335   -0.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5915    0.1514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6598   -0.6758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0018   -0.0057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0926    1.4915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2531   -0.8329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5952   -0.1629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8465   -0.9901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6859    1.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
M  END
$$$$
Mol_427
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.8748   -0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4825    0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3029   -0.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0893   -0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2689   -0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3020    1.4551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
M  END
$$$$
Mol_428
     RDKit          2D

  8  9  0  0  0  0  0  0  0  0999 V2000
   -0.0000    2.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -1.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7990   -0.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7990   -0.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -1.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  2  6  1  0
  6  7  1  0
  7  8  1  0
  5  3  1  0
  8  6  1  0
M  END
$$$$
Mol_429
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.8313    2.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9533    0.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5674   -0.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0597   -0.6805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6894   -1.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7545   -1.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4085   -0.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5390    0.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7019    0.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8648   -0.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6493    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  8  2  1  0
  9  6  1  0
M  END
$$$$
Mol_430
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.2010    1.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0596    0.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3317   -1.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6460    0.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5046   -0.4257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9089    0.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3338    1.5147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8332    1.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3351    0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -0.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1863   -2.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10  6  2  0
M  END
$$$$
Mol_431
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    4.5609    0.1026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1906    0.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9771   -0.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.6609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6067    0.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4498    1.9327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6067   -0.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4498   -1.9327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9771    0.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1340    1.6609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1906   -0.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5609   -0.1026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
M  END
$$$$
Mol_432
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.8254    0.0221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3278    0.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5062   -1.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0086   -1.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8129   -2.3200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6675    0.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1652    0.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8413    1.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9867   -0.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1540    1.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517    1.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  6 10  1  0
 10 11  1  0
 11  2  1  0
M  END
$$$$
Mol_433
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
    3.0383   -2.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4266   -1.4893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750   -0.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1700    0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8004    0.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6418    1.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8543    2.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7292    2.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9417    1.5293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7831    0.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_434
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_435
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.8313    2.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9533    0.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_436
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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  7 10  1  0
 10 11  1  0
 11  4  1  0
M  END
$$$$
Mol_437
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_438
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_439
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_440
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_441
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_442
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
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 29 30  1  0
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 30 12  1  0
 13  7  1  0
 30 17  1  0
 26 19  1  0
M  END
$$$$
Mol_443
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
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  8 10  1  0
 10 11  1  0
 10 12  2  0
 12  5  1  0
M  END
$$$$
Mol_444
     RDKit          2D

 29 30  0  0  0  0  0  0  0  0999 V2000
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  8  2  1  0
 29  7  1  0
M  END
$$$$
Mol_445
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
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 31  2  1  0
 30  6  1  0
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 28 20  1  0
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M  END
$$$$
Mol_446
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
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 30  9  1  0
 30 12  1  0
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M  END
$$$$
Mol_447
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 27 29  1  0
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M  END
$$$$
Mol_448
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0
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 14 16  1  0
 13  3  1  0
M  END
$$$$
Mol_449
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
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  9 10  2  0
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 14 15  2  0
 15  9  1  0
M  END
$$$$
Mol_450
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -8.8791   -1.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3795   -1.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  8  9  1  0
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 10 11  1  0
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 17 18  2  0
 18 19  1  0
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 29 30  1  0
 30 31  1  0
 10 32  1  0
 32 33  1  0
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 32  5  1  0
 15  8  1  0
 30 18  1  0
 30 13  1  0
 26 19  1  0
M  END
$$$$
Mol_451
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -2.8988   -2.5798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5471   -1.9295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7392   -1.1808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0889    0.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3734    0.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5465   -0.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7980    0.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5520    2.2866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5847    0.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9554    1.5117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9517   -0.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
  6 14  1  0
 14 15  1  0
 14 16  1  0
  8  2  1  0
 14  5  1  0
 11  7  1  0
M  END
$$$$
Mol_452
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -1.5086    1.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1803    0.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2837   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2514   -0.2730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5797   -1.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3548    0.7431    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7865    0.2956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
M  END
$$$$
Mol_453
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.7500    3.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
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  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15  2  1  0
 15  9  1  0
M  END
$$$$
Mol_454
     RDKit          2D

 30 31  0  0  0  0  0  0  0  0999 V2000
    1.6726    3.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8192    2.8423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2301    3.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4943    4.8283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3767    2.3846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1125    0.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7016    0.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5550    1.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4374   -1.0779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2591   -0.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
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  7 10  1  0
 10 11  1  0
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 13 14  1  0
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 29 30  1  0
  8  2  1  0
 30  6  1  0
M  END
$$$$
Mol_455
     RDKit          2D

 27 31  0  0  0  0  0  0  0  0999 V2000
    1.9740   -1.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3775    2.7252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  4  5  1  0
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  5  7  1  0
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 10 11  1  0
 11 12  1  0
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 13 14  1  0
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 17 18  1  0
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 22 23  1  0
 17 24  1  0
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 26 11  1  0
 12  2  1  0
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 23 18  1  0
M  END
$$$$
Mol_456
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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  2  3  2  0
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 16  2  1  0
 16  6  1  0
M  END
$$$$
Mol_457
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    6.0727    1.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0
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 12 14  2  0
 14 15  1  0
 15  9  1  0
M  END
$$$$
Mol_458
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
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  6  2  1  0
 14  7  1  0
 11  5  1  0
M  END
$$$$
Mol_459
     RDKit          2D

 34 36  0  0  0  0  0  0  0  0999 V2000
    5.5201   -2.4771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9981   -1.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 14  7  1  0
 27 18  1  0
M  END
$$$$
Mol_460
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -8.8086    1.2957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15  8  1  0
 30 18  1  0
 30 13  1  0
 26 19  1  0
M  END
$$$$
Mol_461
     RDKit          2D

 11 13  0  0  0  0  0  0  0  0999 V2000
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  8  9  1  0
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 10 11  1  0
 10  2  1  0
 11  4  1  0
  9  7  1  0
M  END
$$$$
Mol_462
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
    3.0383   -2.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15  2  1  0
 14  5  1  0
 15  5  1  0
M  END
$$$$
Mol_463
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
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 13  9  1  0
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M  END
$$$$
Mol_464
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
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 30 31  1  0
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 28  7  1  0
 28 10  1  0
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 23 15  1  0
 25 23  1  0
M  END
$$$$
Mol_465
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0
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M  END
$$$$
Mol_466
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.3690    1.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0
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 15  4  1  0
 14  9  1  0
M  END
$$$$
Mol_467
     RDKit          2D

 23 27  0  0  0  0  0  0  0  0999 V2000
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    0.9220    4.1983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 13  2  1  0
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 12  7  1  0
 23  9  1  0
 20 11  2  0
M  END
$$$$
Mol_468
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.3807    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5064   -0.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  4  1  0
M  END
$$$$
Mol_469
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_470
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_471
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    6.3757    0.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0
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 10 11  1  0
 10 12  1  0
M  END
$$$$
Mol_472
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 22  7  1  0
 21 11  1  0
M  END
$$$$
Mol_473
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -3.6588   -1.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  5  1  0
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M  END
$$$$
Mol_474
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.1492   -0.4401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6886   -0.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6625   -1.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  7  9  1  0
  9  2  1  0
M  END
$$$$
Mol_475
     RDKit          2D

 30 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_476
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
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 12  2  1  0
 10  3  1  0
 13  5  1  0
M  END
$$$$
Mol_477
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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 16  6  1  0
M  END
$$$$
Mol_478
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_479
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_480
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_481
     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_482
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_483
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_484
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_485
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_486
     RDKit          2D

 39 43  0  0  0  0  0  0  0  0999 V2000
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 21  7  1  0
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 19  9  1  0
 17 13  2  0
M  END
$$$$
Mol_487
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    4.4549    1.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5459   -0.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0581    0.1293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3144   -0.4923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  5  6  1  0
  5  7  1  0
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  8  9  1  0
  8 10  2  0
M  END
$$$$
Mol_488
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.0751    0.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0665   -0.3011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3224    1.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3310    0.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4079   -1.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0493   -2.5216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  8  9  2  0
  8  3  1  0
M  END
$$$$
Mol_489
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
    4.9099   -0.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4378    0.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    1.6919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6923   -2.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9785    1.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 13 14  1  0
 14  8  1  0
M  END
$$$$
Mol_490
     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
   -6.5091   -0.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9148   -0.2249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8345    1.2729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_491
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_492
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
    4.0797   -0.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  7  1  0
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M  END
$$$$
Mol_493
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_494
     RDKit          2D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_495
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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  2  4  1  0
  4  5  1  0
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M  END
$$$$
Mol_496
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.0000    0.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0
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  5  6  2  0
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  9 10  1  0
 10  2  1  0
M  END
$$$$
Mol_497
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_498
     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
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 26  5  1  0
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 23 15  1  0
 23 18  1  0
M  END
$$$$
Mol_499
     RDKit          2D

 38 43  0  0  0  0  0  0  0  0999 V2000
   -5.9119    3.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3335    1.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6833   -1.8519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2258   -1.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.8268    2.4877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 16  9  1  0
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M  END
$$$$
Mol_500
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.2771   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5271    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2771    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0271   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2771   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9729    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1220   -0.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1220    0.9642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2771    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  1  0
 11  4  1  0
M  END
$$$$
Mol_501
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -0.1703   -1.8586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7264   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2020    0.7126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6866    0.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2426   -0.8955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7272   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2832   -2.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548   -3.6817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6556    0.0677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1401   -0.1473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0995    1.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0280    2.6389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0589    3.0689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1393   -1.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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 13  4  1  0
 23 15  1  0
M  END
$$$$
Mol_502
     RDKit          2D

 42 48  0  0  0  0  0  0  0  0999 V2000
   -0.2230   -6.8544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0652   -5.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2781   -4.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4634   -3.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8341   -2.6528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_503
     RDKit          2D

 33 35  0  0  0  0  0  0  0  0999 V2000
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    1.4676    4.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9662    4.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6586    3.5435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8525    2.2786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
  6 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 17 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 13  8  1  0
 24 19  1  0
 33 28  1  0
M  END
$$$$
Mol_504
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -2.7865    0.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3548    0.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2514   -0.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5797   -1.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1803    0.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5086    1.6381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2837   -0.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
M  END
$$$$
Mol_505
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.6417   -3.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7165   -1.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4565   -0.7861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5313    0.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2713    1.5259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0635    0.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236    1.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6584    0.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7332   -0.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0680   -1.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3280   -0.3975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5881    0.4164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4732   -1.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1383   -0.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8661    1.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9409    2.8945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1261    0.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4610    1.2668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0514   -0.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3114   -1.7295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  3  0
  9 13  1  0
 13 14  2  0
  4 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19  2  1  0
 14  6  1  0
M  END
$$$$
Mol_506
     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -7.7730   -1.6249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3425   -1.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0180    0.2908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5875    0.7421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4815   -0.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0510    0.1801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7265    1.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2960    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8101    1.0825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2406    1.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3466    0.5205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0222   -0.9440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1282   -1.9572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8037   -3.4217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9098   -4.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3403   -3.9837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -2.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5587   -1.5060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5651    2.9983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9956    3.4495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4590    4.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7835    5.4760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0285    3.5603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0775    4.5735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8060   -1.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6999   -2.7489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2365   -2.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5609   -3.6514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 10 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
  5 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27  2  1  0
 23  8  1  0
 18 13  1  0
M  END
$$$$
Mol_507
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.0000   -0.5196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.8187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.5196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.0785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.0785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9  2  1  0
M  END
$$$$
Mol_508
     RDKit          2D

  8  9  0  0  0  0  0  0  0  0999 V2000
    2.1998   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4498   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0502   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8002    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0502    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4498    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0993   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0993    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  6  1  1  0
  8  4  1  0
M  END
$$$$
Mol_509
     RDKit          2D

 40 44  0  0  0  0  0  0  0  0999 V2000
   -7.5019   -4.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5452   -2.9363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0674   -1.5302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5463   -1.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1107   -0.3749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6329    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6318   -0.6258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6751    0.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1973    1.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2406    3.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5444    3.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7367    4.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7617    2.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2395    1.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2393    1.1831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1960    2.3384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6749    2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1971    0.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6759    0.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1538    1.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6327    1.5857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1115    1.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6337   -0.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1126   -0.3222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6770   -1.2267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1731   -2.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9809   -1.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1981   -0.9758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2414   -2.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625   -1.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2404   -0.4740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2837   -1.6293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7615   -0.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7174    0.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1952   -1.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6741   -1.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1962    0.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1530   -0.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6308   -2.2828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9478   -0.9374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
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 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
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 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
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 31 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  2  0
 38 40  1  0
 37  8  1  0
 37 14  1  0
 33 15  1  0
 31 18  1  0
 28 19  1  0
M  END
$$$$
Mol_510
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -2.5981   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
M  END
$$$$
Mol_511
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -7.7710   -1.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2837   -1.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3714   -0.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8840   -0.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9717    0.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4844    0.2646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5721    1.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8133    2.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3006    1.8355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8756    0.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3629    0.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9379   -1.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4252   -1.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0002   -2.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3774    2.9426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
  8 15  1  0
 15  7  1  0
M  END
$$$$
Mol_512
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -4.2551   -0.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8948    0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6672   -0.4165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069    0.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207   -0.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2810   -0.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5085   -0.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    1.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
M  END
$$$$
Mol_513
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.2975    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5475   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2975   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0475   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8342    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2608   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8342   -1.2135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  4  1  0
M  END
$$$$
Mol_514
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -6.1847   -0.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7839   -1.4073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6189   -0.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8548    1.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6898    1.9639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2890    1.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0469    2.1096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1085    1.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6063    1.1295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4243   -0.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9222   -0.0481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4286   -0.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2181   -0.9988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  6  7  1  0
  7  8  1  0
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  9 10  1  0
 10 11  1  0
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 13 14  1  0
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 15 16  2  0
 16 17  1  0
 17 18  2  0
 18  3  1  0
 17  6  1  0
 16  8  1  0
M  END
$$$$
Mol_515
     RDKit          2D

 36 40  0  0  0  0  0  0  0  0999 V2000
   -9.2636   -1.1018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7671   -1.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1076   -2.5515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9301    0.0405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4336   -0.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2776   -1.5117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4406   -0.2669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5598    3.1600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2264    2.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.9678    1.7909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  8 10  1  0
 10 11  1  0
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 17 18  2  0
 18 19  1  0
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 25 26  1  0
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 31 32  1  0
 32 33  1  0
 10 34  1  0
 34 35  1  0
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 34  5  1  0
 15  8  1  0
 32 18  1  0
 32 13  1  0
 26 19  1  0
M  END
$$$$
Mol_516
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -2.3570   -2.8679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4973   -1.8934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9115   -2.3937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2235   -0.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3638    0.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0900    2.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6759    2.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5356    1.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8094    0.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6691   -0.8929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7450   -0.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8853   -1.3671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2994   -0.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5733    0.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9874    1.1082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4330    1.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7068    3.0573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0188    1.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1215    2.0567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
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  6  7  2  0
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 20 21  1  0
  9  4  1  0
 20 11  1  0
M  END
$$$$
Mol_517
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.8323   -3.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0249   -1.6881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8330   -0.7775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0256    0.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8336    1.6207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5510    1.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7430    1.9543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1276    1.3773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3202   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7048   -0.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8967    0.2233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2813   -0.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4102    1.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6028    2.7746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9867    0.9534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4095   -1.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6015   -2.0218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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 20  2  1  0
 15  6  1  0
M  END
$$$$
Mol_518
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.2771    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5271    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2771   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0271   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2771   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9729    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1220   -0.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2771    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
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  6  7  1  0
  7  8  1  0
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  7 10  1  0
 10 11  1  0
 11  4  1  0
M  END
$$$$
Mol_519
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.5757   -3.8638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6904   -2.8601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6401    0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135    1.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_520
     RDKit          2D

 40 45  0  0  0  0  0  0  0  0999 V2000
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 17 13  2  0
M  END
$$$$
Mol_521
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_522
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 17  6  1  0
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M  CHG  1   7   1
M  END
$$$$
Mol_523
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_524
     RDKit          2D

 26 27  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_525
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 18 12  1  0
 21  5  1  0
M  END
$$$$
Mol_526
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_527
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_528
     RDKit          2D

 38 42  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_529
     RDKit          2D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_530
     RDKit          2D

 39 44  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_531
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
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 10 11  2  0
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 17 29  1  0
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 29 31  2  0
 31  2  1  0
 11  5  1  0
 31 13  1  0
 27 18  1  0
M  END
$$$$
Mol_532
     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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   -0.1722    1.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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 21  8  1  0
 21 14  1  0
M  END
$$$$
Mol_533
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -1.1137   -2.8127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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  9 10  1  0
  9 11  1  0
  8  2  1  0
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M  END
$$$$
Mol_534
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -5.9351   -3.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_535
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_536
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_537
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_538
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_539
     RDKit          2D

 48 53  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_540
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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 15  7  1  0
M  END
$$$$
Mol_541
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_542
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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 13  5  1  0
M  END
$$$$
Mol_543
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_544
     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_545
     RDKit          2D

 34 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_546
     RDKit          2D

 35 38  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_547
     RDKit          2D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_548
     RDKit          2D

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M  END
$$$$
Mol_549
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_550
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_551
     RDKit          2D

 34 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_552
     RDKit          2D

 33 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_553
     RDKit          2D

 33 38  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_554
     RDKit          2D

 37 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_555
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_556
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_557
     RDKit          2D

 39 44  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_558
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_559
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_560
     RDKit          2D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_561
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_562
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_563
     RDKit          2D

 29 33  0  0  0  0  0  0  0  0999 V2000
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 19  2  1  0
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 23  2  1  0
 16  5  1  0
 16  9  1  0
M  END
$$$$
Mol_564
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
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  9 10  1  0
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  8  2  1  0
  9  6  1  0
M  END
$$$$
Mol_565
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 23 12  1  0
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M  END
$$$$
Mol_566
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.9797   -4.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7233   -2.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  1  0
 22 17  1  0
M  END
$$$$
Mol_567
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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 12  2  1  0
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M  END
$$$$
Mol_568
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.3914   -1.1523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7545    0.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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  4  5  1  0
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  6  9  1  0
  9  3  1  0
M  END
$$$$
Mol_569
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.6318   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  9  1  0
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M  END
$$$$
Mol_570
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
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 12  2  1  0
M  END
$$$$
Mol_571
     RDKit          2D

 28 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_572
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  3  4  2  0
  4  5  1  0
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 22  3  1  0
 18  5  2  0
 15  9  1  0
M  END
$$$$
Mol_573
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.9926   -3.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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 31  4  1  0
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M  END
$$$$
Mol_574
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -1.1962   -2.1908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6324   -0.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4611    1.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9737    0.8393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1450   -1.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6980   -1.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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  2  7  1  0
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  8  9  1  0
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 12 13  2  0
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M  END
$$$$
Mol_575
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.4229   -0.3055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0548    0.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5955   -2.3219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0
 10  4  1  0
M  END
$$$$
Mol_576
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
  -12.3893    0.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_577
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
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 25 20  1  0
M  END
$$$$
Mol_578
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
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  3  5  1  0
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M  END
$$$$
Mol_579
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
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    2.2251   -3.2141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1543    0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5871   -1.0544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
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 11 12  2  0
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 13 14  2  0
 14 15  1  0
 15 16  2  0
  5 17  1  0
 17 18  2  0
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 19  2  1  0
 16  7  1  0
 16 11  1  0
M  END
$$$$
Mol_580
     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
    5.3729   -4.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0763   -3.3271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0811   -1.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3826   -1.0813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -1.0730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1864   -1.0646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1913    0.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1053    1.1896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4068    0.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7034    1.1979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0049    0.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3015    1.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2966    2.7063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0097   -1.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3111   -1.7937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3016    2.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0558    4.0960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9073    1.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3735    1.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7893    0.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
  8 21  1  0
 21 22  1  0
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 26 28  1  0
 28  5  1  0
 19 10  1  0
 28 21  1  0
M  END
$$$$
Mol_581
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -3.5526    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2363    0.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2013   -1.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8850   -1.8426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -3.3422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3961   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7123   -1.7819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9935   -1.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9584    0.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6422    1.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6071    2.7169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3610    0.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9552    1.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9903    2.6561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  2  0
 13  2  1  0
 12  6  1  0
M  END
$$$$
Mol_582
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -5.9492   -2.9342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1559   -1.6612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8617   -0.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0684    0.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5692    0.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2750    2.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7742    2.2590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4817    3.4815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7759    2.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2767    2.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5709    0.7838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1349   -0.5397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3643   -0.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8407   -1.8633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6340   -0.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1332   -0.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3381   -2.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1315   -0.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6306   -0.7924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4257    0.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2151    2.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8517    1.0469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9265    0.6322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2207    1.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7216    2.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9282    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2224    2.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8634   -0.4387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6567   -1.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2653   -2.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9668   -3.1793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
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 29 30  1  0
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 31 32  1  0
 32 33  1  0
 32 34  1  0
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 31  5  1  0
 29 11  1  0
 29 16  1  0
 26 17  1  0
M  END
$$$$
Mol_583
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -5.9986   -0.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6619    0.2177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4041   -0.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4830   -2.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2252   -2.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3041   -4.4127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8885   -2.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3693   -3.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2904   -4.5493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7060   -2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7848   -0.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3793   -1.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7160   -0.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7949    1.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1316    1.8498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5371    1.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2004    1.3057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9426    2.1230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5270   -0.0556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8096   -0.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0674    0.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9886    1.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2464    2.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1675    3.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4253    4.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8308    4.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
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 22  3  1  0
 21  7  1  0
 18 12  1  0
M  END
$$$$
Mol_584
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -7.4252    2.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7739    0.7060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6185   -0.5336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6269   -0.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9840   -2.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1393   -1.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3565   -1.2035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2011    0.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6969   -0.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3482   -1.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0374    1.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0540    1.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5972    2.8503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9376    1.7223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
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 10 11  1  0
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 24 10  1  0
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M  END
$$$$
Mol_585
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
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   -2.5981    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5981    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
M  END
$$$$
Mol_586
     RDKit          2D

 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_587
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_588
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_589
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_590
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_591
     RDKit          2D

 45 48  0  0  0  0  0  0  0  0999 V2000
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   -5.7649   -0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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  4  5  1  0
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  7 20  1  0
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 22 23  2  0
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 25 26  1  0
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 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  2  0
 20 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
  2 37  1  0
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 39 40  1  0
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 35  5  1  0
 45 37  1  0
 19 11  1  0
 32 24  1  0
M  END
$$$$
Mol_592
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -3.1971    2.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3026    2.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3326   -0.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0975   -1.7746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4022   -1.8265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  2  0
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  6  7  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
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 11 13  1  0
 10  3  2  0
M  END
$$$$
Mol_593
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -6.5889   -0.8653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1130   -0.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1490    2.7621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6672   -1.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1431   -1.7418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
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  4  5  2  0
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 17  6  1  0
 15  8  1  0
M  CHG  1   7   1
M  END
$$$$
Mol_594
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  4  5  1  0
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  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
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  5 14  1  0
 14 15  1  0
 15  2  1  0
 10  4  1  0
M  END
$$$$
Mol_595
     RDKit          2D

 32 33  0  0  0  0  0  0  0  0999 V2000
    7.4675    0.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2441   -0.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2940   -0.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1541    1.3788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7908    2.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6509    3.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8744    4.3657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 31 11  1  0
 23 14  1  0
M  END
$$$$
Mol_596
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.6680    0.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2095    0.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1662    1.4916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1987    0.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7726   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3141   -1.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
M  END
$$$$
Mol_597
     RDKit          2D

 43 47  0  0  0  0  0  0  0  0999 V2000
    2.6780   -4.6936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 29  7  1  0
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M  CHG  1  28   1
M  END
$$$$
Mol_598
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.4332    0.7507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4291   -4.2726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6848   -1.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1775   -1.8347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
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 18 19  1  0
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 22 23  1  0
 22 24  1  0
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 24 26  2  0
  5 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31  3  1  0
 18  7  1  0
 26 19  1  0
 16  9  1  0
M  CHG  1  17   1
M  END
$$$$
Mol_599
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -4.5578    3.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8236   -3.4360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4095   -0.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8709   -1.2432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
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 10 11  1  0
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 12 13  1  0
 13 14  1  0
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 17 18  1  0
  5 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 22  3  1  0
 17  6  1  0
 15  8  1  0
M  CHG  1   7   1
M  END
$$$$
Mol_600
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.0735    4.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5469    2.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0344    0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1665   -0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0857   -1.4553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4539   -1.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4169   -2.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0770   -2.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5981    0.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8871   -1.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
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  7 18  1  0
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 23 25  1  0
 16  2  1  0
 23 18  1  0
 14  4  1  0
 21  4  1  0
M  END
$$$$
Mol_601
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.6304    2.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5111    1.6388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0453    1.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2894    0.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2880   -0.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4704   -1.3805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0355   -1.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7220   -2.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8049   -4.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0773   -0.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5669    1.8630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6611    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9567   -0.6096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
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 23 12  1  0
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M  END
$$$$
Mol_602
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -5.3791    2.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5151    1.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7500   -1.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  4  5  1  0
  5  6  1  0
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 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 10  1  0
M  END
$$$$
Mol_603
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.2778   -1.6426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9574   -0.9308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0259    0.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7432   -1.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
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 16  2  1  0
 13  5  1  0
M  END
$$$$
Mol_604
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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   -0.7724   -0.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 14 15  1  0
 15  4  1  0
 14  7  1  0
M  END
$$$$
Mol_605
     RDKit          2D

 41 45  0  0  0  0  0  0  0  0999 V2000
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 15  9  1  0
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M  END
$$$$
Mol_606
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
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  8  9  1  0
  9  2  1  0
M  END
$$$$
Mol_607
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_608
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_609
     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_610
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_611
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
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   -2.9228    0.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5842    2.1771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 11  2  1  0
  8  3  1  0
 14 10  1  0
M  END
$$$$
Mol_612
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.3449   -1.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7610   -0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6657    1.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2725    0.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3679   -1.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8793   -0.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0253   -2.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138   -2.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0977   -0.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2884    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2955    0.3908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2001    1.5873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6886    1.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20  4  1  0
 18  6  1  0
 16  9  1  0
M  END
$$$$
Mol_613
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
    5.4591   -1.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9735   -0.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9598    0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5016   -0.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5153   -1.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0434   -0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0571   -2.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4147   -1.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9003   -0.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3722   -0.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8542   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4013   -1.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7147   -2.2926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9140    0.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0723    1.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5579    0.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5442    1.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0160    1.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 10 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21  4  1  0
 19  6  1  0
 17  9  1  0
M  END
$$$$
Mol_614
     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    5.4253   -0.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9283   -0.3137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5022   -1.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4942   -2.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1041   -3.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2032   -2.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2229   -1.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7002   -2.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9402   -1.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7990    0.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1891   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3722    0.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3961   -1.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3728    1.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3649    2.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0252    3.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2148    4.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3326    2.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8295    2.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6882    1.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 10 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  1  0
 20  2  1  0
M  END
$$$$
Mol_615
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
   -3.1078    3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3157    2.8481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1495    1.3574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7754    0.7559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6091   -0.7348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2350   -1.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0688   -2.8270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3054   -3.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4716   -4.9192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8458   -5.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0120   -7.0114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0537   -4.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -3.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954   -2.2512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5133   -2.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3471   -1.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0271   -0.4469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1933    1.0438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0147    1.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3888    1.3317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967    2.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9709    1.6196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1371    0.1289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4305    3.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6384    4.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0564    4.3133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8901    5.8040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8484    3.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5257    4.0254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1912   -1.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3991   -1.9121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3574    0.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7316    1.0695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 10 11  1  0
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 30 31  1  0
 31 32  1  0
 31 33  2  0
 33 34  1  0
 33  3  1  0
 17  6  1  0
 28 19  1  0
 15  8  1  0
M  CHG  1   7   1
M  END
$$$$
Mol_616
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -2.1529   -1.7650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6237   -0.3408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0925   -0.0364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6257    0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1569    0.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3139   -0.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7827   -1.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7807   -0.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2535   -2.6780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8410    1.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3702    3.0188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3098    1.2902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  5 10  1  0
 10 11  2  0
 10 12  1  0
M  END
$$$$
Mol_617
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -0.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
M  END
$$$$
Mol_618
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.6025   -1.3505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1764    0.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2089    1.1758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7178    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6853   -0.6503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7732   -0.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1993    1.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6579    1.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6904    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2643   -1.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8057   -1.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
M  END
$$$$
Mol_619
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -4.7033    4.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4022    2.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9790    2.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5242    1.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9474    2.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2231    0.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7999   -0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4988   -1.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6209   -2.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0757   -2.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6226   -3.6182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1226   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3513   -2.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9331   -2.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3078   -1.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0180    1.6848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3928    2.2848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1492   -0.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
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 25 14  1  0
 23 17  1  0
M  END
$$$$
Mol_620
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
   -7.5376   -0.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2515   -0.0594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0486   -0.5664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
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 11 12  1  0
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 12 14  2  0
 14 15  1  0
 15 16  1  0
M  END
$$$$
Mol_621
     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
    2.4565   -2.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7005   -1.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967   -0.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2488    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0048   -0.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4468    1.9715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9349    0.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.7707   -0.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8407    0.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7993    1.9144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7230    2.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1885    0.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2924   -1.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0484   -2.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
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 13 14  1  0
 14 15  1  0
  3 16  1  0
 16 17  1  0
 16 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  1  0
 21  2  1  0
M  END
$$$$
Mol_622
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
    9.3759    2.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8956    2.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3657    0.9150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8854    0.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3555   -0.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8752   -0.9736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3453   -2.3769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8650   -2.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9147   -1.4589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9960   -0.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9463    0.3769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4265    0.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3768    1.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8571    1.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3870   -0.3511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8073    2.2127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
M  END
$$$$
Mol_623
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -2.5981   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
M  END
$$$$
Mol_624
     RDKit          2D

 44 47  0  0  0  0  0  0  0  0999 V2000
   -3.2434    1.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2469    0.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.8449    0.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.4430    0.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4396    1.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7438   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0411    0.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3419   -0.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5949   -1.7155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.8415    0.2679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3456   -2.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 36 34  1  0
 18 10  1  0
 42 34  1  0
M  END
$$$$
Mol_625
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
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   -3.4402   -0.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7959    1.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0004   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6077    0.8837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0475    0.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4033   -0.9940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8431   -1.4146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
M  END
$$$$
Mol_626
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.2604   -1.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1804    0.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8432    0.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9284   -1.6672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1856   -2.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5228   -1.8057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6027   -0.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7694    0.6350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7352    1.9589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4376    0.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7748    0.2462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
  2 15  1  0
 15 16  1  0
 14  6  1  0
 14 10  2  0
M  END
$$$$
Mol_627
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -3.2206   -1.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5049   -0.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2887    1.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0054    0.0235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2898    1.3418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    1.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9935    0.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2725    0.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7774   -1.1767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2779   -1.2160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2216   -1.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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  9 10  1  0
 10 11  1  0
 11  4  1  0
 10  7  1  0
M  END
$$$$
Mol_628
     RDKit          2D

 26 31  0  0  0  0  0  0  0  0999 V2000
   -1.9109   -4.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1260   -2.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3721    1.8222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
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 25 26  2  0
 18  5  1  0
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 21  9  1  0
 18 10  1  0
 17 12  1  0
M  END
$$$$
Mol_629
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -6.5342   -0.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3532   -1.5140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3600    1.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5477    4.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4228    2.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7808   -1.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9913   -3.3636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  6  7  1  0
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 17 20  2  0
  5 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23  3  1  0
 20 12  1  0
M  END
$$$$
Mol_630
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -4.4084   -3.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0216   -3.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8232   -1.5149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0117   -0.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8133    0.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6429    5.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3472    2.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7340    3.1735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2480   -1.8585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4464   -3.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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 18 20  2  0
  6 21  1  0
 21 22  2  0
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 22  3  1  0
 20 13  1  0
M  END
$$$$
Mol_631
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
    5.6017   -2.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3532   -2.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0089   -2.8181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9131   -4.3151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4491   -0.6557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7165    0.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3450    1.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8481    1.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5445    3.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9177    2.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3261   -0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2944    0.3017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
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 32  5  1  0
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 30 17  1  0
 27 18  1  0
M  END
$$$$
Mol_632
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.5312   -5.4491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2290   -3.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9201   -1.5647    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.7671   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9479    1.8467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7739   -3.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
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 10 11  2  0
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 24  4  2  0
 13  6  1  0
M  END
$$$$
Mol_633
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.4212   -1.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9851   -1.3303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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 10 11  1  0
 11 12  2  0
  9 13  1  0
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 13  4  1  0
M  END
$$$$
Mol_634
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.8794    0.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7700   -0.5213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3410   -0.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0214    1.4003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2315   -1.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1975   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5170    0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9460    1.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0555    0.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4845    0.7493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7359   -1.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3069   -1.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12  6  1  0
M  END
$$$$
Mol_635
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -4.5606    0.8537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4098   -0.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6676   -1.5861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0012    0.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8504   -0.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582   -0.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8161    1.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3347    2.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2247    1.9536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3755    0.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1176   -0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7090   -1.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4613   -2.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5617   -1.9679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 12  6  1  0
M  END
$$$$
Mol_636
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -1.6396   -1.7067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0915   -0.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0267    0.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5099    0.6389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3918   -0.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4444   -1.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7860   -0.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625    0.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0828    1.2444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9  5  1  0
M  END
$$$$
Mol_637
     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
    2.2546   -2.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -1.8031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5553   -0.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0470   -0.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8682    1.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5698    1.9149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4543    0.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0127    1.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4752    2.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0172    0.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5547   -1.3160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4842    0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4887   -0.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9557   -0.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9602   -1.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4182    1.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0634   -0.4588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
  7 17  1  0
 17  3  1  0
M  END
$$$$
Mol_638
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.0244   -3.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0361   -2.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2571   -1.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2454   -0.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5385    0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8434   -0.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1365    0.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8551   -1.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5268    2.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2220    2.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0712    2.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3760    2.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0595    0.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643    1.2472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3526   -0.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3409   -1.7527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16  2  1  0
 13  4  1  0
M  END
$$$$
Mol_639
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -3.4921   -0.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0414   -0.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4973    1.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003    1.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3817   -0.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8643    0.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8029   -1.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4084    1.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4532   -1.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8801   -0.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10  2  1  0
 10  5  1  0
M  END
$$$$
Mol_640
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    6.2245    1.5652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1864    0.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6051   -0.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7297    0.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6916   -0.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2349    0.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1968   -0.9679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6155   -2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2600   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2980   -1.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7548   -1.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1735    0.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6302    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1354    1.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5541    2.6280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6786    0.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  2  0
 16  9  1  0
M  END
$$$$
Mol_641
     RDKit          2D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -5.1060   -1.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7116   -0.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4447   -1.4778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2895   -0.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5938   -1.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9049   -1.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7080   -0.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2067   -0.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5938   -1.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8854   -2.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0097    0.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3141    1.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8154    1.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0123    0.6839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3166    2.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7882   -0.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  8 10  1  0
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 11 12  1  0
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 17 18  1  0
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 19 20  1  0
 19  2  1  0
 16  4  1  0
 20  4  1  0
 14  7  1  0
M  END
$$$$
Mol_642
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    1.8766   -3.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3447   -1.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3445   -0.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6191    0.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4173   -1.9565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7143    1.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1568    3.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1990    1.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
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 14 16  1  0
 13  3  1  0
M  END
$$$$
Mol_643
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
    3.2978   -0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1514    0.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4160    1.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2696    2.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8354    1.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
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  6  7  1  0
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  8 10  1  0
 10 11  1  0
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  7  2  1  0
  8  5  1  0
 13  6  1  0
M  END
$$$$
Mol_644
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.4740   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9898   -0.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0
 10 11  2  0
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M  END
$$$$
Mol_645
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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 15  2  1  0
 15  6  1  0
M  END
$$$$
Mol_646
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.2784   -1.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8208    0.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3137    0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1862   -0.7785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003   -1.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2926   -1.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
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  6  7  1  0
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  8  9  2  0
  7 10  1  0
 10 11  1  0
 11  4  1  0
M  END
$$$$
Mol_647
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.7500    3.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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 15  2  1  0
 15  9  1  0
M  END
$$$$
Mol_648
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -3.2201   -2.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8346   -0.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  6 13  1  0
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  8  2  1  0
 13  5  1  0
 11  7  1  0
M  END
$$$$
Mol_649
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
    1.5632   -2.9531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4495   -1.4574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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  8  2  1  0
  9  6  1  0
 14  7  1  0
M  END
$$$$
Mol_650
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -1.2349   -2.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15  6  1  0
 15  8  1  0
M  END
$$$$
Mol_651
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.8934    2.3526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4457    1.6765    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 13  8  1  0
M  CHG  2   2   1   3  -1
M  END
$$$$
Mol_652
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -4.2027    1.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17  5  1  0
 16  8  1  0
M  END
$$$$
Mol_653
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_654
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
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   -3.8172    0.9514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2391    0.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
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  5  7  1  0
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  7  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12  2  1  0
 12  7  1  0
M  END
$$$$
Mol_655
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -2.6138    2.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4551    1.9296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0422   -0.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3832    1.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9311    2.3978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3185   -0.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4912    0.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2538   -1.3439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7706   -1.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2874   -1.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
  9  4  1  0
 16 13  1  0
 17  9  1  0
M  END
$$$$
Mol_656
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.2013   -2.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3901   -1.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8797   -1.2128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7259   -0.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4984    1.2587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5731    1.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5079   -0.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9974   -0.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3366   -1.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3040    2.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8145    2.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
  9  2  1  0
 15  8  1  0
M  END
$$$$
Mol_657
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -2.2500    1.5877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.5877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -1.0104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.3094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -1.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    1.5877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  3  7  1  0
  7  8  1  0
  7  9  1  0
M  END
$$$$
Mol_658
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -2.3514   -2.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8742   -0.8214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8672    0.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3900    1.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9199    2.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0731    0.8984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5432    1.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5362    0.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0063    0.3697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0590   -1.3502    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4041   -0.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5889   -1.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  6 11  2  0
 11 12  1  0
 11  2  1  0
M  END
$$$$
Mol_659
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
    9.1313   -0.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8919   -1.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5405   -0.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1891    0.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8377    0.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5983    0.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2469    0.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0075   -0.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3439    0.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9348    0.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1742   -0.4876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5256    0.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7650   -0.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1164   -0.0306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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  3  4  3  0
  4  5  1  0
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  9 10  1  0
 10 11  1  0
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 13 14  1  0
 14 15  1  0
M  END
$$$$
Mol_660
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
   10.6769    0.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3876   -0.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0790    0.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7897   -0.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4812    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1919   -0.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8833    0.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5940   -0.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2854    0.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0039   -0.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6017   -0.5463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9103    0.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9295    1.6869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1996   -0.5796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5081    0.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7974   -0.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1060    0.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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  9 10  1  0
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 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
M  END
$$$$
Mol_661
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.6042   -1.6317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3906   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0360   -1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9176    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0360    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3906    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6042    1.6317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  2  1  0
M  END
$$$$
Mol_662
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
    5.2372    2.1151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7158    0.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2371    0.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7157   -0.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2370   -1.2013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7156   -2.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7631   -2.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2796   -0.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1991   -0.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1565    0.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6351    2.2630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6352    0.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5926    1.7595    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1566   -0.8017    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
M  END
$$$$
Mol_663
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -4.3552    0.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8555    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0794   -0.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3631   -1.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3034   -1.6214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5181   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8018    0.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7715    1.9904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1157   -0.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1459   -1.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3993    0.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
M  END
$$$$
Mol_664
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -7.6102    0.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1929    0.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8784   -0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5788    1.5874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4298   -0.8674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8471   -0.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  3  0
  7  8  1  0
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 10 11  2  0
 10 12  1  0
 12 13  1  0
M  END
$$$$
Mol_665
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -5.4542    0.8881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2529   -0.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6730   -0.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2614    2.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4627    1.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8412    2.0478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2854   -0.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4868   -0.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3095   -2.4206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7285   -1.8791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1863   -1.6512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 14  6  1  0
M  END
$$$$
Mol_666
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
    3.9041   -1.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7702   -0.8203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3935   -1.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 10 11  1  0
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 13 14  1  0
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 15  2  1  0
 13  6  1  0
 15  8  1  0
M  END
$$$$
Mol_667
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
   -9.8751    0.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5924   -0.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9925   -0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5900   -0.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9048    0.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
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 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
M  END
$$$$
Mol_668
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    5.8622    1.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7910    0.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1647   -0.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3460    1.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2748   -0.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6486   -1.4967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8299    0.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2413   -0.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1324   -2.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5049    1.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0600    1.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
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 10 11  2  0
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 13 15  1  0
 15 16  1  0
 16 10  1  0
M  END
$$$$
Mol_669
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    5.8622    1.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7910    0.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1647   -0.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3460    1.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2748   -0.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8299    0.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1324   -2.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0600    1.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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 15 16  2  0
 16 10  1  0
M  END
$$$$
Mol_670
     RDKit          2D

 15 18  0  0  0  0  0  0  0  0999 V2000
   -2.6597   -1.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2184   -0.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3764   -0.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  2  1  0
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 13  7  1  0
 12  8  1  0
M  END
$$$$
Mol_671
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
    2.8169   -0.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3389   -0.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7445    1.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16  2  1  0
 15  7  1  0
 16 12  1  0
M  END
$$$$
Mol_672
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
    1.7500   -3.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0696   -1.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8286    0.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 12  9  1  0
 15  5  1  0
M  END
$$$$
Mol_673
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.7631    2.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4579    0.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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  8  2  1  0
 12  2  1  0
M  END
$$$$
Mol_674
     RDKit          2D

 11 13  0  0  0  0  0  0  0  0999 V2000
    2.1092   -0.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 10  1  0
 10 11  1  0
 10  2  1  0
  9  5  1  0
 10  7  1  0
M  END
$$$$
Mol_675
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.7664   -2.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7913   -1.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5533    1.6514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310   -1.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
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  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
  6 15  1  0
 15  2  1  0
 13  9  1  0
M  END
$$$$
Mol_676
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.6401   -1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.5844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135   -0.7027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6401   -1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6317    1.9374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6317    1.9374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  8  2  1  0
M  END
$$$$
Mol_677
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -5.1740   -0.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7856    0.2766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5832    1.7629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5997   -0.6419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2113   -0.0740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9439   -2.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1605   -1.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3465   -2.8294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8931    0.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3252    1.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2437    2.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7300    2.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2978    1.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3793   -0.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9471   -1.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  3  0
  6 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 10  1  0
M  END
$$$$
Mol_678
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.4595   -0.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1274    0.3316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8642   -0.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9332   -1.9757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5321    0.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4631    1.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8690    2.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1322    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0633    0.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3264   -0.7162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2575   -2.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7311   -0.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  2  0
 12  5  1  0
M  END
$$$$
Mol_679
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
    2.6730   -2.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7277   -1.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2298   -1.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5856   -2.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3094    0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6959   -1.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1937   -1.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7329   -0.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1823    0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5683    0.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1818    2.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3161    2.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8553    1.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0199    1.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1142    0.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5140    0.7724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 15  2  1  0
 10  5  1  0
 13  5  1  0
M  END
$$$$
Mol_680
     RDKit          2D

 27 28  0  0  0  0  0  0  0  0999 V2000
   -7.3671    0.4478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5221   -0.7915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0263   -0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3755    0.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8797    0.7843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2290    2.1358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7332    2.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0824    3.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4134    3.7116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1119    1.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3512    1.8537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1274    0.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0153   -1.3322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9569   -0.2307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4527   -0.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1035    1.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5993    1.3452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4443    0.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9401    0.2180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7936   -1.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6386   -2.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9878   -3.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2978   -1.3578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0347   -0.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6854   -1.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1812   -1.9186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8320   -3.2701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
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 14 15  1  0
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 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  2  0
  5 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 26  3  1  0
 23 15  1  0
M  END
$$$$
Mol_681
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -0.7788   -2.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1377   -1.5940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9916   -0.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4866   -0.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1277   -1.8398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3405    0.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6994    2.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2045    2.2285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3506    0.9953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1444    1.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9983   -0.1151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4932    0.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3471   -1.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1343    1.3639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
  9  3  1  0
M  END
$$$$
Mol_682
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -4.6365    0.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3547   -0.3850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0391    0.3356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0053    1.8352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7573   -0.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6342   -1.9385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8256   -2.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6047   -1.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0786   -0.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5742    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5958    1.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1220    1.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6264    0.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  5  1  0
 13  8  1  0
M  END
$$$$
Mol_683
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -2.8660   -1.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6255   -0.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2141   -1.4476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7050   -0.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2043   -0.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9133   -1.6309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    0.9659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1383    0.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3696    2.3897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5787    0.5596    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7641    1.4787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  4  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10  2  1  0
M  END
$$$$
Mol_684
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -3.6633    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5295   -0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7226    0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1400    0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4392   -0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5731   -1.9640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0218   -1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2617   -2.9459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 12  3  1  0
M  END
$$$$
Mol_685
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -4.1297    0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2064   -0.5374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7210   -0.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1588    1.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3267    1.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8889    2.6608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2499    0.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2976    1.6870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6586   -0.8858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6877   -1.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6109   -2.4849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7977   -1.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3599   -2.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
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  6  8  2  0
  8  9  1  0
  9 10  2  0
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 14 15  1  0
 14  3  1  0
M  END
$$$$
Mol_686
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -5.0633    0.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5820    0.6353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6370   -0.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6194    1.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8620    1.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8070    0.1782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2883    0.4141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8246    1.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2706   -1.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2156   -2.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2107   -1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  2  0
 12  4  1  0
M  END
$$$$
Mol_687
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -5.2744    1.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2036   -0.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7585    0.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2426   -0.2473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1317    1.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9391    2.2557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5768    1.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6476    0.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0927    0.9592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1635   -0.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8282   -1.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4540   -2.7503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 14  6  1  0
M  END
$$$$
Mol_688
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.6350   -2.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4611   -0.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1870    1.0774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2236    0.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5140    0.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4968   -1.4687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1892   -2.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1011   -1.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
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 15 16  1  0
  8  4  1  0
 16  4  1  0
M  END
$$$$
Mol_689
     RDKit          2D

 36 36  0  0  0  0  0  0  0  0999 V2000
    5.0724   -3.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1285   -1.6724    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    5.1846   -0.1735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6275   -1.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6296   -1.6163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9644   -4.0443    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
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   -0.6729    3.7445    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
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    0.7289    1.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5248    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 33 36  1  0
 31  7  1  0
M  END
$$$$
Mol_690
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
    2.1476    1.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6449   -0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1239   -0.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6558   -1.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623   -2.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9422   -1.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2357   -2.6059    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9531   -0.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4460   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4750    2.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3404    0.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3530    1.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7890    2.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0919    0.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  4  5  1  0
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 13  2  1  0
 13  8  1  0
 14  8  1  0
M  END
$$$$
Mol_691
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -4.9461    1.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6884    0.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2798   -0.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0222   -1.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6136   -2.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9459   -1.6432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0967   -0.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5053   -1.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16  3  1  0
 15  6  1  0
 13  8  1  0
M  END
$$$$
Mol_692
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -6.8458   -0.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_693
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 20  3  1  0
  8  4  1  0
 20 12  2  0
M  END
$$$$
Mol_694
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -6.6358    1.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7685   -0.2051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5759    3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7279    1.9299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  8  3  1  0
 19 12  1  0
 20  6  1  0
 25 18  1  0
M  END
$$$$
Mol_695
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -7.7248   -2.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4905   -1.9566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5254    1.7593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 29 30  2  0
 29 31  1  0
 10  5  1  0
 21 12  1  0
 28 23  1  0
 22  8  1  0
M  END
$$$$
Mol_696
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -3.9229    3.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3438    2.1164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6436    0.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8137    0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8501    1.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4292    2.8271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
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 23 24  1  0
 23  3  1  0
 22  9  1  0
 20 14  1  0
M  END
$$$$
Mol_697
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
    4.1352   -2.3089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4623   -0.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3148    0.0060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8423    1.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6592    0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7152   -0.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
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  4  5  1  0
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 12  7  1  0
 20 16  1  0
 15 10  1  0
M  END
$$$$
Mol_698
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.1944   -3.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9525   -2.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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 16  2  1  0
 26 19  1  0
 14  5  1  0
M  END
$$$$
Mol_699
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
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  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
M  END
$$$$
Mol_700
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -3.6504   -1.3178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3042    0.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3950    1.1713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8671    0.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7763   -0.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6608   -0.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0071    1.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4442    1.8610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5350    0.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1887   -0.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7516   -1.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4053   -2.5174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11  6  1  0
M  END
$$$$
Mol_701
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.0818   -1.2606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6020    0.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5928    1.2868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1313    0.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1404   -0.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3303   -0.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8101    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2808    1.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2717    0.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7424    0.5098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7919   -1.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3212   -1.5015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12  6  1  0
M  END
$$$$
Mol_702
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.9158    0.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4534    0.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   -0.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9709   -0.3425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5285    1.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9340    1.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9540    0.3245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4165    0.6580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4365   -0.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5116   -1.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0492   -1.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  2  0
 11  4  1  0
M  END
$$$$
Mol_703
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -4.9314   -0.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6609   -0.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7163    1.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3351   -0.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0646    0.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2612   -0.6726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5317    0.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4763    1.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8575   -0.5768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1280    0.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4538   -0.4810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
M  END
$$$$
Mol_704
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -5.9021    1.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7552    0.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3445    0.5976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1976   -0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4615   -1.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7869    0.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3599   -0.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7706   -0.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0345    1.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4452    1.6701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5920    0.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3282   -0.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9175   -1.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
M  END
$$$$
Mol_705
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    2.9021   -3.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2543   -2.0881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1676   -1.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7288   -1.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3578   -0.4440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7966   -0.8681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833    0.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3221   -0.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6743   -1.7161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4087    0.7760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0056    1.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4332    1.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7854    2.8962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6987    3.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5198    0.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9586    0.8281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  5 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  2  0
 15 16  1  0
 15  3  1  0
M  END
$$$$
Mol_706
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -4.9314   -0.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6609   -0.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7163    1.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3351   -0.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0646    0.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2612   -0.6726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5317    0.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4763    1.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8575   -0.5768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1280    0.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4538   -0.4810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  2  0
M  END
$$$$
Mol_707
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -4.5606    0.8537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4098   -0.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6676   -1.5861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0012    0.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8504   -0.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582   -0.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8161    1.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3347    2.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2247    1.9536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3755    0.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1176   -0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7090   -1.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4613   -2.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5617   -1.9679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 12  6  1  0
M  END
$$$$
Mol_708
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.7325   -2.4472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6820   -0.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3585   -0.2422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0854   -1.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2381   -0.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5112   -1.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8347   -0.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8852    1.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2088    1.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4818    0.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4313   -0.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1078   -1.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8415   -1.0158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7635    0.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9232    1.4099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9551   -0.1548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2786   -0.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5517   -0.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5012    1.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1777    2.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9046    1.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
  2 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 12  7  1  0
 21 16  1  0
 15 10  1  0
M  END
$$$$
Mol_709
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.4932    0.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4932   -0.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9651   -0.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9515   -1.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4233   -1.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9087    0.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9223    1.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4505    1.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9651    0.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9515    1.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4233    1.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9087   -0.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9223   -1.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4505   -1.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  1  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  8  3  1  0
 14  9  1  0
M  END
$$$$
Mol_710
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
  -11.4939    0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1786   -0.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8964    0.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5812   -0.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2990    0.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9837   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7015    0.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3863   -0.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1041    0.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2111   -0.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4933    0.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8086   -0.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0908    0.5639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4060   -0.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6882    0.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0035   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0365   -1.5997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2857    0.6784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6009   -0.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
M  END
$$$$
Mol_711
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
   10.3740    3.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8782    2.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2281    1.5511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7323    1.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0821    0.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5864   -0.0263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9362   -1.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7818   -2.6170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4405   -1.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7903   -2.8426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2945   -2.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5510   -1.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0468   -1.8293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8924   -0.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3881   -0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2337    0.5358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7294    0.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5750    1.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0708    1.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7209    0.1973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9163    2.7880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
M  END
$$$$
Mol_712
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    5.1316    1.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7140    0.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4296   -0.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0119   -1.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8786   -0.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5391   -0.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6723    0.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0900   -0.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2233    0.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6410    0.2490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
M  END
$$$$
Mol_713
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -4.5243   -1.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4402   -0.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7959    1.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0004   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9163    0.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5236   -0.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6077    0.8837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2520    2.3410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0475    0.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4033   -0.9940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8431   -1.4146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  2  0
M  END
$$$$
Mol_714
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -4.6666   -2.6810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0804   -1.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9830   -0.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3967    1.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2993    2.4765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9079    1.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0053    0.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5164    0.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3862   -0.7524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750   -0.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7776   -1.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2664   -1.5852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8527   -0.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3415   -0.0219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9501    0.9935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5363    2.3742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4612    0.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5915   -1.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  2  0
  7 18  2  0
 18  2  1  0
 17 10  1  0
M  END
$$$$
Mol_715
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -4.2741   -1.4221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9076    0.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9841    1.0771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4647    0.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3883   -0.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0546   -0.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4211    1.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8639    1.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9404    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3833    1.0376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5740   -0.8269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6504   -1.8715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1311   -1.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  2  0
 13  6  1  0
M  END
$$$$
Mol_716
     RDKit          2D

  9 10  0  0  0  0  0  0  0  0999 V2000
    2.6329    0.9271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2765    0.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1528   -1.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2036   -1.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3390   -0.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2474    0.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3928    1.5730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0437    1.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0770   -0.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8  2  1  0
  9  5  1  0
M  END
$$$$
Mol_717
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.4311   -2.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9676   -0.7256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5003   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4966   -1.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9706   -1.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9743   -2.3313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4341    0.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9013    0.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3649    1.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9050   -0.5929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4304    1.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0368    1.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0405    2.1275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5077    1.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
  7 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 12  3  1  0
M  END
$$$$
Mol_718
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.9340   -0.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5752    0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3456   -0.7383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9868   -0.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8577    1.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5011    2.0269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7308    1.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0895    1.8032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6016   -0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8313   -1.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7021   -2.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2428   -0.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  2  0
 12  4  1  0
M  END
$$$$
Mol_719
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -1.3365    2.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5862    0.6598    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9295   -0.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2590    0.6869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7099   -1.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2308   -1.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5363   -0.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9475   -0.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8796   -1.3672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3635   -1.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9152    0.2473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9831    1.4225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4993    1.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
  7  2  1  0
 13  8  1  0
M  END
$$$$
Mol_720
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
    4.2702    1.9471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7883    1.7146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2486    0.3151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909   -0.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6512   -2.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1693   -2.4841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2271   -1.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2548   -1.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7944   -2.9489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1970   -0.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6948   -0.3015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0809    1.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8217    1.9630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6574    1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1755    1.2498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3642    2.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17  3  1  0
 17  7  2  0
 14 10  2  0
M  END
$$$$
Mol_721
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -5.4705    0.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4470   -0.5846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9856   -0.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5478    1.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0864    1.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6486    2.9611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8128    3.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2506    4.7340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8364    2.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3985    0.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4221   -0.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9843   -1.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0079   -2.8596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4693   -2.5214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9071   -1.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8835    0.0098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0628    0.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5006   -1.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9620   -1.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3998   -2.7776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8612   -3.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 10 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 19  3  1  0
 17  5  2  0
 16 11  1  0
M  END
$$$$
Mol_722
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.4599    0.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9927    0.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3826    1.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1092    1.6361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4211    0.1689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7914   -0.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0049    0.4406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3753   -0.1695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8779   -0.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9926   -1.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0038   -1.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  5  9  1  0
  9 10  1  0
  9 11  1  0
  9  2  1  0
M  END
$$$$
Mol_723
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
    3.5951   -1.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1311   -1.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1163   -2.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3477   -1.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7970   -0.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2177    0.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6817    0.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8122    1.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1186    2.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2157    2.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6190    1.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9834    1.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9977    0.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2602   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8834   -2.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
  7  2  1  0
 11  5  1  0
 14  5  1  0
M  END
$$$$
Mol_724
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -6.0000   -0.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -0.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -2.2269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    0.3712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    0.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    0.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -0.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -2.2269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    0.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
M  END
$$$$
Mol_725
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.2351   -2.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3313   -1.1391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0830   -0.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7386   -0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5097   -0.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8542   -0.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1024    0.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4469   -0.6392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6952    0.1925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4135    1.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9310    2.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    1.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5237    1.8548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  5 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12  3  1  0
M  END
$$$$
Mol_726
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
   -6.2301   -2.1539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4552   -0.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1801    0.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9555   -0.8984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1807    0.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6809    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9061    1.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6310    2.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5936    1.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3185    0.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8182    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5431   -1.0426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7683   -2.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0428   -1.0715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8177    0.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3174    0.1840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
M  END
$$$$
Mol_727
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
   -7.3013   -1.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0895   -0.3224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2493    1.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7180   -0.9297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5063   -0.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1347   -0.6530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9230    0.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0827    1.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4486   -0.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6603    0.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0319   -0.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2436    0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0838    2.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6152    0.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750   -1.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1465   -1.9215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  2  4  2  0
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  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
M  END
$$$$
Mol_728
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
    5.9171    2.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3242    1.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2210    0.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8345    1.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2416   -0.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7519   -0.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1590   -1.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0558   -3.0279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3307   -2.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2275   -0.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7172   -0.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6140    0.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0211    1.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1037    0.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0005    1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4902    1.0797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
M  END
$$$$
Mol_729
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -6.4952    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
M  END
$$$$
Mol_730
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
   -9.0933    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  2  0
 17 18  1  0
 17 19  1  0
M  END
$$$$
Mol_731
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -6.0000   -0.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -0.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -2.2269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    0.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    0.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    0.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -0.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -2.2269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    0.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
M  END
$$$$
Mol_732
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.3385   -1.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0218   -0.5652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9857    0.9344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2664    1.7154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7411   -1.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5756   -0.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6116    0.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9283    1.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2089    0.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1729   -0.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8562   -1.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
M  END
$$$$
Mol_733
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -5.0633    0.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5820    0.6353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6370   -0.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1557   -0.2937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6194    1.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8620    1.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8070    0.1782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2883    0.4141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8246    1.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2706   -1.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2156   -2.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2107   -1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  2  0
 12  4  1  0
M  END
$$$$
Mol_734
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
   -1.1171   -0.4189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6441   -1.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6404   -2.9637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1097   -2.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5826   -1.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5863   -0.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0593    1.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5286    1.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0015    3.0323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5249    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9941    0.7897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0519   -0.9360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8251   -2.1445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8214   -1.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2907   -1.3253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2870   -0.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2183   -1.3798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6067    0.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6491    2.0084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8840   -0.2774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8140    1.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3447    1.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8718    2.9451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3485    0.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    0.7025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
  2 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 18 20  1  0
 16 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 12  5  1  0
 24 14  1  0
M  END
$$$$
Mol_735
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
   -0.0815   -1.7896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2871   -0.3356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7307    0.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8055   -0.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2491   -0.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3239   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7674   -1.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1361    0.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5796    0.6570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0612    1.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4298    2.7494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6177    0.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7877    0.7107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2313    0.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3061    1.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7497    0.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9006    2.4338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2456    1.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0893   -0.1883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8978    2.4028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1183   -0.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0434   -1.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4120   -3.0128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5999   -1.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250   -2.1973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
  2 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 18 20  1  0
 16 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 12  5  1  0
 24 14  1  0
M  END
$$$$
Mol_736
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -3.5266   -0.1278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0969   -0.5816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9891    0.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1774    1.3451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2939    1.7589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2048    1.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0083    0.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5070    0.6175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3132   -0.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -2.0409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1855   -0.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8806   -2.1661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11  3  1  0
M  END
$$$$
Mol_737
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -5.6074   -0.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2653    0.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0141   -0.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6720    0.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9213    0.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1725   -0.6578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5146    0.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7658   -0.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6055    1.5094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
M  END
$$$$
Mol_738
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.5166   -0.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0849   -0.9568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9815    0.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3098    1.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2064    2.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2252    2.0916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5535    0.6280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9852    0.1805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4502   -0.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7785   -1.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1068   -3.3154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  3  0
  9  3  2  0
M  END
$$$$
Mol_739
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
   -9.0895   -0.4574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7973    0.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4915   -0.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1993    0.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8936   -0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6014    0.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2956   -0.3868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3024   -0.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5946    0.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5810    1.8985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9004   -0.3396    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1925    0.4221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4983   -0.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7905    0.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5119   -1.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
M  END
$$$$
Mol_740
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.8748   -0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4825    0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3029   -0.5880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0893   -0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2689   -0.9563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3020    1.4551    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
M  END
$$$$
Mol_741
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -3.3677   -1.6496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2656   -0.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5106    0.6836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9185    0.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8164    2.0033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6735   -0.3299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7756   -1.8264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6735    0.3299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7756    1.8264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9185   -0.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8164   -2.0033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3677    1.6496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5106   -0.6836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 12 14  1  0
M  END
$$$$
Mol_742
     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.4596    2.9654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4469    1.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9408    1.9709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5307    0.5918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8186   -0.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1977    0.4127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4852   -1.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9913   -1.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4014   -0.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4008   -1.5129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1135    0.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3221   -0.9007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3061    0.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4355   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1286    1.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6288    1.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8980    0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
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 13 14  1  0
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 17 18  2  0
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 19 20  2  0
 20 21  1  0
 21 22  2  0
 11  2  1  0
 22 14  1  0
  9  4  1  0
 22 17  1  0
M  END
$$$$
Mol_743
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -5.1543   -3.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3262   -1.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7638   -1.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9974   -0.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1713    1.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6739    0.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3451    2.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5190    3.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8478    2.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3505    2.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6793    0.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5054   -0.4387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6442    1.9758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8127    0.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7477    0.8835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1381    1.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1605   -1.9591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0027   -0.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8289   -1.6013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9 10  1  0
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 12 31  1  0
 31 32  1  0
 32  2  1  0
 31  6  1  0
 17 11  1  0
 29 21  1  0
 29 16  1  0
M  END
$$$$
Mol_744
     RDKit          2D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -3.9685    3.0698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3856    1.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8972    1.5014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9917    2.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4967    2.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0796    1.1289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5680    0.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1509   -0.4394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2454   -1.6353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7570   -1.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1485   -2.6449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4344   -4.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4711   -5.2229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9228   -4.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8283   -3.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -3.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8996   -4.5857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4734    2.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9618    1.9523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8905    3.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7960    4.7165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4021    3.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8192    5.0890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2911    0.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7795    0.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6850   -0.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1021   -1.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6137   -2.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7082   -0.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
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  7 18  1  0
 18 19  1  0
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 22 23  1  0
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 28 29  2  0
 22  5  1  0
 29 24  1  0
 15  9  1  0
M  END
$$$$
Mol_745
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
    6.7523   -2.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3552   -2.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1295   -0.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7324   -0.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5610   -1.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1639   -0.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9382    0.9674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4589    1.5134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6303    0.5765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0274    1.1225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1988    0.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5959    0.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8216    2.2145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9731   -1.2974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1444   -2.2343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5760   -1.8434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0075   -1.4524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1096    1.9043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8839    3.3873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0553    4.3242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5067    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
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 18 19  1  0
  7 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  2  0
 23  4  1  0
 18  9  1  0
M  END
$$$$
Mol_746
     RDKit          2D

 35 38  0  0  0  0  0  0  0  0999 V2000
   -2.5143    4.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8012    3.2612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7772    1.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4664    1.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4425   -0.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1316   -1.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2031   -3.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2271   -4.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5618   -7.1546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8248   -4.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.3750    1.7199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 31 34  2  0
 34 35  1  0
 34  3  1  0
 17  6  1  0
 28 19  1  0
 15  8  1  0
M  CHG  1   7   1
M  END
$$$$
Mol_747
     RDKit          2D

 34 35  0  0  0  0  0  0  0  0999 V2000
    3.8693   -2.8451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1372    1.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8866   -4.1131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
  2 13  1  0
 13 14  1  0
 14 15  1  0
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 14 18  1  0
 18 19  1  0
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 23 24  1  0
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 25 26  1  0
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 27 28  1  0
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 29 30  1  0
 29 31  2  0
 18 32  1  0
 32 33  2  0
 32 34  1  0
 12  5  1  0
 31 24  1  0
M  END
$$$$
Mol_748
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.2324   -3.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8131   -1.9172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9056   -0.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4176   -0.9115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5101    0.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9780    0.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8854    1.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3047    2.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3735    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9541   -0.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4422   -0.4717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0467   -1.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0908    1.6660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5789    1.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1596    3.2377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4863    0.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
  5 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18  3  2  0
 13  6  1  0
M  END
$$$$
Mol_749
     RDKit          2D

 34 36  0  0  0  0  0  0  0  0999 V2000
    3.0464   -1.9882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2851   -0.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6870    0.0263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8501   -0.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2519   -0.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4150   -1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8169   -0.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0557    0.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4575    1.2137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8926    1.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1314    3.1081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4907    1.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1220    0.4399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7202   -0.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4854   -1.6947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6485   -0.7475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0503   -1.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2134   -0.3340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9747    1.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1377    2.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5396    1.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7027    2.5077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.1802   -0.4540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4814   -1.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6445   -2.5219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
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  2 13  1  0
 13 14  1  0
 14 15  1  0
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 31 32  1  0
 31 33  1  0
 33 34  1  0
 12  5  1  0
 33 14  1  0
 30 23  1  0
M  END
$$$$
Mol_750
     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
    6.8825    1.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3867    1.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5410    0.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0452    0.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1994   -0.6441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8494   -1.9960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7037   -0.5310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1421   -1.7699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5079   -3.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6378   -1.6568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2878   -0.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5761    1.0155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6120    2.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9639    1.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2843    2.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7635   -0.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8483   -1.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 16 11  1  0
M  END
$$$$
Mol_751
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.4948   -0.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1972    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8967   -0.3767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5992    0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2986   -0.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0011    0.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7006   -0.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4030    0.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1025   -0.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8049    0.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4956   -0.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7931    0.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0936   -0.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3912    0.4015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6917   -0.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9893    0.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9863    1.9066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2898   -0.3408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2927   -1.8408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5873    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8879   -0.3357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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 10 11  1  0
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 15 16  1  0
 16 17  1  0
 16 18  1  0
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 18 20  1  0
 20 21  1  0
M  END
$$$$
Mol_752
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.2453    3.0860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6033    1.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1083    1.6084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448    2.8422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5337    0.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8818    1.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3768    1.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0188   -0.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5138   -0.2349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8076   -2.7025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6707   -1.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3194   -0.9811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0157   -3.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9514    0.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5934    1.9741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4564    0.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  2  0
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  9 10  1  0
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 11 12  1  0
 11 13  2  0
  5 14  1  0
 14 15  1  0
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 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22  2  1  0
 13  6  1  0
 22 15  1  0
M  END
$$$$
Mol_753
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -6.8394    1.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2583    0.0434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7702   -0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7634   -2.2807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1587   -1.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0658   -0.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5539   -0.2679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4847    1.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9966    1.4915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4155    2.8744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0203    1.8680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7010   -1.7160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1891   -1.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
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 14 15  1  0
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 15 17  2  0
 17 18  1  0
 18 19  2  0
  6 20  1  0
 20 21  2  0
 21  3  1  0
 18  7  1  0
 17 10  1  0
M  END
$$$$
Mol_754
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
    5.3730    1.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9139    0.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3960   -0.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3372    1.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8193    0.8479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9728   -1.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4907   -0.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5495   -1.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0674   -1.7316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1262   -2.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5265   -0.3325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.7663   -1.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3661    1.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  2  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
M  END
$$$$
Mol_755
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
    5.3659    1.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9188    0.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7079    1.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0010    3.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5260    3.3769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9212    2.9822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5148    1.6047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6474    0.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5846   -0.8775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8778   -2.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6669   -3.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8082   -3.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8710   -4.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9408   -2.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3879   -1.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9816   -0.6023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9139   -0.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8291   -1.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9253    0.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  1  0
 10 18  1  0
 18 19  1  0
 18 20  1  0
 17  2  1  0
 18  9  1  0
M  END
$$$$
Mol_756
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -2.0801   -4.7883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6641   -3.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7042   -2.2663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3282    0.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9122    1.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9522    2.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4083    2.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4484    3.4983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8244    0.9763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7843   -0.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8321   -0.4649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2080   -1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0801    0.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5362    0.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9522    2.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4083    2.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4484    1.3366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9122    3.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3282    4.5791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4561    2.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4160    3.8586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0401    1.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4160    0.9763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1603   -1.9060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2881   -3.7075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8321   -4.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4160   -5.5089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2080   -2.9869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
  4 12  1  0
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 13 14  2  0
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 22 23  1  0
 22 24  1  0
 24 25  1  0
 14 26  1  0
 26 27  1  0
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 29 31  2  0
 31  2  1  0
 11  5  1  0
 31 13  1  0
 24 15  1  0
M  END
$$$$
Mol_757
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -7.0816    1.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4377    0.1430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9425    0.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0912    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5960    1.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9520   -0.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1871   -1.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6824   -1.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3263   -3.1649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5336   -0.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0288   -0.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6728   -2.0496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8801    0.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2361    1.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0874    3.1300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3944    0.8993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8033   -1.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2985   -1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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 11 12  2  0
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 17 18  2  0
 18 19  1  0
  6 20  1  0
 20 21  2  0
 21  3  1  0
 19  7  1  0
 18 11  1  0
M  END
$$$$
Mol_758
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.7994   -3.1938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2309   -1.8057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2555   -1.6040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.7695    0.5908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2282   -1.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0938    0.9705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9023    2.9399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5530    0.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6351   -0.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2036   -2.2091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1487   -0.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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 11  5  1  0
 20 13  1  0
M  END
$$$$
Mol_759
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.9071   -3.1913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4102   -1.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0639   -1.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0349    0.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9832    0.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 16 18  2  0
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 21  2  1  0
 12  5  1  0
 21 14  1  0
M  END
$$$$
Mol_760
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
    4.9407    5.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    4.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 13 14  1  0
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 17 18  1  0
 18 19  2  0
 18 20  1  0
M  END
$$$$
Mol_761
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
    5.0334   -1.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2173    0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3972    1.5502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 25  6  1  0
 15  8  1  0
 24 17  1  0
M  END
$$$$
Mol_762
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -3.9452   -1.9906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7113    0.4721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7490    0.6954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3278    1.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8474    2.3735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
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 13 14  1  0
 13  3  1  0
 11  5  2  0
M  END
$$$$
Mol_763
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -0.9322   -2.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3510   -1.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6326    2.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7595    1.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5732   -1.6259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0328    0.2469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7243    1.5719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 10  2  1  0
M  END
$$$$
Mol_764
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.2351   -2.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3313   -1.1391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0830   -0.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7386   -0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5097   -0.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6952    0.1925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9310    2.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    1.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5237    1.8548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
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  5 10  2  0
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 12 13  1  0
 12  3  1  0
M  END
$$$$
Mol_765
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -2.6622    4.4820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2193    3.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_766
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
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 30 32  2  0
 32  2  1  0
 12  5  1  0
 32 14  1  0
 27 18  1  0
M  END
$$$$
Mol_767
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 21  3  1  0
 18  6  1  0
 17 10  1  0
M  END
$$$$
Mol_768
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.1069    4.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7460    2.6581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2436    2.9082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
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 21 22  1  0
 22 23  2  0
 22  3  1  0
 12  5  1  0
 21 14  1  0
M  END
$$$$
Mol_769
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -1.9471   -3.7128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.0216    2.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.5751    1.7244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6065   -3.2339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0850   -1.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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  5  6  2  0
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 10 11  2  0
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 31  2  1  0
 11  5  1  0
 31 13  1  0
 26 17  1  0
M  END
$$$$
Mol_770
     RDKit          2D

 40 44  0  0  0  0  0  0  0  0999 V2000
   -5.0639   -3.6240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.8396    1.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.7275    3.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1372    3.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2859    4.1529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3981    1.7112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_771
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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M  END
$$$$
Mol_772
     RDKit          2D

 40 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_773
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_774
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_775
     RDKit          2D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_776
     RDKit          2D

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    4.2281    2.0150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2682    1.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7965    2.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8 10  1  0
 10 11  2  0
  4 12  1  0
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 17 18  1  0
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 20 21  1  0
 21 22  2  0
 21  3  1  0
 11  5  1  0
 20 13  1  0
M  END
$$$$
Mol_777
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.8066    3.0899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2601    1.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2229    1.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1594    2.6395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7694    0.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2524   -0.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1889    1.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6719    0.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2184   -0.6047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7014   -0.8299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2818   -1.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6796    0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2261    2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1966    0.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
  5 13  1  0
 13 14  1  0
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 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 21  2  1  0
 12  6  1  0
 21 14  1  0
M  END
$$$$
Mol_778
     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
   -0.9888   -2.8488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7600   -1.5623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2598   -1.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0310   -0.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5308   -0.3248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3023    1.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8025    1.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0872    2.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4016    1.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1333   -1.1963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1018    0.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5195    0.2419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6526    1.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3680    2.6975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0704    0.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3550   -0.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2219   -1.7207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7728   -1.2277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
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 16 17  1  0
 17 18  2  0
 17 19  1  0
 10  2  1  0
M  END
$$$$
Mol_779
     RDKit          2D

 42 43  0  0  0  0  0  0  0  0999 V2000
   11.1421   -2.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4086   -1.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3457    0.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0164    0.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7499    0.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4206    0.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3578    2.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1541   -0.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8248    0.6196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5584   -0.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2290    0.5108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1662    2.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3337   -1.9422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7379   -2.0511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
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 13 14  1  0
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 22 23  1  0
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 29 30  1  0
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 36 37  1  0
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 39 40  1  0
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 40 42  1  0
 42  2  1  0
 33 26  1  0
M  END
$$$$
Mol_780
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
    2.5982    4.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4748    3.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9673    3.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8439    2.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2282    0.8541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1048   -0.3631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4891   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9966   -1.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809   -3.2493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8885   -3.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0118   -2.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4806   -2.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2188   -0.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
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  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
M  END
$$$$
Mol_781
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -5.6958    0.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5911   -0.7505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1600   -0.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4025    1.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 13 14  2  0
 14 15  1  0
 15 16  2  0
  8  3  1  0
 16 10  1  0
 16  6  1  0
M  END
$$$$
Mol_782
     RDKit          2D

 46 51  0  0  0  0  0  0  0  0999 V2000
    2.4987   -6.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493   -4.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2333    0.6316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8166   -0.2836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  2  0
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  6  7  1  0
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 26 44  1  0
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 44  5  1  0
 24  6  1  0
 43 32  1  0
 22  8  1  0
 19  9  2  0
 18 11  1  0
M  END
$$$$
Mol_783
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.2261   -1.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2864   -0.5430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6783    0.6057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.5867   -0.4386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7635   -0.2819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  3 11  2  0
 11 12  1  0
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 13 14  2  0
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 17 18  1  0
 18 19  1  0
 18 20  2  0
 20  2  1  0
 10  4  1  0
 20 13  1  0
M  END
$$$$
Mol_784
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
  -11.0309   -2.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0329   -1.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5641   -1.4093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5661   -0.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0973   -0.5939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6326    1.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2406    1.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6490   -0.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1198   -2.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1219   -3.3330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5886   -2.5175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
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 18 19  2  0
 18 20  1  0
M  END
$$$$
Mol_785
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    5.1339   -2.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8580   -1.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3061   -0.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0819    2.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0624    3.2136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2376   -0.6618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5092   -3.1557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
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 13 14  2  0
 13 15  1  0
 11  6  1  0
M  END
$$$$
Mol_786
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
    3.4509    0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9733    0.5335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4583   -0.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0192   -1.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9818    0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4594   -0.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4220    0.9086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
M  END
$$$$
Mol_787
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -3.8971   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
M  END
$$$$
Mol_788
     RDKit          2D

 41 43  0  0  0  0  0  0  0  0999 V2000
   13.9525   -2.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9814   -0.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6971   -0.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3838   -0.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0995   -0.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7862   -0.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7574   -2.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5019   -0.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9043    0.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2440    1.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2402    2.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0392    2.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3236    1.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2947   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
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  6  7  1  0
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 41  2  1  0
 28 26  1  0
 33 26  1  0
M  END
$$$$
Mol_789
     RDKit          2D

 24 23  0  0  0  0  0  0  0  0999 V2000
    3.2665   -1.8418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1405    0.4478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7385    0.4742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0451   -0.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_790
     RDKit          2D

 41 42  0  0  0  0  0  0  0  0999 V2000
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  9  2  1  0
 39 32  1  0
M  END
$$$$
Mol_791
     RDKit          2D

 41 42  0  0  0  0  0  0  0  0999 V2000
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 41  2  1  0
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M  END
$$$$
Mol_792
     RDKit          2D

 42 43  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0
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M  END
$$$$
Mol_793
     RDKit          2D

 41 41  0  0  0  0  0  0  0  0999 V2000
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   14.8339   -1.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9056   -1.8789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
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 14 15  1  0
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 17 18  1  0
 17 19  2  0
 19 20  1  0
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 21 22  1  0
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 23 24  1  0
 23 25  1  0
 25 26  2  0
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 28 29  1  0
 28 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 39 40  1  0
 39 41  1  0
 39 32  1  0
M  END
$$$$
Mol_794
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -7.2343    3.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8319    1.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1220   -2.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1722   -3.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6694   -2.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1182   -3.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0722    0.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3291    2.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7314    3.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8764    1.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
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 13 14  1  0
 14 15  2  0
 15 16  1  0
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 17 19  1  0
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 23 24  1  0
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 25 26  1  0
 26 27  1  0
  3 28  1  0
 28 29  1  0
 28 30  1  0
 26  8  1  0
 26 11  1  0
 23 12  1  0
 21 15  1  0
M  END
$$$$
Mol_795
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -4.7033    4.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4022    2.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9790    2.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5242    1.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9474    2.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2231    0.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7999   -0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4988   -1.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6209   -2.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0757   -2.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6226   -3.6182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3513   -2.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7261   -1.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9331   -2.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4756   -0.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8503    0.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0180    1.6848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3928    2.2848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8110    2.5753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0615    1.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8938   -0.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6867    0.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6880    0.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8557   -1.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1492   -0.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
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 23 25  1  0
 25 26  1  0
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 27 28  1  0
 28 29  1  0
 28 10  1  0
 28 13  1  0
 25 14  1  0
 23 17  1  0
M  END
$$$$
Mol_796
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
  -10.9048    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5900   -0.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3073    0.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9925   -0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7098    0.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3950   -0.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1124    0.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7976   -0.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5149    0.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7999   -0.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0826    0.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3974   -0.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6801    0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9949   -0.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2776    0.6142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5924   -0.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6245   -1.6075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8751    0.6698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
M  END
$$$$
Mol_797
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -7.2343    3.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8319    1.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3793    1.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9769   -0.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5243   -0.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1220   -2.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1722   -3.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6694   -2.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1182   -3.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3789   -3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7530   -2.2807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828   -1.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3487   -2.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6785   -1.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7424   -0.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0722    0.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1361    1.9940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4659    2.6880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5403    2.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4765    0.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2105    1.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1467   -0.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8807    0.7166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4490    0.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7314    3.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8764    1.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
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  9 10  1  0
 10 11  1  0
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 13 14  1  0
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  3 28  1  0
 28 29  1  0
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 26  8  1  0
 26 11  1  0
 23 12  1  0
 21 15  1  0
M  END
$$$$
Mol_798
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -2.9339   -1.6981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6759   -0.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2352    0.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3859    1.1887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7946    0.6733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0526   -0.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4613   -1.3197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9019   -1.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4932   -1.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5685    2.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0092    1.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3995    2.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3355   -3.5541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3745   -2.1450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2672    0.2949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  3 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
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 29 30  1  0
 29 31  2  0
 31  2  1  0
 10  4  1  0
 31 13  1  0
 26 17  1  0
M  END
$$$$
Mol_799
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -4.3187   -0.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9483   -0.3280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7914    1.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4211    1.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2076    0.8920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1627    1.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3762    0.6202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7466    1.2302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2193   -0.8715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4328   -1.7533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8489   -1.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3645   -0.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7349   -1.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13  2  1  0
 12  5  1  0
M  END
$$$$
Mol_800
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.8262   -1.4281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3710   -1.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3283   -2.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8731   -1.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4607   -0.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0055    0.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5930    1.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8622    1.8336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9049    0.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3601    1.1193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4028    0.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8580    0.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2705    1.8471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9904   -1.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0332   -2.4795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5352   -1.7651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1228   -3.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4925   -0.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0373   -1.0508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6358    2.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2234    3.9902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0910    2.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5034    0.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9586    0.3780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
  7 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24  2  1  0
 23  5  1  0
 18  9  1  0
M  END
$$$$
Mol_801
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -3.8971   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12  2  1  0
 11  5  1  0
M  END
$$$$
Mol_802
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.1036   -3.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2352   -2.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2111   -2.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5746   -1.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1959   -0.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8386    1.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0729    1.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6155    1.8714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1204    1.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9471    0.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0876   -0.7967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5810   -0.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4405    0.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3001    2.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9339    0.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 11  2  1  0
 13 10  1  0
M  END
$$$$
Mol_803
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
   -6.4343   -1.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9382   -1.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0959   -0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7496    0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5999   -0.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7575    0.6489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2615    0.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5809    1.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0728    3.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0769    1.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7306    0.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2266    0.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8803   -1.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3764   -1.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0380   -2.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
M  END
$$$$
Mol_804
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
   -6.1622   -1.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8263   -1.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7491    0.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0079    1.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4132    1.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1545    0.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8186    0.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4402    0.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3630   -1.3705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7760    0.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0348   -0.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3707    0.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6294   -0.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9653    0.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5523   -1.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
M  END
$$$$
Mol_805
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    3.7536   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0036    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7536    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5036   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0401   -1.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1734   -2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3870   -1.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9248   -0.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8870   -1.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3505    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8870    1.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3870    1.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9248    0.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1734    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0401    1.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15  4  1  0
M  END
$$$$
Mol_806
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.5278   -0.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5040   -1.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9366   -1.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1274    0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4836    1.7824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9837    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4099    0.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2904    2.5511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5397    1.7210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1420    0.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8721   -0.9631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6190    0.6086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1425   -0.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9064   -2.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5391   -2.6532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15  2  1  0
M  END
$$$$
Mol_807
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.1159   -3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2686   -2.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1843   -2.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5370   -1.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1564   -0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7528    1.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9724    1.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5150    1.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0222    1.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0271    0.6856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1420   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6376   -0.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5227    0.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4078    2.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0183    0.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 11  2  1  0
 13 10  1  0
M  END
$$$$
Mol_808
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -4.6765    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3775   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0785    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0785    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7794   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1177   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1177    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
M  END
$$$$
Mol_809
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.0687   -3.2040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5397   -1.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9404   -1.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4694   -0.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9495    0.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9585    1.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0
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M  END
$$$$
Mol_810
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -6.0591    1.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20  7  1  0
 16 10  1  0
M  END
$$$$
Mol_811
     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -5.3761   -2.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 11  1  0
M  END
$$$$
Mol_812
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_813
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -5.5807   -2.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_814
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_815
     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 24  7  1  0
 21  9  1  0
M  END
$$$$
Mol_816
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -4.8399    2.5928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 10  1  0
M  END
$$$$
Mol_817
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_818
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.6016   -3.4048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_819
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.9711    3.1653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_820
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.3107    3.1056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_821
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_822
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -3.1442    4.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0524    2.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4727    1.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9847    1.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4050   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0829   -0.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6626   -1.7214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1506   -1.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7303   -3.2945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0588   -0.7173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5468   -0.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1265   -2.2904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4551    0.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8753    1.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7836    2.8640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3874    1.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4791    0.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9912    0.8558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3133   -1.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8012   -1.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7095   -2.3462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1974   -2.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3809    0.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8689    0.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
  5 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  2  0
 23 24  1  0
 23  3  1  0
 18  6  1  0
 17 10  1  0
M  END
$$$$
Mol_823
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -4.4030   -2.8203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8666   -1.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8115   -0.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2751    1.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2200    2.3112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7937    1.3821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8488    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3675    0.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5775   -0.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0588   -0.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0037   -1.6410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4851   -1.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0215   -0.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5028    0.2315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0766    1.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5952    0.9247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6503    2.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3852   -1.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
  7 18  2  0
 18  2  1  0
 16 10  1  0
M  END
$$$$
Mol_824
     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.1770   -2.6786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6093   -3.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7112   -2.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3807   -0.6431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4826    0.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1521    1.8379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7197    2.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3892    3.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0431    4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3736    5.6549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1450    3.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8145    1.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9164    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3487    1.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4506    0.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8830    0.5659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9848   -0.4518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6543   -1.9150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7562   -2.9328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2220   -2.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1201   -1.3425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6179    1.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9149   -0.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0168    0.9472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2454   -1.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6778   -1.9791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1436   -2.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4741   -4.0147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 12 22  2  0
  5 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27  3  1  0
 22  7  1  0
 21 15  1  0
M  END
$$$$
Mol_825
     RDKit          2D

 37 39  0  0  0  0  0  0  0  0999 V2000
   -0.4132    0.4026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6224    1.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5593    2.8117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9503    2.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1320    3.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5230    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7047    3.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4956    5.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6773    5.9455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1046    5.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8955    7.0685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9229    4.6594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0133    2.4495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1951    1.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5860    2.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7678    1.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4724    2.4876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1943    0.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5057   -0.7679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3093    1.7028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5586   -0.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1677   -0.8835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9585   -2.3689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9859    0.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5950   -0.5212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3858   -2.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5676   -2.9304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0051   -2.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2143   -4.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6052   -4.6150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8144   -6.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2053   -6.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3870   -5.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7780   -6.2996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1779   -4.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3596   -3.3289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7869   -3.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
  2 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 18 20  1  0
 16 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35 37  2  0
 12  5  1  0
 24 14  1  0
 37 30  1  0
M  END
$$$$
Mol_826
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -7.2439    1.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7816    0.4080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3147    0.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3100    1.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8431    0.8956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3808   -0.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138   -0.8445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4515   -2.2715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0154   -2.5846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0201   -1.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4871   -1.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -0.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9587   -0.9831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0294    0.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0340    1.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010    1.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5624    1.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1001    2.4971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5578   -0.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0908    0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3715    1.6964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3854   -1.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8524   -1.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  2  0
  6 22  1  0
 22 23  2  0
 23  3  1  0
 20  7  1  0
 19 10  1  0
M  END
$$$$
Mol_827
     RDKit          2D

 26 27  0  0  0  0  0  0  0  0999 V2000
    0.3978   -1.7031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8089   -0.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2638    0.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3075   -0.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7624   -0.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8061   -1.6847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2610   -1.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6721    0.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1269    0.4884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6283    1.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0395    2.6430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1735    0.8352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2348    0.8168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7334    1.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1882    1.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2320    2.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6868    1.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0979    0.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5528    0.0679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0542   -0.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4653   -2.0868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5994   -0.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1008   -0.9910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5556   -1.3563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
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 10 11  1  0
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 19 20  1  0
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 14 24  1  0
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 12  5  1  0
 23 16  1  0
M  END
$$$$
Mol_828
     RDKit          2D

 44 47  0  0  0  0  0  0  0  0999 V2000
    4.1950   -0.1018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7605    1.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2999    1.6755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 39 40  1  0
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 25  6  1  0
 38 31  1  0
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M  END
$$$$
Mol_829
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -6.5249    1.8681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0115    0.4587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5342    0.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5704    1.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0931    1.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4111   -1.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9847   -2.3601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 20 21  2  0
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 21  3  1  0
 18  7  1  0
 17 10  1  0
M  END
$$$$
Mol_830
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -4.1038    2.9225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621    1.4231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7426    0.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4515    0.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1321    1.5679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0903    3.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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M  END
$$$$
Mol_831
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -7.9975   -1.0169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6321   -0.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 24  9  1  0
M  END
$$$$
Mol_832
     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
    1.1181   -4.0234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 22 10  2  0
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M  END
$$$$
Mol_833
     RDKit          2D

 25 30  0  0  0  0  0  0  0  0999 V2000
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    2.2361   -1.7245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
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 19 20  2  0
 12 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
  8  3  1  0
 21  9  1  0
 10  5  1  0
 20 12  1  0
 13  6  1  0
 20 15  1  0
M  END
$$$$
Mol_834
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -1.4295    1.4164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0622    1.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6717   -0.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2106   -1.3248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7023   -1.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3117    0.2033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8035    0.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4129    1.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9046    1.8888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6857   -0.8524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1774   -0.6949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0762   -2.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5000   -4.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9918   -4.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6012   -5.7517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8740   -3.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2645   -1.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0456    0.9439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4362    2.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3184    3.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7090    4.8982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5912    6.1113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172    5.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3350    3.8426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1567    4.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9445    2.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
  3 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
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 22 23  2  0
 16 24  1  0
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 27 28  1  0
 27 29  2  0
 29 30  1  0
 30 31  1  0
 30 32  2  0
 32  2  1  0
 14  5  1  0
 23 17  1  0
 32 25  1  0
M  END
$$$$
Mol_835
     RDKit          2D

 41 45  0  0  0  0  0  0  0  0999 V2000
   -7.6169    2.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2184    1.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7668    1.0105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3684   -0.4357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9168   -0.8136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8636    0.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4120   -0.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0136   -1.5695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4380   -1.9475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8365   -3.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2881   -3.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6866   -5.2177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3412   -2.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7928   -3.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1913   -4.5275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8460   -2.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4475   -0.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5006    0.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9522    0.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0053    1.1912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6069    2.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6600    3.7054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1553    3.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1021    1.9471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9959   -0.1892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9428   -1.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4912   -0.8794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3589    0.9447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7574    2.3908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2957    3.4589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7473    3.0810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2090    2.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6075    4.2149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2621    1.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7137    2.0786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4215   -1.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0230   -2.9499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8731   -1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9262   -2.1940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2716    0.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7232    0.6982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 17 25  1  0
 25 26  1  0
 26 27  2  0
  7 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 29 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
  4 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 40  2  1  0
 34  6  1  0
 27  9  1  0
 26 13  1  0
 24 18  1  0
M  END
$$$$
Mol_836
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
  -10.9048   -0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5900    0.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3073   -0.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9925    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7098   -0.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3950    0.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1124   -0.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7976    0.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5149   -0.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7999    0.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0826   -0.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3974    0.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6801   -0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9949    0.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2776   -0.6142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5924    0.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6245    1.6075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8751   -0.6698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
M  END
$$$$
Mol_837
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
  -12.2170    0.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9049   -0.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6193    0.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3072   -0.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0217    0.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7096   -0.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4240    0.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1119   -0.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8263    0.4178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5142   -0.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7714    0.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0834   -0.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3690    0.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6811   -0.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667    0.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788   -0.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5644    0.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8764   -0.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9029   -1.6253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1620    0.6473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
M  END
$$$$
Mol_838
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -4.5553    0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2359   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6388   -0.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6388    0.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9583   -0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2359    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5553   -0.2480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
M  END
$$$$
Mol_839
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -5.8514    0.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5393   -0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2537    0.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9416   -0.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6560    0.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6560   -0.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9416    0.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2537   -0.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5393    0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8514   -0.2717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
M  END
$$$$
Mol_840
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -6.4952   -0.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    0.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952   -0.3409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
M  END
$$$$
Mol_841
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -6.4952   -0.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    0.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952   -0.3409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
M  END
$$$$
Mol_842
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -2.8764    1.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3291    2.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.8319    1.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8560   -0.8081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
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 17 18  2  0
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 23 24  1  0
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 27 28  1  0
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 29 30  1  0
 29 11  1  0
 29 14  1  0
 26 15  1  0
 24 18  1  0
M  END
$$$$
Mol_843
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
    5.1436    5.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9850    4.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3303    3.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1717    1.8091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5170    0.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3584   -0.7823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7037   -2.1319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2075   -2.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5528   -3.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0567   -3.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2153   -2.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2808   -2.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4598   -0.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.7973    0.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2934    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9481   -0.5106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1348    2.0807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6310    1.9730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
M  END
$$$$
Mol_844
     RDKit          2D

 33 34  0  0  0  0  0  0  0  0999 V2000
    5.8037    3.3384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3395    1.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3940    0.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9127    1.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9672   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860    0.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9503    1.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5405   -1.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9407   -0.8463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8862   -2.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3674   -1.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3130   -2.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9032   -0.3732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.8281    0.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7736   -0.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2548   -0.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2003   -1.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9297   -0.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9842   -1.7927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4109   -0.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3734   -1.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8376    0.0631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8207    1.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7662    2.8652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
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 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 32  2  1  0
 31 26  1  0
M  END
$$$$
Mol_845
     RDKit          2D

 29 30  0  0  0  0  0  0  0  0999 V2000
    5.8335   -2.3179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0456   -1.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8864    0.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5151    0.6652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3030   -0.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9317    0.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7724    1.8809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7196   -0.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3483    0.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8638   -0.7701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2351   -0.1623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3944    1.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8185   -0.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9778    1.0534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0306   -1.3217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4019   -0.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.9325    1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1445    0.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4169   -2.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
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 13 14  1  0
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 29  2  1  0
 23 17  1  0
M  END
$$$$
Mol_846
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
  -11.5495   -0.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2613    0.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9516   -0.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6635    0.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3256    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9234    0.5873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2330   -0.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2545   -1.6439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5212    0.6245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
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 17 18  2  0
 17 19  1  0
M  END
$$$$
Mol_847
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
  -12.2170   -0.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9049    0.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6193   -0.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1620   -0.6473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
M  END
$$$$
Mol_848
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -6.0727    1.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9777    0.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3182   -1.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5424    0.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4475   -0.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0121    0.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828   -0.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2576   -2.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5182   -0.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8586    1.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2940    1.5426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3889    0.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8242    0.9530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0484   -0.9435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6131   -1.3791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15  9  1  0
M  END
$$$$
Mol_849
     RDKit          2D

 37 41  0  0  0  0  0  0  0  0999 V2000
    5.5785    4.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1720    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0173    4.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9201    2.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5136    1.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2618    0.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4165   -0.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1646   -2.0098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7581   -2.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5063   -4.0098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6034   -1.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8031   -2.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0549   -3.5736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9578   -1.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7059    0.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2994    0.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8553   -0.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8606    1.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6088    2.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7635    3.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5116    5.2136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1700    3.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3247    4.1711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4218    1.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2671    0.7775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5190   -0.7012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3643   -1.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6161   -3.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0227   -3.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2745   -5.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1773   -2.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3193   -2.9673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7258   -2.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9776   -0.9673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7200    0.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3902   -1.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8230   -0.0098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 15 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 29 31  1  0
  8 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  1  0
 34 36  1  0
 34 37  1  0
 17  6  1  0
 25 18  1  0
 37  7  1  0
 17 11  2  0
 27 14  1  0
M  END
$$$$
Mol_850
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
    5.6286    0.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4356    1.2614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0517    0.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8607   -0.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4768   -1.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2838   -0.4742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4747    1.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8587    1.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0496    3.0799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1002   -1.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2931   -0.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1022    1.3443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2952    2.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6791    1.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8701    0.1873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6771   -0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2911   -2.5405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0981   -3.4498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2858   -2.8713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  6 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 10 17  2  0
 17 18  1  0
 18 19  1  0
  8  3  1  0
 16 11  1  0
 19  5  1  0
M  END
$$$$
Mol_851
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -3.5588    3.4261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5239    1.9265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2077    1.2070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1728   -0.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8567   -1.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4246   -0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7407   -0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7756   -2.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4944   -3.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5293   -4.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8455   -5.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8804   -6.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1267   -4.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0918   -3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0219   -0.1716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9870    1.3280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2682    2.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2333    3.6076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5145    4.3876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9172    4.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6359    3.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3198    4.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6709    2.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3896    1.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9265    1.9870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4540   -1.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4191   -2.5722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7702   -0.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0514   -1.1331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8051    1.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1213    1.8661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
  7 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
 23 24  1  0
 24 25  2  0
  4 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30  2  1  0
 24  6  1  0
 14  8  1  0
 23 16  1  0
M  END
$$$$
Mol_852
     RDKit          2D

 26 27  0  0  0  0  0  0  0  0999 V2000
    0.4841   -2.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4923   -1.3296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8026   -0.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1057   -1.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4006   -0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7037   -1.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9986   -0.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3018   -1.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5967   -0.5297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3924    0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0892    1.6846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0810    3.1846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7779    3.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7943    0.9275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5088    1.6703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8037    0.9132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7955   -0.5868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0904   -1.3439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0821   -2.8439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3770   -3.6010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3935   -0.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6884   -1.3582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4017    0.8989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7049    1.6418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1068    1.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1151    3.1560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  5 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 14  3  1  0
 25 16  1  0
M  END
$$$$
Mol_853
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -3.8971   -1.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    2.7857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    2.7857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -1.7143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -1.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -1.7143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14  2  1  0
 13  6  1  0
M  END
$$$$
Mol_854
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -5.6074   -0.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2653    0.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0141   -0.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6720    0.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9213    0.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1725   -0.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5146    0.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6055    1.5094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
M  END
$$$$
Mol_855
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_856
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.1617   -3.9603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  2  3  1  0
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  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
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 15  2  1  0
M  END
$$$$
Mol_857
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    4.3069    0.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1386   -0.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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 11  4  1  0
 15  9  1  0
M  END
$$$$
Mol_858
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -6.6044   -1.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 12  1  0
M  END
$$$$
Mol_859
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.2961   -2.8831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_860
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_861
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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 31 32  1  0
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 33  3  1  0
 18  6  2  0
 29 20  1  0
 15  8  1  0
M  END
$$$$
Mol_862
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
   -9.0880    1.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7524    0.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0317    1.1996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2908    2.0148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6264    1.3320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.9351   -1.5108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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M  END
$$$$
Mol_863
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.3393    5.0444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0862    3.5659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6471    3.1276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8879   -1.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4810   -1.8280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2279   -3.3065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5479    0.6907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
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  9 10  1  0
 10 11  1  0
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 29  7  1  0
 21  9  1  0
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M  END
$$$$
Mol_864
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.1691   -0.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9572   -1.6420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5858   -1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9453    1.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5286    0.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9976   -1.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6261   -1.9184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
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  4  7  1  0
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  8 10  1  0
 10 11  2  0
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M  END
$$$$
Mol_865
     RDKit          2D

 31 33  0  0  0  0  0  0  0  0999 V2000
   -8.7955    1.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6467    0.0729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0882   -0.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_866
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
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    5.1090    1.5740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
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  9 10  1  0
 10 11  2  0
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 24  6  1  0
 14  8  1  0
 23 17  1  0
 31 19  1  0
M  END
$$$$
Mol_867
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -4.6765   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1177    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1177    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
M  END
$$$$
Mol_868
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    3.7286    1.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3476    0.9955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1643   -0.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3619   -1.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7833   -1.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3739   -0.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8096    1.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
M  END
$$$$
Mol_869
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -7.6799    1.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0214    0.0899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5250   -0.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6871    1.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1907    1.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5322   -0.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0358   -0.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3773   -1.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1191   -1.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7776   -3.1237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9571   -0.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4535   -0.6354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1120   -1.9832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7878    0.5051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4463   -0.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6330    1.9564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4709    3.2005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1978    0.9195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3701   -1.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8665   -1.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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 11 12  2  0
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  6 22  1  0
 22 23  2  0
 23  3  1  0
 21  7  1  0
 20 11  1  0
M  END
$$$$
Mol_870
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
    9.0024   -0.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6449    0.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5189    2.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4135   -0.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0561    0.3135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8246   -0.5430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9507   -2.0377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4672    0.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2358   -0.7613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1217   -0.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3531   -0.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7106   -0.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8367    1.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4255    0.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9420   -1.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6821   -1.1416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6626   -0.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8860    1.2769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
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 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
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 16 18  1  0
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 17 12  1  0
 20 15  1  0
M  END
$$$$
Mol_871
     RDKit          2D

 36 39  0  0  0  0  0  0  0  0999 V2000
   -2.1886    4.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5501    3.6060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6854    2.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4594    1.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5948   -0.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3687   -1.1102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5041   -2.6040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2781   -3.4682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4135   -4.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8126   -5.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6772   -7.3202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1740   -5.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6708   -3.0730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.2729    2.3466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 31 32  1  0
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 18  6  2  0
 29 20  1  0
 15  8  1  0
M  END
$$$$
Mol_872
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -9.6585    2.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3241    1.2578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 32  3  1  0
 30  7  1  0
 29 11  1  0
 26 17  1  0
M  END
$$$$
Mol_873
     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
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  2  3  2  0
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 17  5  1  0
 16  8  1  0
 14  9  1  0
M  END
$$$$
Mol_874
     RDKit          2D

 23 27  0  0  0  0  0  0  0  0999 V2000
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   -2.9456   -3.1295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3897   -2.1067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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 17 22  1  0
 22 23  1  0
 22  3  1  0
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 20  7  1  0
 16  9  1  0
 23 15  1  0
M  END
$$$$
Mol_875
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    6.0727    1.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9777    0.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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  6  7  1  0
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 14 15  1  0
 15  9  1  0
M  END
$$$$
Mol_876
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.1000    0.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2684    2.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3697   -2.3962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 16  2  1  0
  9  6  1  0
M  END
$$$$
Mol_877
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    5.3263    1.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8331    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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M  END
$$$$
Mol_878
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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 16  2  1  0
M  END
$$$$
Mol_879
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.5928   -0.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 14  4  1  0
M  END
$$$$
Mol_880
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    3.1520   -2.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 16  2  1  0
M  END
$$$$
Mol_881
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    3.5448    0.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1356    0.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0256   -2.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  7  1  0
M  END
$$$$
Mol_882
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -6.2722    0.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8817    0.7340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6992   -0.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9072   -1.6744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3087    0.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1263   -0.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2642    0.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4722    1.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8627    2.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0452    1.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4357    1.7014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8372   -0.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0197   -1.2696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8117   -2.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4467   -0.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  2  0
 15  7  1  0
M  END
$$$$
Mol_883
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -3.1182    0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9843   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2678   -1.4730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5669    0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5669   -0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9843    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1182   -0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2678    1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
M  END
$$$$
Mol_884
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    5.0069    1.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5531    0.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1462   -0.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6924   -1.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6455   -0.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083   -0.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8551    0.6008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3089    0.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3558    1.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7158   -1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
M  END
$$$$
Mol_885
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -4.7993    1.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7331    0.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1138   -1.3469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2863    0.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2201   -0.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2267   -0.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6074    1.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4588    2.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    1.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1204    0.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5673    1.0278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7398   -0.8189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2929   -1.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9339   -2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0687   -2.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 13  6  1  0
M  END
$$$$
Mol_886
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -2.1413   -1.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6420   -1.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1484   -0.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6477   -0.6295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4382    0.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9374    0.5982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5604    0.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0596    0.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7684    2.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  3  7  1  0
  7  8  1  0
  8  9  1  0
M  END
$$$$
Mol_887
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -3.2624    0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9270   -0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6677    0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6677   -0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270    0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2624   -0.2097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
M  END
$$$$
Mol_888
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    4.1199    0.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0909   -0.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5216   -1.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6312   -0.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8516   -1.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5324   -1.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9920   -1.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7716   -2.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9699   -0.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0924    1.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3128    2.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8531    1.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7306    0.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5309    2.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5087    1.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15  4  1  0
M  END
$$$$
Mol_889
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -5.8948    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5889    0.8504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2969    0.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3108   -1.4116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9909    0.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6989    0.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7129   -1.4357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6070    0.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8990    0.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2050    0.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4970    0.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8030    0.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4831   -1.4840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
M  END
$$$$
Mol_890
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
    4.9515    1.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3741    0.3636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8864    0.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9762    1.3636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3091   -1.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8214   -1.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2441   -2.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0888   -0.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5765   -0.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4867    0.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9744    0.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8846    1.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5517   -0.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
M  END
$$$$
Mol_891
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -4.7965    0.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5767   -0.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2108    0.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9910   -0.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1372   -2.0921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3749    0.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5211    1.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6986    2.3865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8871    2.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1068    1.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9607   -0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5947   -0.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4423   -2.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5231   -1.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 12  6  1  0
M  END
$$$$
Mol_892
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
    3.1748    4.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498    3.4150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6245    3.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5995    2.5495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0998    1.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0748   -0.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5752   -1.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1005   -1.6935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6008   -3.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1261   -3.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1511   -2.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6764   -2.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2986   -1.3769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7733   -1.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7483   -0.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2230   -0.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1980    0.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6726    0.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1723   -1.3348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6477    1.2195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1223    0.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0973    2.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
M  END
$$$$
Mol_893
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.8112    0.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4985   -0.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2136    0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9009   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6159    0.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3033   -0.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0183    0.3718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7056   -0.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4207    0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1080   -0.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1770    0.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4896   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7746    0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6849   -0.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2825   -0.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3102   -1.6142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5675    0.6594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8802   -0.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  6  7  2  0
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 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
M  END
$$$$
Mol_894
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.8138   -0.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6824   -0.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7982   -1.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2243   -0.7201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5346    0.7475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4188    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9927    1.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1085    0.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3741   -0.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9275   -0.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4639   -0.0819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6449   -1.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0363   -0.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2173   -1.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2467    1.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6380    1.5993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  8 10  1  0
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 13 14  1  0
 13 15  1  0
 15 16  1  0
  7  2  1  0
  8  5  1  0
M  END
$$$$
Mol_895
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -4.6765   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3775    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0785   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0785   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7794    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1177    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1177   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
M  END
$$$$
Mol_896
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    1.9593   -2.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1493   -1.3093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9556   -0.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4279   -0.9803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0051   -0.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1987    0.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0087    1.7451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1456    1.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3527    1.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8152    2.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5291    1.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7227    0.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5328   -0.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  3 10  1  0
 10 11  1  0
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 10 13  1  0
 13 14  1  0
 14 15  1  0
 15  2  1  0
M  END
$$$$
Mol_897
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -7.1458   -0.4781    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6586   -0.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1714   -0.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5974    1.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1102    1.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1971    0.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2901    0.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2032   -0.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6904   -0.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6035   -1.6837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0907   -1.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6647   -0.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7516    1.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2644    0.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3513    2.0822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7711   -1.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583   -1.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
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  4  5  1  0
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  6  7  1  0
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 13 14  2  0
 14 15  1  0
  6 16  1  0
 16 17  2  0
 17  3  1  0
 14  9  1  0
M  END
$$$$
Mol_898
     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -8.6698    1.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8179   -0.0249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4611   -1.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3227    0.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6795    1.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1844    1.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3324    0.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8373    0.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9854   -0.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5098   -0.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3617   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8569   -1.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7088   -3.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0655   -4.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4223   -5.7160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2039   -2.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6991   -2.7649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5001   -0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6482    0.8185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2914    2.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7866    2.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4298    3.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5779    4.8837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0827    4.7632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4395    3.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1530    0.6980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9757   -1.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4708   -1.1390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
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  9 10  1  0
 10 11  2  0
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  7 27  1  0
 27 28  2  0
 28  4  1  0
 26 10  1  0
 25 20  1  0
M  END
$$$$
Mol_899
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.0907   -3.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5648   -3.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0616   -1.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5357   -1.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5130   -2.6169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0842   -0.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6101   -0.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3673    0.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -0.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6215   -1.3168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0811   -0.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3149   -1.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6706   -1.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2029    0.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.0259    2.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 22  6  1  0
 20  8  1  0
 17  9  2  0
 16 11  1  0
M  END
$$$$
Mol_900
     RDKit          2D

 32 34  0  0  0  0  0  0  0  0999 V2000
    4.3241   -3.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5259   -2.2702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7651   -1.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 16 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 27  3  1  0
 24  5  2  0
 14  8  1  0
M  END
$$$$
Mol_901
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.8343   -3.0379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3309   -1.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3030   -0.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7784   -0.7531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2817   -2.1662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7505    0.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2472    1.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2192    2.9447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7718    2.0729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7997    0.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3243    1.2012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6478    0.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6264    1.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0739    0.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0952   -0.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5919   -2.2260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1444   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1165   -2.4966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 12 21  1  0
 21 22  1  0
 21  2  1  0
 10  3  1  0
 19 13  1  0
M  END
$$$$
Mol_902
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
    2.3386    1.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3758    0.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8905   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3681   -1.5754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9278   -2.4669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1017    0.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3604   -1.1266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5793    0.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5420   -0.5407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0273   -1.9496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0196   -0.2820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1570    1.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5659    2.3432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9933    2.7912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  2  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  6 12  1  0
 12 13  2  0
 12 14  1  0
M  CHG  3   5  -1  11  -1  14  -1
M  END
$$$$
Mol_903
     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
   -8.4787   -0.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1973    0.5397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8813   -0.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5999    0.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2839   -0.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0025    0.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6865   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5948    0.7198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9109    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1922    0.7799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1575    2.2795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5082    0.0601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7896    0.8399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1056    0.1202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9455   -1.4995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6642   -2.2794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2616   -2.2193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
  9 15  1  0
 15 16  2  0
 15 17  1  0
M  CHG  2  15   1  17  -1
M  END
$$$$
Mol_904
     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -5.6590   -0.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4091    0.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4429    1.8219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5183    1.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0277    1.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4280    0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3189   -0.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7192   -2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2287   -2.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3710   -3.7260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6622   -1.1443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1528   -1.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7524   -2.6873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0436   -0.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5342   -0.2737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4250    0.9331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8254    2.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3348    2.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4439    1.2693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9534    1.4374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625    0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8094   -0.6399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
  7 22  1  0
 22  2  1  0
 21  6  1  0
 21 11  2  0
 19 14  1  0
M  END
$$$$
Mol_905
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.6385   -2.7504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2993   -1.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1357   -0.8524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2315   -1.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6665   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0057    0.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9099    1.0455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2491    2.5067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4749    0.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3791    1.6330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0559    1.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1517    2.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5867    1.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9259    0.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8301   -0.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1693   -2.1629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3951   -0.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17  2  1  0
  9  3  1  0
 17 11  1  0
M  END
$$$$
Mol_906
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -4.8786    1.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5693    0.2633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1435   -0.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8341   -1.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9506   -2.6722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -2.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2919   -1.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1339   -1.6006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2503   -0.5988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6761   -1.0648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9855   -2.5325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7925   -0.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4832    1.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0574    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9410    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5152    1.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2058    2.8027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6012    0.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0270    0.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3364    2.2669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 19  3  1  0
 18  7  1  0
 15  9  1  0
M  END
$$$$
Mol_907
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.8332    5.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0964    4.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5069    3.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9491    3.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2124    1.7398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3284   -0.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7389   -1.2137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8861   -0.2473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2966   -0.7577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5599   -2.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9704   -2.7448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4126   -3.2008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0021   -2.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8548   -3.6567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8189   -1.6696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2294   -1.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3766   -2.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7871   -1.6152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9344   -2.5815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0504   -0.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9031    0.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1664    2.3046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4926    0.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3454    1.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6086    2.7605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
  7 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 24 25  1  0
 25 26  2  0
 25  6  1  0
 14  8  1  0
 24 17  1  0
M  END
$$$$
Mol_908
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.8262   -3.1310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3026   -1.7253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1765   -1.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -0.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1791    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7026    1.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1817    1.8344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1373    0.6782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6164    0.9277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1347   -0.9769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21  2  1  0
 11  5  1  0
 21 14  1  0
M  END
$$$$
Mol_909
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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   -2.8764    1.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  4  5  1  0
  5  6  1  0
  6  7  1  0
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 25 26  1  0
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  3 28  1  0
 28 29  1  0
 28 30  1  0
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 26 11  1  0
 23 12  1  0
 21 15  1  0
M  END
$$$$
Mol_910
     RDKit          2D

 31 33  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
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 30 11  1  0
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 29 22  1  0
M  END
$$$$
Mol_911
     RDKit          2D

 41 45  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_912
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_913
     RDKit          2D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_914
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -5.7435   -1.1507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_915
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
    2.1694   -0.9308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_916
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.5057   -2.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2022   -1.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  5  1  0
M  END
$$$$
Mol_917
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0
M  END
$$$$
Mol_918
     RDKit          2D

 41 45  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_919
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_920
     RDKit          2D

 24 29  0  0  0  0  0  0  0  0999 V2000
   -6.4978    0.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 22  6  1  0
 16  7  1  0
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M  END
$$$$
Mol_921
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_922
     RDKit          2D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_923
     RDKit          2D

 40 41  0  0  0  0  0  0  0  0999 V2000
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   10.9632    1.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9895    2.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
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 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
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 28 29  1  0
 28 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 38 40  1  0
  9  2  1  0
 38 32  1  0
M  END
$$$$
Mol_924
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -5.0057    1.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9034    0.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3690   -0.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6990   -2.0226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0632   -0.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3932    1.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7091    2.3672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8254    1.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9276    0.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3598    1.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8532   -2.4639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0279   -2.0397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 13  6  1  0
M  END
$$$$
Mol_925
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6484   -1.8788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2729   -0.4266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8275   -0.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6879   -0.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7578   -1.7270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2032   -1.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3824   -3.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0633    0.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5087    1.1775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8841    2.6297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0067    1.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4521    1.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5221    2.4779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  2  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  2  0
 13 14  1  0
 13  3  1  0
M  END
$$$$
Mol_926
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
  7  2  1  0
 12  4  1  0
M  END
$$$$
Mol_927
     RDKit          2D

 31 32  0  0  0  0  0  0  0  0999 V2000
    0.8573   -5.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9776   -3.5252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3326   -2.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4529   -1.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2182   -0.5349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3385    0.9603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1037    1.8120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2513    1.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4860    2.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3657    3.5156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6004    4.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8410    1.3770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9613   -0.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3163   -0.7616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5510    0.0902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9060   -0.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8468   -2.4651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6121   -3.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6935    1.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8138    3.0988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5790    3.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9282    0.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2832    1.3953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4035    2.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8079   -0.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0426   -1.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3976   -0.9516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
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 13 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
  6 23  1  0
 23 24  1  0
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 26 27  1  0
 27 28  1  0
 26 29  1  0
 29 30  1  0
 30 31  1  0
 29  4  1  0
 20  8  1  0
M  END
$$$$
Mol_928
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -6.2529   -1.1948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0933   -0.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3376    1.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6895   -0.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5299    0.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1261   -0.3486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0335    0.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2108    2.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4373    0.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1096    1.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5926    1.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8369   -0.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2832    0.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3835   -1.6865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5048   -0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0585   -1.3769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 12 15  1  0
 15 16  1  0
 15  9  1  0
 16  9  1  0
M  END
$$$$
Mol_929
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.6274   -1.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3683   -0.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5182    0.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9592    0.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7001    1.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2910    2.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8589    1.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1181    2.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2680    1.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4179    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1588   -0.7889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7497   -1.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6015   -2.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5009   -2.6016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5998   -0.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8093   -0.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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 10 11  1  0
 11 12  1  0
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 15 16  1  0
 16  4  1  0
 15  7  1  0
M  END
$$$$
Mol_930
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.9492   -1.2092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5709   -0.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3692   -1.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0091   -0.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1857    0.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0160    1.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3943    0.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4746   -0.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3865   -2.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5170    2.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4718    3.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  1  0
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  9 10  1  0
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 13 14  1  0
 14 15  1  0
  7  2  1  0
 14  5  1  0
M  END
$$$$
Mol_931
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -4.7833    0.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5939   -0.2809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7907   -1.7679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2077    0.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0183   -0.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3679   -0.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5648    1.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6246    2.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9510    2.0114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1404    1.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9436   -0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1330   -1.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5573   -0.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3605   -2.4497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 13  6  1  0
M  END
$$$$
Mol_932
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -3.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  8 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
  7  2  1  0
 14  5  1  0
M  END
$$$$
Mol_933
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.5305    1.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6580   -0.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2784   -1.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1651    0.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5446    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483    1.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8208    0.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3137    0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1862   -0.7785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003   -1.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2926   -1.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  7 10  2  0
 10 11  1  0
 11  4  1  0
M  END
$$$$
Mol_934
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -4.9631    1.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1211    0.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4919   -0.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7047    0.4858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9082   -0.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5374   -0.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3246   -0.9439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0462   -0.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2590   -1.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6298   -0.6084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7878    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1585    1.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3714    0.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7422    1.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2135   -0.8819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8427   -1.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  2  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
M  END
$$$$
Mol_935
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -4.6370    0.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3626   -0.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4106   -1.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0402    0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7659   -0.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5565    0.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8309   -0.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9799    0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2990   -0.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8313    0.9261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3632    1.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3628    0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1362    0.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8304   -1.3092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2985   -1.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
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 14 15  1  0
 14  7  1  0
 15  9  1  0
M  END
$$$$
Mol_936
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -3.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 10 14  1  0
 14 15  1  0
 15  2  1  0
 14  5  1  0
M  END
$$$$
Mol_937
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -3.4623   -1.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2082   -0.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5467    1.7372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0138    1.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4211    1.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5743    0.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3202   -0.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9129   -1.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6587   -2.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7597   -0.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5056   -1.6596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6476   -0.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
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  9 10  1  0
 10 11  1  0
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 11 13  1  0
 13 14  1  0
 13 15  1  0
 15  4  1  0
 13  7  1  0
M  END
$$$$
Mol_938
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.5424   -3.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9298   -1.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8686   -0.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5801   -0.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6413    0.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0900   -0.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7010   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4790    1.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5387   -0.6303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2539    1.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1948    1.9858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2560    0.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6434    2.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7047    1.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7659    0.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3785   -1.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  5 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16  2  1  0
 12  3  1  0
M  END
$$$$
Mol_939
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -1.0069   -2.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5467   -0.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8312   -1.5819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5326    0.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0465    1.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5746    2.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4113    0.9004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0431    2.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9111    0.8766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3520   -0.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7711   -1.0432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1247   -1.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0747   -0.5187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13  2  1  0
 13  7  1  0
M  END
$$$$
Mol_940
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    1.5153   -3.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1034   -1.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1778   -1.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1807    0.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6172    1.7191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7660    0.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7906    1.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3541    3.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2516    1.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
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  8 10  1  0
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 11 12  1  0
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 13 14  2  0
 13 15  1  0
 12  3  1  0
M  END
$$$$
Mol_941
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
    8.8269   -2.3398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3474   -3.1157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9151   -0.5805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4356   -1.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5239    0.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5081   -0.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5397    1.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6279    3.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_942
     RDKit          2D

 23 28  0  0  0  0  0  0  0  0999 V2000
   -6.2738    1.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20  3  1  0
 18  5  1  0
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 17  8  1  0
 22  8  1  0
 14  9  1  0
M  END
$$$$
Mol_943
     RDKit          2D

 40 44  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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M  END
$$$$
Mol_944
     RDKit          2D

 43 48  0  0  0  0  0  0  0  0999 V2000
    4.4616    6.5908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6330    5.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5995    2.7169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3947    1.8234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5661    0.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9423   -0.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  2  0
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M  END
$$$$
Mol_945
     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 16  7  1  0
M  END
$$$$
Mol_946
     RDKit          2D

 36 39  0  0  0  0  0  0  0  0999 V2000
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 25  5  1  0
 19 10  1  0
M  END
$$$$
Mol_947
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
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 15 16  1  0
 16 12  1  0
M  END
$$$$
Mol_948
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -7.1642    2.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 22 12  1  0
 20 15  1  0
M  END
$$$$
Mol_949
     RDKit          2D

 49 52  0  0  0  0  0  0  0  0999 V2000
    2.3062    0.7286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 12  5  1  0
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 49 42  1  0
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M  END
$$$$
Mol_950
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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 14  3  1  0
M  END
$$$$
Mol_951
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_952
     RDKit          2D

 41 45  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_953
     RDKit          2D

 40 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_954
     RDKit          2D

 41 44  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_955
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_956
     RDKit          2D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_957
     RDKit          2D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_958
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
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 12  2  1  0
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 13 10  1  0
M  END
$$$$
Mol_959
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_960
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_961
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_962
     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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 10  3  1  0
 21 12  1  0
M  END
$$$$
Mol_963
     RDKit          2D

 37 39  0  0  0  0  0  0  0  0999 V2000
    2.3681   -0.7359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9143   -0.3668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
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 36 37  1  0
 12  5  1  0
 36 14  1  0
 35 28  1  0
M  END
$$$$
Mol_964
     RDKit          2D

 26 27  0  0  0  0  0  0  0  0999 V2000
   -4.4235   -4.3714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8705   -2.9396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.5426    3.3647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6253    0.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8133   -0.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
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  5  7  1  0
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  8 10  1  0
 10 11  1  0
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 23 24  1  0
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 12 26  1  0
 26  5  1  0
 25 18  1  0
M  END
$$$$
Mol_965
     RDKit          2D

 44 47  0  0  0  0  0  0  0  0999 V2000
    6.9800   -2.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1852   -1.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.1404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2062    1.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0219    2.2661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6535    4.1074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1254    2.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5148    2.4117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
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 37  6  1  0
 23 16  1  0
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M  END
$$$$
Mol_966
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    4.1578   -1.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  2  0
  3  4  1  0
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 10 11  1  0
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 13 14  2  0
 14 15  1  0
 15  2  1  0
M  END
$$$$
Mol_967
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    0.2793   -2.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  2  3  1  0
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  4  5  1  0
  5  6  2  0
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  2 10  1  0
 10 11  1  0
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 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 10  1  0
M  END
$$$$
Mol_968
     RDKit          2D

 30 31  0  0  0  0  0  0  0  0999 V2000
    0.9928    0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4144    1.3439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
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 29 30  1  0
  9  2  1  0
 30  8  1  0
M  END
$$$$
Mol_969
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.9756    2.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3104    1.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3941    1.4907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
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 10 11  1  0
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 13 14  1  0
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 15 16  1  0
  8  2  1  0
  7  3  1  0
M  END
$$$$
Mol_970
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    1.5153   -3.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1034   -1.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2024   -0.7347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1778   -1.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1807    0.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2516    1.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
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  8  9  2  0
  8 10  1  0
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 11 12  1  0
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 13 14  2  0
 13 15  1  0
 12  3  1  0
M  END
$$$$
Mol_971
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -6.0300   -3.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0313   -3.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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M  END
$$$$
Mol_972
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -3.4328   -1.7533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2193   -0.8715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8489   -1.4815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3645   -0.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7349   -1.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7466    1.2302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
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  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
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 10 11  1  0
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 12  2  1  0
 10  4  1  0
M  END
$$$$
Mol_973
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -2.2837    0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1803   -0.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5086   -1.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2514    0.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5797    1.7367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3548   -0.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7865   -0.2956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
M  END
$$$$
Mol_974
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    3.7536    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0401    1.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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  4  5  1  0
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 14 15  1  0
 15  4  1  0
M  END
$$$$
Mol_975
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
   -0.2815   -1.5186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  2  3  1  0
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  4  5  1  0
  5  6  2  0
  6  7  1  0
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 12  5  1  0
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M  END
$$$$
Mol_976
     RDKit          2D

 26 27  0  0  0  0  0  0  0  0999 V2000
    7.4255   -2.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1026    1.7871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
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  5 23  2  0
 23 24  1  0
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 25 26  1  0
 25  3  1  0
 21 11  1  0
M  END
$$$$
Mol_977
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
    4.9407    5.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    4.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9988    2.9054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6153   -2.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
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 10 11  1  0
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 13 14  1  0
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 18 19  2  0
 18 20  1  0
M  END
$$$$
Mol_978
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
    2.6959    2.7209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8532    1.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3571    1.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4856    0.3486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1677   -1.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7508   -1.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1940   -1.6061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9021    0.8936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5657   -1.5117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
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  6  8  1  0
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 26  2  1  0
 33 29  1  0
 24  5  1  0
 19 10  1  0
M  END
$$$$
Mol_979
     RDKit          2D

 48 51  0  0  0  0  0  0  0  0999 V2000
    2.0600   -7.5743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3974   -6.8950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2207   -4.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3011   -3.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1244   -0.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4617   -0.0851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5421    1.4127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8794    2.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1364    1.2736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4738    1.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6504   -0.3634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5541    3.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8915    4.1301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7028    4.4084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 47  3  1  0
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 33 24  1  0
 44 36  1  0
M  END
$$$$
Mol_980
     RDKit          2D

 27 28  0  0  0  0  0  0  0  0999 V2000
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   -4.8096   -1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.0167    1.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2844    1.8438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
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 10  2  1  0
 26 17  1  0
M  END
$$$$
Mol_981
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.2467   -1.6672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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 10 11  2  0
  2 12  1  0
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 23 24  1  0
 11  5  1  0
 23 13  1  0
M  END
$$$$
Mol_982
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
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    5.8000    2.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1944    3.1223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3981   -0.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
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 16 17  2  0
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 26 28  2  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 31  5  1  0
 13  7  1  0
 31 14  2  0
 28 16  1  0
M  END
$$$$
Mol_983
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -3.6526   -4.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  2  0
  2  4  1  0
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  6  7  1  0
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 11 12  1  0
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 31 32  2  0
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 33 34  1  0
 33  4  1  0
 33  7  1  0
 21  9  1  0
 32 27  1  0
 19 13  1  0
M  END
$$$$
Mol_984
     RDKit          2D

 27 28  0  0  0  0  0  0  0  0999 V2000
  -10.8706    0.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6341   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2804    0.2587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.1611   -2.0859    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6903    0.0558    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9830    1.3482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9608    1.7915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5100   -0.3501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 27  8  1  0
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M  END
$$$$
Mol_985
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.1061    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 24  1  0
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 18  6  1  0
 22  7  1  0
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M  END
$$$$
Mol_986
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
  2  3  1  0
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 21 23  2  0
 23  4  1  0
 19 10  1  0
M  END
$$$$
Mol_987
     RDKit          2D

 44 48  0  0  0  0  0  0  0  0999 V2000
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M  CHG  1  28   1
M  END
$$$$
Mol_988
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
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 14 15  1  0
 15  9  1  0
M  END
$$$$
Mol_989
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
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 12  5  1  0
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M  END
$$$$
Mol_990
     RDKit          2D

 36 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_991
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_992
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_993
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_994
     RDKit          2D

 46 51  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_995
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_996
     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_997
     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 16 17  2  0
 17 18  1  0
 18 19  2  0
 12  4  1  0
 19 14  1  0
M  END
$$$$
Mol_998
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -5.2984    1.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8055    1.1798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9330   -0.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4401    0.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5677   -1.1151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9253   -0.9696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7977   -2.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1772   -3.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2906   -2.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1631   -3.2645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9111   -0.6787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0387    0.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6592    1.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7867    3.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2938    2.9819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6733    1.6162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5457    0.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172    1.7844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1180    3.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1867    3.9940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1882   -2.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6811   -2.6262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5535   -1.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0465   -1.5514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
  5 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23  3  1  0
 17 12  1  0
 20 15  1  0
M  END
$$$$
Mol_999
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -3.6040   -1.5896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2154   -1.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0298   -1.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    0.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1982    1.3828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6240    1.0314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4211    2.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5617    0.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9502    0.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1359   -0.2388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244    0.3286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9330   -1.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
M  END
$$$$
Mol_1000
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
    6.3322   -2.5257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9532   -1.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7526   -2.8347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7748   -0.4462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3958    0.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1951   -0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3735   -2.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8161   -0.1650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6377    1.3244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7413    1.9146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9419    1.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3209    1.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5215    0.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3431   -0.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5438   -1.6821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9228   -1.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3018   -0.5018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9641   -1.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7635   -0.4740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8384    2.2235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6600    3.7129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2174    1.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4180    2.5325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  3  0
 14 18  1  0
 18 19  2  0
  9 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  5  1  0
 19 11  1  0
M  END
$$$$
Mol_1001
     RDKit          2D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -3.8699   -3.0263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3996   -1.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9309   -1.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4605    0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4588    1.2468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9275    0.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3979   -0.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8666   -0.7872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7026    2.5422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2369    2.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9808    3.0991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3482    2.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4978    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2801    0.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0873    0.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4297   -1.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7971   -1.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0149   -1.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4587   -0.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6659   -2.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8652    0.3733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
  7  2  1  0
 15 10  1  0
 15  4  1  0
 21 13  1  0
M  END
$$$$
Mol_1002
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
   -6.7560   -3.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2856   -2.9929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8070   -1.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7989   -0.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2693   -0.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3204    0.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8500    1.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3714    2.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3633    3.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9010    2.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9091    1.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5613    2.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0399    3.5827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5103    3.8791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5532    1.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0236    1.3323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0155    0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5370   -1.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5289   -2.3398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9993   -2.0434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9912   -3.1686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4779   -0.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9483   -0.3254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4860    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9645    1.9251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0747   -0.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3957   -0.6821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8743   -2.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1176   -3.2290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3447   -2.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3366   -1.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8581    0.1467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3876    0.4431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
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 20 21  1  0
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 22 23  1  0
 22 24  1  0
 24 25  1  0
 15 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 31  3  1  0
 32  7  1  0
 33 11  2  0
 24 17  1  0
 33 27  1  0
M  END
$$$$
Mol_1003
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -5.5468    1.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3487   -0.3343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9620   -0.9062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7734    0.0088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3867   -0.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1981    0.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1886   -0.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3867   -1.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7734   -2.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9715   -3.7655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9620   -1.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3487   -1.9356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5373   -1.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7639    0.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3772    0.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1791    2.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7924    2.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5943    4.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7829    5.1556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3962    1.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7829    2.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9810    3.8975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1886   -2.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3772   -2.9649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7639   -2.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9525   -3.3080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
  5 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25  3  1  0
 20  6  1  0
 15  7  1  0
M  END
$$$$
Mol_1004
     RDKit          2D

 36 40  0  0  0  0  0  0  0  0999 V2000
    0.8763    5.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0380    4.7522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6960    3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1940    3.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1422    2.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5158    0.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3225   -0.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1178    0.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8078   -0.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1325    0.0629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3418    1.5482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2111   -0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6884   -0.7197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7670   -1.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0917   -1.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0918   -2.6371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6703   -0.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -0.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5373   -1.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8044   -2.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0707   -2.5110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8838   -3.2408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5215   -4.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0050    0.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3469    1.8482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8505    1.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3617    3.3704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0122    0.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3541    2.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 12 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 25 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 33 35  1  0
 35 36  1  0
 35  6  1  0
 21  7  1  0
 35 24  1  0
 19  9  1  0
 17 13  2  0
M  END
$$$$
Mol_1005
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -0.6964    2.1767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1635    0.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6315    0.4431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6324    1.5603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1004    1.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1013    2.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5693    2.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0364    0.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5044    0.3275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0355   -0.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5675   -0.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1626   -0.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3053   -0.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8391   -2.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3712   -2.9086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9050   -5.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4379   -6.8767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8400   -3.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7742   -0.8668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7093    0.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1764    2.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6444    2.6004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2404    1.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724    1.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7715    2.4849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
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  8 10  1  0
 10 11  2  0
  2 12  1  0
 12 13  1  0
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 14 15  1  0
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 14 22  1  0
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 27 28  1  0
 28 29  1  0
 28 30  2  0
 30 31  1  0
 31 32  2  0
 11  5  1  0
 31 13  1  0
 21 15  1  0
 30 23  1  0
M  END
$$$$
Mol_1006
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
    5.6668   -3.9061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3525   -3.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3215   -1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6048   -0.9067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0073   -0.9603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7240   -1.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4098   -1.0140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3788    0.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9354    1.2087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2187    0.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5330    1.1551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8162    0.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1305    1.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1614    2.6011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7853   -1.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0685   -1.8979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4710   -1.8443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4401   -3.3440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1877   -1.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8735   -1.7906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621    1.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9763    0.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0701    1.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4318    2.9233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1548    4.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9436    2.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9171    3.8295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
  8 21  1  0
 21 22  1  0
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 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 22  5  1  0
 19 10  1  0
 26 21  1  0
M  END
$$$$
Mol_1007
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.1340    0.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4549    2.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9512    2.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6682    1.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5591   -0.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5926   -1.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9872   -0.9532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1529   -1.0166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2523   -2.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2130   -1.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2721   -0.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0547   -2.1127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7003   -0.3743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5889    0.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0627    2.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8606    2.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16  2  1  0
 14 11  1  0
M  END
$$$$
Mol_1008
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.8275    2.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0452    1.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3739    0.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0395   -0.9325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9668   -1.9810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6382   -1.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8897    0.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9725    0.0594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0419    1.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2947   -0.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6234   -0.0469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8906   -0.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2193   -0.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4865   -0.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2807    1.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
  8  2  1  0
  7  3  1  0
M  END
$$$$
Mol_1009
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -3.2201   -2.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7954   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6003   -0.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7340    0.9277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1502    2.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6556    2.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3266    3.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3158    0.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0907    0.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5602   -1.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7390   -2.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7544   -2.6216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5592   -0.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8346   -0.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1154    1.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
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  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  1  0
 13 14  1  0
 13 15  1  0
 12  2  1  0
  8  3  1  0
 13  9  1  0
M  END
$$$$
Mol_1010
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.5889    3.6487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6934    2.6338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3667    1.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9355    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6088   -0.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1491   -2.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5803   -3.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9070   -4.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8025   -5.5843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6848   -2.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3581   -0.6264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4626    0.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1359    1.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2404    2.8674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  1  0
 22 23  2  0
 23 24  1  0
 23  3  1  0
 20  6  1  0
 20 12  1  0
M  END
$$$$
Mol_1011
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    1.1344   -3.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9355   -2.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2378   -0.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6666   -0.3245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0512   -1.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3368   -1.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5233   -2.0476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5382    0.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9262    0.9252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1277    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1128    0.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3517    1.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0363    0.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2228    1.6231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0214    3.1095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6108    1.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
  8 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 13  3  1  0
M  END
$$$$
Mol_1012
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    3.0676   -3.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -1.7785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9986   -0.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6314   -1.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5866   -0.6449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9538   -1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1718   -0.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5390   -1.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7570   -0.1284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    0.8477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9296    1.4649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0787    2.9574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1393    3.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1477    0.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5148    1.2066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  5 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  2  0
 14 15  1  0
 14  3  1  0
M  ISO  1   8  13
M  END
$$$$
Mol_1013
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
   11.7157   -0.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3740    0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2838    2.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1223   -0.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7806    0.4370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5290   -0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6191   -1.8870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1872    0.2809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9356   -0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5938    0.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3422   -0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0004   -0.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2512   -0.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5929   -0.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8446   -1.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1863   -0.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2765    1.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6182    1.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8698    0.9977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7797   -0.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4380   -1.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1759   -1.0480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1289    0.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3217    1.3747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 21 16  1  0
 24 19  1  0
M  END
$$$$
Mol_1014
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.3392    3.9294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4976    2.9765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2515    1.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8470    0.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6009   -0.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1964   -1.0363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0498   -2.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1086   -3.4689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -3.0426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7004   -4.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5420   -5.4753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6126   -2.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3665   -0.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5249    0.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2788    1.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4371    2.7757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8416    2.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8743    2.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6281    3.8290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7159    1.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9620   -0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7592   -1.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1637   -0.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4098    0.5438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8143    1.0705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
  9 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
  5 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 24  3  1  0
 21  6  1  0
 21 13  1  0
M  END
$$$$
Mol_1015
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -2.2881    1.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9252    0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4106    0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5157    0.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0462    2.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5316    2.3631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4551    1.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8933   -0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8409   -1.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3605   -0.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4079   -0.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4602   -1.9175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9493   -2.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8728   -1.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0340   -0.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14  2  1  0
 11  4  1  0
 15 11  1  0
M  END
$$$$
Mol_1016
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.0412   -2.3620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6758   -0.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3997   -0.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0789   -0.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1973   -1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5180   -0.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7942   -1.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1150   -0.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1596    1.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4804    1.8269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7565    1.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7119   -0.4607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3911   -1.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1241   -0.9665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0414    0.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1962    1.4595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2727   -0.0743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5935   -0.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8697    0.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8251    1.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5043    2.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2281    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
  2 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 14  9  1  0
 23 18  1  0
 17 12  1  0
M  END
$$$$
Mol_1017
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -5.3389   -1.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6001    0.0517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1001    0.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3390   -1.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8391   -1.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1742   -2.3211    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5392   -1.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9147   -2.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1206   -1.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9510    0.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5755    0.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4059    2.1735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6118    3.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3696   -0.2089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1002    0.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8614    1.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3613    1.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1224    2.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17  3  1  0
 15  5  2  0
 14  7  1  0
M  END
$$$$
Mol_1018
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -4.9345    1.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7967    0.9948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3813    1.4915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1038    2.9656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6884    3.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4494    2.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9372    2.6765    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5791    1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0161    0.8906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3621   -0.5689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7991   -0.9990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2711   -1.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6171   -3.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8341   -1.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4881    0.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1719    1.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2435    0.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5210   -0.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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 17  3  1  0
 16  6  1  0
 15  8  1  0
M  END
$$$$
Mol_1019
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -4.6482   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1945    0.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5650   -0.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  9 10  1  0
 10 11  1  0
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 13 15  1  0
 10  5  1  0
 13  7  1  0
M  END
$$$$
Mol_1020
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -2.9523    1.7647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1854    0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0812   -0.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4616   -1.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8143    0.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0475    1.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6856    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  8  9  1  0
  9 10  1  0
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 12 13  1  0
 13 14  1  0
  6 15  1  0
 14  2  1  0
 15  2  1  0
 12  6  1  0
M  END
$$$$
Mol_1021
     RDKit          2D

 42 47  0  0  0  0  0  0  0  0999 V2000
   -7.2917   -3.2105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0113   -2.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0478   -0.9296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7674   -0.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9112    0.8255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4505   -0.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4140   -2.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6944   -3.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0971   -3.0840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21  6  1  0
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M  END
$$$$
Mol_1022
     RDKit          2D

 41 48  0  0  0  0  0  0  0  0999 V2000
    9.3172    0.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8457    0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3615   -1.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8899   -1.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7539   -2.8123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8548   -4.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4350   -3.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4568   -2.0290    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9025   -0.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4309   -0.7476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4435    0.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8582    1.2533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 40  9  1  0
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M  END
$$$$
Mol_1023
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
    4.5033    0.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0778    1.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2693   -1.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 15  9  1  0
 16  9  1  0
M  END
$$$$
Mol_1024
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.5280    0.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4673   -0.5389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3460   -2.6602    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 10  3  1  0
M  END
$$$$
Mol_1025
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -3.2455    3.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1026
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1027
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1028
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1029
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1030
     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1031
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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   -3.6080   -0.2299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5924    1.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2919    2.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875    1.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  8 10  1  0
 10 11  1  0
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 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 10 21  1  0
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 21  5  1  0
 15  8  1  0
 20 15  1  0
M  END
$$$$
Mol_1032
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -2.7476   -1.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3023   -0.9674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4647    2.5403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  8  9  1  0
  9 10  1  0
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 12 13  1  0
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 14  2  1  0
  7  3  1  0
 14  6  1  0
M  END
$$$$
Mol_1033
     RDKit          2D

 31 32  0  0  0  0  0  0  0  0999 V2000
    5.1643   -2.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4791   -0.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2921    0.3395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5527   -0.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1051    1.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0316    1.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6972    0.4673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6234   -1.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4366    1.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4562    2.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8549   -0.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1796   -2.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7614   -1.2974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
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 11 12  2  0
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 30 31  1  0
 19  9  1  0
 31 11  1  0
M  END
$$$$
Mol_1034
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.0639    1.6527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4114    1.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9146   -0.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0577   -1.1735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5330   -0.9027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0361    0.5104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5115    0.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0146    2.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4900    2.4652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.9591   -0.0902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8805    3.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3836    2.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
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 14 15  1  0
  3 16  2  0
 16 17  1  0
 17 18  2  0
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 16 23  1  0
 23 24  1  0
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 29  2  1  0
 14  5  1  0
 22 17  1  0
 29 24  1  0
M  END
$$$$
Mol_1035
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -4.7033    4.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4022    2.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9790    2.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.9474    2.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4988   -1.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6209   -2.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0757   -2.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1492   -0.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
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 10 11  1  0
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 23 17  1  0
M  END
$$$$
Mol_1036
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -6.4645   -2.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0063   -2.4371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5145   -1.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2963    3.3496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
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 17 18  2  0
 18 19  1  0
 11 20  1  0
 20 21  1  0
 21 22  2  0
  9  3  1  0
 18 12  1  0
 21  7  1  0
M  END
$$$$
Mol_1037
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -6.1356   -0.9785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7404   -1.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5658   -0.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8326    3.3040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3532    1.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2627    3.6862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 22 23  2  0
  9  3  1  0
 19 14  1  0
 22  7  1  0
M  END
$$$$
Mol_1038
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -7.1639   -1.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7637   -2.0182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5976   -1.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3337    3.2378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5348   -0.2635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0329    2.5673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6312   -1.2071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0314   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1974   -1.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  5  7  2  0
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 20 21  1  0
 11 22  1  0
 22 23  1  0
 23 24  2  0
 24  3  1  0
 23  7  1  0
 19 12  1  0
M  END
$$$$
Mol_1039
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    5.6467    1.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6926    0.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2180   -0.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2591   -0.2580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3509   -2.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6539   -0.9204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6407   -2.4204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1287   -1.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1532    0.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
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 13 14  1  0
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 15 16  1  0
 16  9  1  0
M  END
$$$$
Mol_1040
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.7500    3.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  1  0
  9 10  2  0
 10 11  1  0
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 11 13  2  0
 13 14  1  0
 14 15  2  0
 15  2  1  0
 15  9  1  0
M  END
$$$$
Mol_1041
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -7.6683   -3.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3520   -2.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1799    0.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8636    1.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4356    1.9408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5260    0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 25 17  1  0
 27 25  1  0
M  END
$$$$
Mol_1042
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
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  5  8  1  0
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  7  2  1  0
 12  4  1  0
M  END
$$$$
Mol_1043
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -3.0209   -1.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9115   -0.4840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5670   -1.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491   -1.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8388    1.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0901    2.9901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8195   -1.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
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  4  5  1  0
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 10 14  1  0
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 12  2  1  0
 10  3  1  0
 14  5  1  0
M  END
$$$$
Mol_1044
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -6.4645   -2.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0063   -2.4371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 22  3  1  0
 21  7  1  0
 18 12  1  0
M  END
$$$$
Mol_1045
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
    8.1459   -1.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2782   -0.0676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1046
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1047
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    1.5153   -3.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1048
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1049
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1050
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1051
     RDKit          2D

 23 27  0  0  0  0  0  0  0  0999 V2000
   -6.2013   -1.8194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2023   -1.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0580    1.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8221    0.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
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 10 11  1  0
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 13 14  1  0
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 17 18  2  0
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 19 20  2  0
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 20 22  1  0
 22 23  2  0
  8  3  1  0
 23 14  1  0
 12  5  1  0
 23 17  1  0
 15  6  1  0
M  END
$$$$
Mol_1052
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -4.7705    1.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7018    0.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9885   -0.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3541   -1.5487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
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 13 14  1  0
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  9 20  1  0
 20  3  1  0
 13  7  1  0
 17 12  1  0
M  END
$$$$
Mol_1053
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    5.8242   -0.9530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3889   -0.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2940   -1.5426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0484    0.9435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
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  5 14  1  0
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 15  2  1  0
M  END
$$$$
Mol_1054
     RDKit          2D

 36 40  0  0  0  0  0  0  0  0999 V2000
   -5.2564   -3.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4631   -1.6264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5723    2.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2617   -3.0062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
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  6 10  1  0
 10 11  1  0
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 29 18  1  0
M  END
$$$$
Mol_1055
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -7.3961    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8444    1.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3251   -0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5952   -3.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1036   -1.9565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0
  5  6  1  0
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 10 11  1  0
 11 12  1  0
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 13 14  2  0
 13 15  1  0
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M  END
$$$$
Mol_1056
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -7.2343    3.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 15  1  0
M  END
$$$$
Mol_1057
     RDKit          2D

 41 45  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1058
     RDKit          2D

 40 44  0  0  0  0  0  0  0  0999 V2000
   -7.4175    4.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1059
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
    3.7159   -3.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 17  8  1  0
M  END
$$$$
Mol_1060
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    6.3740    1.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1061
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1062
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -7.1946   -1.7706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3156    1.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0602    1.8153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8118    3.0106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  2  3  1  0
  2  4  1  0
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 22 23  2  0
 23  6  1  0
 20 11  1  0
M  END
$$$$
Mol_1063
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -9.0444    0.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9086   -0.8573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4922   -0.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2116    1.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7952    1.6038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3092    0.6319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1645   -1.8214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3564   -1.3432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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 21  3  1  0
 19 14  1  0
M  END
$$$$
Mol_1064
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.6328   -3.9679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7642   -2.9830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4769   -1.5108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0583   -1.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7710    0.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3524    0.9362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1243    0.0749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0269   -1.0132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 20  6  1  0
 14  9  1  0
 17 12  1  0
M  END
$$$$
Mol_1065
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.0092    3.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2655    2.4988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1544   -2.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4720   -1.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5609   -2.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1973   -0.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8418    1.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7528    2.3044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9947    0.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 12  2  1  0
 13  4  1  0
M  END
$$$$
Mol_1066
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -5.1878   -0.3325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7354    0.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3338    1.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6846   -1.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2202   -0.2786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6219    1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8712    1.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5050    2.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1251    0.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5775    0.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8923   -2.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0343   -2.1980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 14  6  1  0
M  END
$$$$
Mol_1067
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -6.1677    2.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8168    0.8532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3784    0.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8524    1.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25  5  1  0
 21 15  1  0
M  END
$$$$
Mol_1068
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -2.5041    3.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4750    2.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25  6  1  0
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M  END
$$$$
Mol_1069
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1070
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    6.0727    1.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1071
     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1072
     RDKit          2D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1073
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1074
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  3  4  2  0
  4  5  1  0
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 25  3  1  0
 21  7  1  0
 20 11  1  0
M  END
$$$$
Mol_1075
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.6829   -2.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16  4  1  0
 15  7  1  0
M  END
$$$$
Mol_1076
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
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    0.0037    2.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1077
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
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    0.8876    0.5749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0
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 13  2  1  0
 13  8  1  0
M  END
$$$$
Mol_1078
     RDKit          2D

 26 27  0  0  0  0  0  0  0  0999 V2000
   -3.3501   -2.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3800    2.8952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  2  1  0
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M  END
$$$$
Mol_1079
     RDKit          2D

 40 43  0  0  0  0  0  0  0  0999 V2000
    1.8443    1.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1080
     RDKit          2D

 41 45  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1081
     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1082
     RDKit          2D

 27 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1083
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1084
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1085
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1086
     RDKit          2D

 47 49  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1087
     RDKit          2D

 40 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1088
     RDKit          2D

 41 44  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_1089
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1090
     RDKit          2D

 44 49  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1091
     RDKit          2D

 45 50  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1092
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1093
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1094
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 11  5  1  0
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M  END
$$$$
Mol_1095
     RDKit          2D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1096
     RDKit          2D

 39 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1097
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1098
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1099
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1100
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1101
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1102
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
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 16  2  1  0
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M  END
$$$$
Mol_1103
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 17 11  1  0
M  END
$$$$
Mol_1104
     RDKit          2D

 27 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1105
     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -8.9550   -0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1106
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    3.5216   -1.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9699   -0.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1107
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.3266   -3.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8346    0.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1108
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1109
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1110
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
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    2.2679    0.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
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 13 14  1  0
 14 15  1  0
 15  2  1  0
 13  4  1  0
 13  8  1  0
M  END
$$$$
Mol_1111
     RDKit          2D

 36 39  0  0  0  0  0  0  0  0999 V2000
   -4.5984   -6.5133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1645   -5.0774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7041   -4.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6775   -5.8289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2702   -3.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9687    1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5614    3.5379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3759   -1.5212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1238   -1.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9801   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4748   -0.3844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3311    0.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6928    2.2045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4642   -0.6361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8153    0.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4528   -5.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8098   -2.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
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 13 14  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
  8 21  1  0
 21 22  1  0
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 19 10  1  0
 36 21  1  0
 32 27  1  0
M  END
$$$$
Mol_1112
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -3.4956   -0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1207    0.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9525    1.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5776    2.1742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610   -0.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1402    0.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4561   -1.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6963   -2.6228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7685   -2.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9139   -0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3107    0.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4789    1.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8107    0.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 11  2  1  0
 11  6  1  0
 13  8  1  0
M  END
$$$$
Mol_1113
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
   -8.8207   -3.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3275   -3.4492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7041   -2.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5739   -0.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9505    0.5015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4573    0.6438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8339    2.0081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7038    3.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1387   -2.7377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1078   -0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3855   -0.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2553   -1.2311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6184   -2.3108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9815   -3.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3581   -4.7549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2283   -0.6619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4886    1.7822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5021    1.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0089    1.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1390    2.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7624    3.9416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2556    4.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3542    2.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2241    3.6570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9776    1.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    0.9284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2108   -1.9426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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M  END
$$$$
Mol_1114
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -2.0793   -3.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0539   -1.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5954   -0.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0612   -0.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2110    1.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8379    1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5191    3.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8394    0.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6449    0.9390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7397   -0.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1386    0.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3069   -0.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3690    1.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6206   -1.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3774   -2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
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 10 14  1  0
 14 15  1  0
 15  2  1  0
  8  3  1  0
M  END
$$$$
Mol_1115
     RDKit          2D

 35 38  0  0  0  0  0  0  0  0999 V2000
   -4.6580   -6.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2085   -5.1836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7444   -4.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7298   -5.9621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2948   -3.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8308   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
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M  END
$$$$
Mol_1116
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
    3.9496   -0.0523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6672    0.7258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3521    0.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3195   -1.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0044   -2.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2101    2.2561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0697    0.7824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
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  9 10  2  0
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 11 12  1  0
 12  3  1  0
 12  8  2  0
M  END
$$$$
Mol_1117
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.2331   -0.6233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7455   -0.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0268    0.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6694    2.2410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7155   -1.5213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
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  5  7  1  0
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  7  9  1  0
  9 10  1  0
  7 11  1  0
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M  END
$$$$
Mol_1118
     RDKit          2D

 46 51  0  0  0  0  0  0  0  0999 V2000
   -0.9724   -5.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0352    0.5187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3103    1.3088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2636    2.8081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8833    1.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6965   -4.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  2  4  1  0
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 42 28  1  0
 39 29  1  0
M  END
$$$$
Mol_1119
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -4.1578   -1.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7651   -0.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8382   -2.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0369   -2.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0724   -1.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5572   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3567    0.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7996    1.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5780    2.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0690    4.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9203    2.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2195    1.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9073    0.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
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 14 15  1  0
 15  2  1  0
M  END
$$$$
Mol_1120
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.6483   -0.4941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2935   -1.1381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0585   -0.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1782    1.2084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5329    1.8523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7680    1.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1227    1.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2424    3.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5971    3.7842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0073    3.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1270    5.4867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6526    3.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1739   -2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
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 23 15  1  0
 32 25  1  0
M  END
$$$$
Mol_1121
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
    5.7443    0.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3404   -0.3947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1809    0.5568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7770    0.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8289    2.5652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  4  5  1  0
  5  6  1  0
  6  7  1  0
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 20  6  1  0
 13  7  2  0
M  END
$$$$
Mol_1122
     RDKit          2D

 37 41  0  0  0  0  0  0  0  0999 V2000
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 31 32  1  0
  9 33  1  0
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 36  5  1  0
 14  7  1  0
 31 17  1  0
 31 12  1  0
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M  END
$$$$
Mol_1123
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.3480   -2.2952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5488    1.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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 23 24  1  0
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 16 11  1  0
 25 20  1  0
 19 14  1  0
M  END
$$$$
Mol_1124
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.7845   -2.1547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7268   -0.6558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3888   -0.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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M  END
$$$$
Mol_1125
     RDKit          2D

 26 27  0  0  0  0  0  0  0  0999 V2000
   -1.3545   -3.7616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6861    3.2120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  2  0
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 14  9  1  0
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M  CHG  1   4  -1
M  END
$$$$
Mol_1126
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
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 41 42  1  0
 41  2  1  0
 36  6  1  0
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 33 27  1  0
M  END
$$$$
Mol_1127
     RDKit          2D

 39 45  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1128
     RDKit          2D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1129
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0
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M  END
$$$$
Mol_1130
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1131
     RDKit          2D

 41 48  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1132
     RDKit          2D

 39 42  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1133
     RDKit          2D

 39 42  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1134
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
    3.2978   -0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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 13  6  1  0
M  END
$$$$
Mol_1135
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -1.1630   -1.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7247   -0.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3641    2.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4347   -1.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 15 10  1  0
 15  4  1  0
M  END
$$$$
Mol_1136
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1137
     RDKit          2D

 31 33  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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 10 11  1  0
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 31  3  1  0
 27  9  1  0
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M  END
$$$$
Mol_1138
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 21 12  1  0
 25  7  1  0
M  END
$$$$
Mol_1139
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
  -10.0330   -0.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8845   -1.2847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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  4  5  1  0
  5  6  1  0
  5  7  2  0
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 10 11  1  0
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 32  3  1  0
 31  7  1  0
 28 11  1  0
 25 16  1  0
M  END
$$$$
Mol_1140
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -4.4938    3.7819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6537    2.2904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0331   -2.7379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 14  3  1  0
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 11  5  2  0
 32  7  1  0
M  END
$$$$
Mol_1141
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
   -9.1396   -2.3178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6396   -2.3293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8797   -1.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.8599    1.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3600    1.5506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1199    0.2344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3798   -1.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1398   -2.3864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1200    0.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1142
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.5286    4.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23  3  1  0
 12  5  1  0
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M  END
$$$$
Mol_1143
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1144
     RDKit          2D

 41 48  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_1145
     RDKit          2D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1146
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1147
     RDKit          2D

 30 34  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
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M  END
$$$$
Mol_1148
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
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   -2.4100    2.1696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1149
     RDKit          2D

 28 29  0  0  0  0  0  0  0  0999 V2000
  -11.7388   -0.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.7325    1.4122    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0580    3.0658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3599   -1.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
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  6  7  2  0
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 28  9  1  0
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M  END
$$$$
Mol_1150
     RDKit          2D

 47 52  0  0  0  0  0  0  0  0999 V2000
   -1.5957   -6.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2155    0.4410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2859    2.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1151
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1152
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 12  6  1  0
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M  END
$$$$
Mol_1153
     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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   -1.9111   -1.6363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
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  7  8  1  0
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 10 11  1  0
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 15 17  2  0
 13  4  1  0
M  END
$$$$
Mol_1154
     RDKit          2D

 40 41  0  0  0  0  0  0  0  0999 V2000
    9.2968   -1.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7019   -0.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9498    0.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7925    1.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3874    1.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8250    1.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5772    0.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8592   -1.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0
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 39 40  1  0
 40  2  1  0
 32 26  1  0
M  END
$$$$
Mol_1155
     RDKit          2D

 38 44  0  0  0  0  0  0  0  0999 V2000
   10.4158   -0.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3746    0.5398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9189    0.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5043   -1.2635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5455   -2.3434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0486   -1.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6340   -3.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0074   -0.5454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4220    0.8961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3809    1.9759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9252    1.6142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8840    2.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4283    2.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0137    0.8907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0274    1.9706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0549   -0.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6403   -1.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8155   -1.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2924    2.6994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
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  9 10  1  0
 10 11  1  0
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 34 35  1  0
 16 36  1  0
  9 37  1  0
 37 38  1  0
 37  3  1  0
 36 11  1  0
 35 14  1  0
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 35 19  1  0
 31 21  1  0
M  END
$$$$
Mol_1156
     RDKit          2D

 29 31  0  0  0  0  0  0  0  0999 V2000
    5.2481   -4.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9658   -3.5118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9986   -2.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3138   -1.2908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7163   -1.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4012   -1.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1189   -1.1771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1517    0.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1306    1.1008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    0.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7281    1.1577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3227    2.6934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
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 13 14  1  0
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 22  5  1  0
 19 10  1  0
 27 21  1  0
M  END
$$$$
Mol_1157
     RDKit          2D

 43 47  0  0  0  0  0  0  0  0999 V2000
   -5.8057    2.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1665    0.8631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8444   -3.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6774   -3.9234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0424   -1.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3989   -1.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4794   -2.0519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7597    0.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.6883    1.4880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  4  5  1  0
  5  6  1  0
  6  7  2  0
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 36 37  2  0
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 38 39  1  0
 38 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
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 37  6  1  0
 36 10  1  0
 24 15  1  0
 34 27  1  0
M  END
$$$$
Mol_1158
     RDKit          2D

 34 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1159
     RDKit          2D

 49 54  0  0  0  0  0  0  0  0999 V2000
   -3.2617    1.1228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1160
     RDKit          2D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1161
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1162
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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 14  2  1  0
 10  4  1  0
M  END
$$$$
Mol_1163
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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   -0.2541   -1.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
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  8 10  1  0
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 33  5  1  0
 15  7  1  0
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 26 20  1  0
 32 28  2  0
M  END
$$$$
Mol_1164
     RDKit          2D

 37 42  0  0  0  0  0  0  0  0999 V2000
   -8.0764    0.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5821    0.8283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9482    2.1878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7218   -0.4004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2275   -0.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5935    1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0992    1.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3256    3.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8199    3.6779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2868   -2.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0882    1.5078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2604   -0.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1632    1.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2609   -0.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
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  4  5  1  0
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  6  7  1  0
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  8  9  1  0
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 18  5  1  0
 37 22  1  0
 37 12  1  0
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 33 24  1  0
 32 28  2  0
M  END
$$$$
Mol_1165
     RDKit          2D

 36 40  0  0  0  0  0  0  0  0999 V2000
   -3.5933    3.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0944    3.7403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2957    2.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9960    1.1441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2032    2.5274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0019    1.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3016   -0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6254    1.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1527   -0.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5452    0.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9124    1.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5059   -1.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0026   -0.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9633   -2.0820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3558   -1.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2556   -0.0276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8012    0.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1396   -2.4904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5992   -1.2816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3979   -2.5513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1987   -3.9347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2995    0.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7984    0.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2264   -0.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5941   -1.3843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4986    1.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000    2.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2010    2.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4024    3.9108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5008    1.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7021    2.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
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 12 18  1  0
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 35  6  1  0
 21  7  1  0
 35 27  1  0
 19  9  1  0
 17 13  2  0
M  END
$$$$
Mol_1166
     RDKit          2D

 42 43  0  0  0  0  0  0  0  0999 V2000
   10.2652   -2.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6038   -1.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6870    0.1556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4316    0.9765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0930    0.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375    1.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9207    2.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4989    0.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2434    1.2647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9048    0.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6494    1.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7326    2.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3107    0.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2275   -0.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1267    2.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0521    1.9262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2811    0.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1979   -1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4534   -2.3071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8593   -2.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
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 29 30  1  0
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 36 37  1  0
 36 38  1  0
 36 39  1  0
 39 40  1  0
 40 41  1  0
 40 42  1  0
 42  2  1  0
 33 26  1  0
M  END
$$$$
Mol_1167
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    2.1377   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5863   -2.1728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5710   -1.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1071   -1.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9082   -0.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3721   -0.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8207   -2.0503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3874    0.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8513    0.1580    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4597    1.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    1.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4528    2.8982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    4.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0195    0.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4834    0.6899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  5 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  2  0
 14 15  1  0
 14  3  1  0
M  END
$$$$
Mol_1168
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
  -12.0861   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7768    0.4492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4883   -0.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1790    0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8905   -0.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5812    0.3773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2926   -0.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    0.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6948   -0.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9030   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2123    0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5008   -0.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.2335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0987   -0.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4080    0.1975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6965   -0.5704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0058    0.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2943   -0.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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 10 11  1  0
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 15 16  1  0
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 16 18  1  0
 18 19  1  0
 19 20  1  0
M  END
$$$$
Mol_1169
     RDKit          2D

 40 41  0  0  0  0  0  0  0  0999 V2000
  -13.4122   -1.2701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3809   -0.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9219   -0.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.0354   -2.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.4317    0.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5451   -1.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5138   -0.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0235    0.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5646   -0.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9257    0.6470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9570    1.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4159    1.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4472    2.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8436   -0.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7301   -1.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1891   -2.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167   -3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2204   -1.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6793   -1.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7107   -0.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1696   -0.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5972   -2.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2009    0.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7733    1.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3143    2.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2830    1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9414    0.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3894    2.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8906    0.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9970   -0.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.3183    1.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7772    2.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8085    1.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
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 22 23  1  0
 22 24  1  0
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 25 26  1  0
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 27 28  1  0
 27 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 32 34  1  0
  3 35  1  0
 35 36  1  0
 35 37  1  0
 35 38  1  0
 38 39  1  0
 39 40  1  0
 40  2  1  0
 32 26  1  0
M  END
$$$$
Mol_1170
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -2.9245   -2.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8372   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3621   -1.3848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3527   -0.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8397    0.1308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4128    1.5170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7537   -1.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2407   -0.8618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6806    1.0213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    2.4964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0340    0.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3528    1.0894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  4  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 11  2  1  0
M  END
$$$$
Mol_1171
     RDKit          2D

 39 45  0  0  0  0  0  0  0  0999 V2000
   -9.5701   -0.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0911    0.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1348   -0.9247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6559   -0.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6996   -1.8300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2206   -1.5797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2643   -2.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7854   -2.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1709   -3.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -3.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1726   -1.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2163   -0.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7389    0.5774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2179    0.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1742   -0.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8409    1.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6729   -0.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6044    0.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2009    2.2299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4501    3.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5127    4.5588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2787   -3.1868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2627   -1.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2600    0.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6963    1.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2190    0.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6980   -0.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6542    0.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1332    0.7316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6105    2.1376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0895    1.8872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5668    3.2932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5685    1.6369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5248    2.7925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  8  9  1  0
  9 10  1  0
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 17 24  1  0
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 38  2  1  0
 34  4  1  0
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 28  8  1  0
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 26 15  1  0
 23 18  1  0
M  END
$$$$
Mol_1172
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.8072    0.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4901    1.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2099    0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2019   -0.3975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6624    2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8207    2.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7564    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2090   -0.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2742   -0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8216   -1.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3048   -2.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1141   -3.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6921    0.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1704   -1.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0092    0.7214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
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 13 14  1  0
 13 15  1  0
  9  3  1  0
 13  7  1  0
M  END
$$$$
Mol_1173
     RDKit          2D

 26 31  0  0  0  0  0  0  0  0999 V2000
   -1.9109   -4.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1260   -2.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5192   -2.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9479   -1.7399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1630   -0.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4904    0.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6334   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1402   -1.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2698    0.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2234   -0.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1162   -1.3196    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5385   -0.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8444   -1.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1364   -0.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1225    0.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8166    1.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4710    2.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0222    2.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0085    2.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7493    0.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3721    1.8222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
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 25 26  1  0
 18  5  1  0
 20  6  1  0
 24  7  1  0
 21  9  1  0
 18 10  1  0
 17 12  1  0
M  END
$$$$
Mol_1174
     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
    0.2731   -3.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  1  0
 12  2  1  0
M  END
$$$$
Mol_1175
     RDKit          2D

 36 39  0  0  0  0  0  0  0  0999 V2000
   -4.7319    2.7070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  ISO  7   1   2   3   2   4   2   6   2  34   2  35   2  36   2
M  END
$$$$
Mol_1176
     RDKit          2D

 47 54  0  0  0  0  0  0  0  0999 V2000
    4.6552   -4.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1177
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1178
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
    3.5138   -0.4358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  9  1  0
M  END
$$$$
Mol_1179
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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 33 34  1  0
 11  4  1  0
 31 12  1  0
 34  4  1  0
 29 16  1  0
 26 17  1  0
M  END
$$$$
Mol_1180
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -1.2067   -1.1199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
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  5  8  1  0
  8  9  2  0
  8 10  1  0
  5 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
M  CHG  2   8   1  10  -1
M  ISO  4   1   2   3   2  12   2  13   2
M  END
$$$$
Mol_1181
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
    3.5495    0.2148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0181    0.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.0059   -0.6528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
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M  ISO  2   1   2   3   2
M  END
$$$$
Mol_1182
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.7058   -2.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6095   -1.3140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6723   -0.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8243    1.5131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1688    0.8480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4170    1.6798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7615    1.0148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 20 21  1  0
 19  3  1  0
 17  5  2  0
 14  7  1  0
M  END
$$$$
Mol_1183
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
    3.6769   -2.4349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2466   -2.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9228   -4.3514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2223    0.9704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0008   -0.9703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3575    0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4354    3.9845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
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 17 10  1  0
M  END
$$$$
Mol_1184
     RDKit          2D

 40 44  0  0  0  0  0  0  0  0999 V2000
   -9.3057   -2.8442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  2  0
  4  5  1  0
  5  6  2  0
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M  END
$$$$
Mol_1185
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -5.8739   -0.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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M  END
$$$$
Mol_1186
     RDKit          2D

 23 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1187
     RDKit          2D

 28 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1188
     RDKit          2D

 45 50  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1189
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1190
     RDKit          2D

 40 43  0  0  0  0  0  0  0  0999 V2000
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 18  3  1  0
 28 19  1  0
 40 34  1  0
 17  7  1  0
M  END
$$$$
Mol_1191
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -4.6359   -1.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2956   -2.0694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0422   -1.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1291    0.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8757    1.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9626    2.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3029    3.2471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4646    0.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7180    1.2266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6311    2.7241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0583    0.5531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1452   -0.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4855   -1.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8918   -1.7684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5515   -1.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7019   -1.9189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16  3  1  0
 15  8  1  0
M  END
$$$$
Mol_1192
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.0716    1.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0740    0.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5452   -1.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6051    0.6628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6074   -0.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0786   -1.8814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8615   -0.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3327    1.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8016    1.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7992    0.4545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3280   -0.9696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8591   -1.2735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12  7  1  0
M  END
$$$$
Mol_1193
     RDKit          2D

 28 32  0  0  0  0  0  0  0  0999 V2000
   -6.3904   -2.9005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0245   -2.2805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8785   -0.7877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0983    0.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9523    1.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5864    2.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3665    1.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5126   -0.1677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2927   -1.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4388   -2.5335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9269   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7808    1.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5851    1.6921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8049    0.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6589   -0.6736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2930   -1.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8787   -1.5466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7327   -3.0394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2446   -0.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4645   -1.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8303   -1.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9764    0.3133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7565    1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3907    0.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1708    1.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3169    2.9321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0006    1.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8546    3.4380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 12 27  1  0
 27 28  2  0
  8  3  1  0
 16 11  1  0
 24 19  1  0
 27  7  1  0
 25 14  1  0
M  END
$$$$
Mol_1194
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    2.2818    2.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4833    1.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8043    0.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4552   -0.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3711   -2.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0502   -1.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3179    0.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3992    0.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4815    1.2469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1233   -0.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1977   -0.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4736   -0.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7946   -0.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8396    1.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0706   -0.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3915   -0.1735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
  8  2  1  0
  7  3  1  0
M  END
$$$$
Mol_1195
     RDKit          2D

 40 45  0  0  0  0  0  0  0  0999 V2000
   -3.0921   -4.9751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9475   -3.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1682   -2.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0236   -1.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2443   -0.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0996    1.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3203    2.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6856    1.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9063    2.3697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8302    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6095   -0.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583   -0.4960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4376   -1.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5822   -2.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3615   -3.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5061   -5.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0038   -3.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1484   -1.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137   -0.9970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0723   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0723    0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1484    1.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5137    0.9970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0038    3.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3615    3.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5061    5.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5822    2.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9475    3.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0921    4.9751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1682    2.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0236    1.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2443    0.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0996   -1.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3203   -2.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6856   -1.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9063   -2.3697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8302   -0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6095    0.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6583    0.4960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4376    1.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
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 10 11  2  0
  4 12  1  0
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 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
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 31 39  1  0
 39 40  1  0
 14  2  1  0
 40 21  1  0
 11  5  1  0
 20 13  1  0
 40 27  2  0
 38 32  1  0
M  END
$$$$
Mol_1196
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.4825   -2.4900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5952   -1.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9145   -1.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3831   -0.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5468    0.5219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1793    1.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1705    0.0282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3117    1.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9155    2.6751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1990    0.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6901    0.2562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10  2  1  0
  7  3  1  0
M  ISO  6   2  13   3  13   4  13   6  13   8  13  10  13
M  END
$$$$
Mol_1197
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
   10.8891    2.0279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3897    1.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6776    0.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1782    0.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4661   -0.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -0.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2546   -2.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7552   -2.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9680   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4686   -0.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3186    0.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8180    0.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0295   -1.0026    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -3.9862   -2.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0729    0.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5289   -1.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3161    0.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8155    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6027    1.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3900    2.7412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
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 12 14  1  0
 14 15  1  0
 15 16  1  0
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 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  3  0
M  END
$$$$
Mol_1198
     RDKit          2D

 25 25  0  0  0  0  0  0  0  0999 V2000
    6.1512   -1.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9927   -2.1507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5883   -1.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4298   -2.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0254   -2.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1332   -3.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1127   -4.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5376   -2.4755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7835   -0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6249   -0.0430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1879   -0.4689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3464   -1.4217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7508   -0.8948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9967    0.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8382    1.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4338    1.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2752    1.9636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5211    3.4433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    1.4367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2877    2.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921    1.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8506    2.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2550    2.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4136    3.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5009    0.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 16 11  1  0
M  END
$$$$
Mol_1199
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
   -8.6361    1.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4881    2.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0780    1.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8158    0.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4057   -0.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1436   -1.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2916   -2.6076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7335   -2.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3184   -3.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8192   -3.6456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3078   -2.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724   -3.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0823   -1.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2654   -2.5942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6555   -2.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8626   -0.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2528    0.0184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4598    1.5041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500    2.0675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0330    1.1454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4232    1.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8260   -0.3403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2768    2.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8866    1.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6796    0.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4965    1.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2894   -0.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1064    0.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2838    0.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4909   -1.3133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7638   -0.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9300    2.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1921    4.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5199    2.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 18 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
  3 32  1  0
 32 33  1  0
 32 34  1  0
 30  8  1  0
 30 11  1  0
 27 13  1  0
 25 16  1  0
M  END
$$$$
Mol_1200
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -3.1971    1.4607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7231    0.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2536   -0.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8052   -1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2123    1.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1069    1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3848    1.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7040    1.8785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3435   -0.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8273   -0.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8175   -1.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0243   -1.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0170   -2.5483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
 12 13  2  0
 12  3  1  0
M  END
$$$$
Mol_1201
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15  2  1  0
 13  4  1  0
M  END
$$$$
Mol_1202
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.3260   -2.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1970   -1.6672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6901   -1.8110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5611   -0.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9391    0.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4460    0.9189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1846    2.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5537    2.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8688    1.6487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8556    0.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0614   -0.7435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4370   -0.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6428   -1.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6069    1.3449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5749   -0.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 10 15  1  0
 15  2  1  0
 15  6  1  0
M  END
$$$$
Mol_1203
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -3.6581   -1.7603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2919   -0.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3685    0.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8491    0.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4829    1.5592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0401    1.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0366    0.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4028    2.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4794    1.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5561    0.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1899   -1.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7470   -1.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3809   -3.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6704   -0.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7724   -0.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15  4  1  0
 14  7  1  0
M  END
$$$$
Mol_1204
     RDKit          2D

 14 16  0  0  0  0  0  0  0  0999 V2000
    1.2379   -2.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6563   -1.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0676   -0.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0203    0.5267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5799    0.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355    2.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2617    2.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5595    2.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7808    0.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7588   -0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7368   -0.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2207   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1435   -2.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7093   -0.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 11  2  1  0
 11  5  1  0
 12  9  1  0
M  END
$$$$
Mol_1205
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -4.1749   -1.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7222   -1.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3196    0.3868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8669    0.7606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1832   -0.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2195   -1.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6721   -2.1293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6358    0.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6859   -1.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1386   -0.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2833   -2.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0385    1.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9884    2.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4643    2.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5143    3.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  8 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
  7  2  1  0
 14  4  1  0
M  END
$$$$
Mol_1206
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -5.5548    0.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0611    0.9382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4331    2.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1954   -0.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7017   -0.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8361   -1.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6989   -2.8683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5261   -2.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5914   -3.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3812   -0.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8760   -0.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
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  8  6  1  0
 16 10  1  0
M  END
$$$$
Mol_1207
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.4210   -2.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1243   -2.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1771   -2.8081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4040    0.6728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3968   -0.4387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7041   -1.9069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  6 10  1  0
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 21 22  1  0
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 23 24  1  0
 24 25  2  0
 16  2  1  0
 24 20  1  0
 14  5  1  0
M  END
$$$$
Mol_1208
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -3.3075   -2.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7413   -2.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0708    0.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7356    1.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0600   -2.5761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4722   -2.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4133    0.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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  4  6  1  0
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 30 10  1  0
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 27 15  1  0
 25 18  1  0
 27 25  1  0
M  END
$$$$
Mol_1209
     RDKit          2D

 40 45  0  0  0  0  0  0  0  0999 V2000
   -2.5341    4.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2283    3.4320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2149    1.9321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0641    1.6803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0909    1.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1044   -0.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4101   -1.0444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5535    0.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8325   -0.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7032    0.6533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2268    2.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1339    0.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3394    1.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3259    2.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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  3  5  1  0
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 10 11  1  0
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 38  6  1  0
 21  7  1  0
 40 22  1  0
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 40 25  1  0
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M  END
$$$$
Mol_1210
     RDKit          2D

 41 46  0  0  0  0  0  0  0  0999 V2000
   -9.1894    0.3132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6102    1.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1223    1.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5431    3.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2136    0.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7257    0.8839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8170   -0.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  5  1  0
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M  END
$$$$
Mol_1211
     RDKit          2D

 29 31  0  0  0  0  0  0  0  0999 V2000
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   -3.7216    1.1097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0408    0.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3187    1.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2774    2.6806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0820   -1.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4012   -1.8177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8041   -1.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8454   -3.3886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4849   -1.1752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2070   -1.9606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4726    0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8247    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8521    3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3547    4.9800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3202    2.5405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1057    3.8184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8924    1.1539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3505    0.8018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7505    0.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
  8 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 22 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29  5  1  0
 19 10  1  0
 29 21  1  0
M  END
$$$$
Mol_1212
     RDKit          2D

 42 43  0  0  0  0  0  0  0  0999 V2000
   -9.5103   -1.9402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9091   -1.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0775   -2.3391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4763   -1.7974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6448   -2.7380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7066   -0.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5381    0.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6673    1.6128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7618    1.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1394    0.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9709    1.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5721    0.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4036    1.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6339    2.9053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0048    0.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8363    1.8220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4375    1.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2690    2.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4993    3.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8703    1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6400    0.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7588   -0.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9891   -1.8269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3879   -2.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6182   -3.8508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5564   -1.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9552   -1.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1237   -1.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5224   -1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7527   -3.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6909   -0.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0897   -1.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2582   -0.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6570   -0.7730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8873   -2.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8255    0.1675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5952    1.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7637    2.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1964    2.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0279    1.2509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6082    0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3046    2.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 40 41  1  0
 40 42  1  0
 10  2  1  0
 40 33  1  0
M  END
$$$$
Mol_1213
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
    3.0900   -1.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8212   -0.7579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1581   -2.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7495    0.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9158    1.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5083    2.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4200    1.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9188    1.0663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7189   -0.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0201   -1.5298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2178   -0.1441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4137   -0.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8332   -1.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4722    1.2597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  7 12  1  0
 12 13  1  0
 12 14  1  0
 12  2  1  0
 14  5  1  0
M  END
$$$$
Mol_1214
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
   -2.8309    4.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1171    3.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0918    2.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3780    1.6742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3527    0.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6389   -0.5974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0412   -0.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0159   -2.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3021   -2.8252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7044   -2.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4182   -2.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1067   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0813   -4.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2302   -4.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5164   -4.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4910   -2.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1795   -1.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -0.4659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4404    0.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7519   -0.4221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0381    0.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3496   -0.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3750   -1.8780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0128    1.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2990    2.6214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7013    2.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6760    4.0773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4151    1.8057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1036    2.5337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4435   -0.5097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7550    0.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7803    1.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4941    2.4899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1826    1.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
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 26 27  1  0
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 11 30  1  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  1  0
 32  3  1  0
 31  7  1  0
 17 12  1  0
 28 19  1  0
M  END
$$$$
Mol_1215
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -6.8975   -3.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1852   -1.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9723   -0.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2599    0.8697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7606    0.9128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5476    2.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0483    2.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5489    2.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7618    0.9992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9747   -0.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4741   -0.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6870   -1.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1877   -1.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5246   -0.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0240   -0.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3117   -1.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8111   -1.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3105   -1.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0228   -0.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5222   -0.0619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3092   -1.3388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8086   -1.2957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5969   -2.6589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2357    1.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9328    2.6409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6299    1.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7363    1.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9493    2.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4499    2.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2624    1.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0495    2.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9735   -0.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6858   -1.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8987   -2.9611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
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 20 21  1  0
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 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 11 32  1  0
 32 33  1  0
 33 34  1  0
 33  2  1  0
 32  5  1  0
 30  9  1  0
 30 14  1  0
 27 15  1  0
M  END
$$$$
Mol_1216
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
    2.3545   -4.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1651   -3.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2211   -3.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4105   -2.9868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2136   -1.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1726   -0.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3620   -1.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7482   -1.2677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9376   -2.1817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9451    0.2193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3313    0.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0635    0.8484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
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  5 18  1  0
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 17 11  1  0
 28 19  1  0
 30  5  1  0
M  END
$$$$
Mol_1217
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.3091   -2.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0056   -1.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7714   -2.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2372    1.9822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5016    0.6726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
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 15  2  1  0
 11  5  1  0
M  END
$$$$
Mol_1218
     RDKit          2D

 41 43  0  0  0  0  0  0  0  0999 V2000
  -13.1816   -1.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9690   -0.0697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1487    0.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9362    2.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5440    2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3643    1.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6567    3.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9389    1.5064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5768    0.4886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.0050    0.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8253   -0.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0379   -2.2908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1777   -3.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5368   -0.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2801    1.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2066    2.3868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4807    3.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2075    1.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6482    3.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1634    3.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2369    2.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7952    1.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2963    1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1343    0.0732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
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 41 30  1  0
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M  END
$$$$
Mol_1219
     RDKit          2D

 41 43  0  0  0  0  0  0  0  0999 V2000
    4.9261    2.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1855    1.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6855    1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9449    0.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4449    0.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7161   -1.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1293   -1.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4004   -3.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8136   -3.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0848   -5.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4980   -5.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9427   -6.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2714   -0.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6846   -1.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0002    0.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9609   -0.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3675    5.0442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
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 34  6  1  0
 30 25  1  0
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M  END
$$$$
Mol_1220
     RDKit          2D

 28 29  0  0  0  0  0  0  0  0999 V2000
    5.6518   -0.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6894    0.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2118    0.6880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1347   -0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4152   -2.1262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5383   -3.1205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1959   -2.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7764   -4.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2817   -3.2580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3588   -4.7560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0149   -2.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0037   -2.8611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4445   -2.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1420    4.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1309    2.1062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0051   -0.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
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 11 12  1  0
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 25  3  1  0
 28 11  1  0
M  END
$$$$
Mol_1221
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -1.0097   -2.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2533   -1.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0424    0.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5060    0.8664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1076   -1.0383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9732    2.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6409    2.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3778    1.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4471    0.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1841   -0.3911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.6019   -0.7509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  6 10  1  0
 10 11  1  0
 11 12  1  0
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 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 15  2  1  0
 13  5  1  0
M  END
$$$$
Mol_1222
     RDKit          2D

 40 45  0  0  0  0  0  0  0  0999 V2000
   -3.0921   -4.9751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9475   -3.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1682   -2.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0236   -1.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2443   -0.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0996    1.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3203    2.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6856    1.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9063    2.3697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8302    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6095   -0.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583   -0.4960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4376   -1.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5822   -2.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3615   -3.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5061   -5.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0038   -3.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5137   -0.9970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0723   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4376    1.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6583    0.4960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0996   -1.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3203   -2.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6856   -1.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9063   -2.3697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8302   -0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1682    2.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0921    4.9751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
  4 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
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 17 18  1  0
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 18 20  2  0
 20 21  1  0
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 22 24  1  0
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 25 26  1  0
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 31 32  2  0
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 34 35  1  0
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 36 37  2  0
 30 38  1  0
 38 39  1  0
 39 40  2  0
 14  2  1  0
 28 21  1  0
 37 31  1  0
 11  5  1  0
 20 13  1  0
 39 27  1  0
M  END
$$$$
Mol_1223
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
   12.2613    1.1390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0288    0.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1530   -1.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6721    0.9239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4396    0.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5638   -1.4259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0830    0.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8505   -0.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4938    0.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2613   -0.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9047    0.2786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6722   -0.5763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6845    0.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9170   -0.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5061   -1.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8628   -0.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9870    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3437    1.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5762    0.9132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4520   -0.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0953   -1.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8353   -1.1617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8144   -0.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0362    1.2570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 22 17  1  0
 25 20  1  0
M  END
$$$$
Mol_1224
     RDKit          2D

 31 36  0  0  0  0  0  0  0  0999 V2000
   -6.4717   -2.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6232   -1.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2702    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4217    1.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9262    1.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5732    2.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0777    2.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5822    2.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9353    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2883   -0.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7838   -0.3039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1368   -1.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2072   -0.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7027   -0.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -1.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3497   -2.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8452   -2.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1891   -1.0020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0467    0.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9016    1.9606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4918    0.8698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9042    1.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1277   -1.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4807   -2.7778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
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  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
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 11 29  1  0
 29 30  1  0
 30 31  1  0
 30  2  1  0
 29  5  1  0
 11  9  1  0
 27 14  1  0
 27  9  1  0
 24 15  1  0
M  END
$$$$
Mol_1225
     RDKit          2D

 39 45  0  0  0  0  0  0  0  0999 V2000
   -8.7361   -3.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8244   -2.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4000   -0.9611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4883    0.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0640    1.6151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0009    0.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5766    1.4211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0892    1.2271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6018    1.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2026    2.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2909    3.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1965    3.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7722    1.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9235   -1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5525   -1.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3305    0.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3060   -0.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8318    2.8858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6270    0.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0513   -0.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9630   -1.9312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5387   -0.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0261   -0.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9378   -1.5432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4252   -1.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3370   -2.5403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
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 10 11  1  0
 11 12  1  0
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 22 23  1  0
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 25 26  1  0
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 32 33  1  0
 33 34  2  0
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 38 39  1  0
 39  2  1  0
 38  6  1  0
 36  9  1  0
 32 11  1  0
 30 14  1  0
 30 18  1  0
 26 21  1  0
M  END
$$$$
Mol_1226
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -3.4921   -0.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0414   -0.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4973    1.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003    1.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3817   -0.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8643    0.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8029   -1.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4084    1.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4532   -1.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8801   -0.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10  2  1  0
 10  5  1  0
M  END
$$$$
Mol_1227
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
    3.4965   -2.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9293   -2.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2611   -4.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0302   -1.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4630   -2.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6984   -0.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2656    0.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9338    1.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0347    2.6848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5010    2.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0181    3.5302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5183    3.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0742    2.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0541    3.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0114    0.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5606   -1.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9224   -2.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2843   -2.7967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5097   -1.9317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8716   -2.5604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3733   -0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7560    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8681   -0.5629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4241   -0.0455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1987   -0.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1632   -0.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2996    1.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6088    0.4797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
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 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 19 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 31 10  1  0
 31 13  1  0
 28 15  1  0
 25 18  1  0
M  END
$$$$
Mol_1228
     RDKit          2D

 35 38  0  0  0  0  0  0  0  0999 V2000
   -2.2919    4.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6703    3.7157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8471    2.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6455    1.3283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8223   -0.1613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -1.0592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7976   -2.5487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5960   -3.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7728   -4.9362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4287   -5.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2519   -7.3236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8071   -5.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9839   -3.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3623   -3.1613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7824   -2.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9592   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3376   -0.7738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2424   -0.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0656    1.0220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3128    1.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5144    0.7157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8928    1.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0944    0.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4728    1.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0696    2.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4480    3.3886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    3.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0449    5.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4897    3.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2881    4.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2007   -0.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4023    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7807   -0.4467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2255    1.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4271    2.5324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
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 22 23  1  0
 23 24  1  0
 22 25  1  0
 25 26  1  0
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 27 29  1  0
 29 30  1  0
  5 31  2  0
 31 32  1  0
 32 33  1  0
 32 34  2  0
 34 35  1  0
 34  3  1  0
 18  6  2  0
 29 20  1  0
 15  8  1  0
M  END
$$$$
Mol_1229
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
   -4.3509   -6.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9900   -5.1950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5487   -4.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4683   -5.8201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1878   -3.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2683   -2.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9074   -0.8272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4661   -0.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1052    1.0442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1857    2.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8248    3.5406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9053    4.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5444    6.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1031    6.4525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3466    4.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4271    5.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7075    2.7097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1488    2.2943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6270    1.6692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9879    0.2133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3857   -1.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1105   -1.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9037   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4028   -0.1226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1959    1.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4899    2.4740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6951    1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4011   -0.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9003   -0.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6934    0.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9874    2.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4882    2.3734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6744   -2.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1303   -3.0964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5267   -3.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6334   -5.1975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7465   -2.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
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 17 18  1  0
 17 19  1  0
 19 20  1  0
  8 21  1  0
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 31 32  2  0
 22 33  1  0
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 33 35  1  0
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 37  5  1  0
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 37 21  1  0
 32 27  1  0
M  END
$$$$
Mol_1230
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.8925    1.2262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8348    0.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2951   -1.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8132   -1.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8710   -0.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6109   -0.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1505   -2.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6324   -2.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5747   -1.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0350    0.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9772    1.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4591    1.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9988   -0.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0565   -1.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4966   -0.0876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8826    1.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6234    2.1770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3166    0.2915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2589   -0.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7408   -0.6432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2804    0.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3382    1.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8563    1.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
  2 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 14  9  1  0
 23 18  1  0
 17 12  1  0
M  END
$$$$
Mol_1231
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
    2.4374    2.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0077    1.3005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0374    0.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077   -1.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483   -1.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7186   -3.0109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5945    0.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0919    0.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4924   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9409    1.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3706    0.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3409   -0.8295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1185   -0.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3112   -1.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483    0.9541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4815    2.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15  2  1  0
 13  5  1  0
 16 10  1  0
M  END
$$$$
Mol_1232
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
    7.6850   -3.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 32 33  1  0
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M  END
$$$$
Mol_1233
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -2.0975   -3.8920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6447   -3.5187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 13  6  1  0
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 32 20  2  0
 32 26  1  0
M  END
$$$$
Mol_1234
     RDKit          2D

 25 25  0  0  0  0  0  0  0  0999 V2000
    1.1867   -2.2767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4434   -0.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0111    2.0850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8276    1.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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 23 25  2  0
 25 17  1  0
M  END
$$$$
Mol_1235
     RDKit          2D

 39 43  0  0  0  0  0  0  0  0999 V2000
   -9.9708    2.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5557    1.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.8638   -0.3570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5870   -1.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1236
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
    0.0477    5.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33  5  1  0
 18  9  1  0
M  END
$$$$
Mol_1237
     RDKit          2D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1238
     RDKit          2D

 45 50  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1239
     RDKit          2D

 46 51  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1240
     RDKit          2D

 49 54  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1241
     RDKit          2D

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M  END
$$$$
Mol_1242
     RDKit          2D

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M  END
$$$$
Mol_1243
     RDKit          2D

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M  END
$$$$
Mol_1244
     RDKit          2D

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M  END
$$$$
Mol_1245
     RDKit          2D

 43 48  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1246
     RDKit          2D

 38 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1247
     RDKit          2D

 43 48  0  0  0  0  0  0  0  0999 V2000
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    0.5088    4.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 33 34  1  0
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 40 41  1  0
 41 42  1  0
 20 43  1  0
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 15  6  1  0
 41 23  1  0
 41 26  1  0
 38 27  1  0
 36 30  1  0
M  END
$$$$
Mol_1248
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
    2.0301    2.7766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0276    1.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4965    1.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9679    3.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4368    3.6878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0797   -3.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5561    0.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
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  9 34  1  0
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M  END
$$$$
Mol_1249
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
   -0.6202    2.4057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.4897    2.1614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9300    0.7275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3920    0.3918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9084   -0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3487   -1.8047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4464   -0.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4231    0.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8418    2.7413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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 12  5  1  0
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 32 25  1  0
M  END
$$$$
Mol_1250
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -4.5841   -4.3648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3537   -3.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4817   -2.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2514   -1.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5509   -0.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3653    1.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5616    2.0079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3761    3.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9835    1.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7979    3.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6202    2.0620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8954    3.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8340   -1.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2225    0.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7230    0.9661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
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 11 12  1  0
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 12 23  1  0
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 23  4  1  0
 24  4  1  0
 22 13  1  0
M  END
$$$$
Mol_1251
     RDKit          2D

 26 26  0  0  0  0  0  0  0  0999 V2000
    1.2176    1.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4084    1.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  4  1  0
M  ISO  1   1   2
M  END
$$$$
Mol_1252
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
   -7.3611   -2.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7443   -0.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7384   -1.4303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2201    1.1155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8165    1.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3467    1.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5267   -0.7304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9768   -2.1259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 16 22  1  0
 22 23  2  0
 10 24  1  0
 24 25  1  0
 24  4  1  0
 23 13  1  0
M  END
$$$$
Mol_1253
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
    5.4255   -3.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2080   -2.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8405   -3.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6535   -0.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8424    1.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5864    2.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9551    2.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4641    2.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3294   -1.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4422   -3.1299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8205   -2.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.5610    0.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6129    0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0091    2.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5180    2.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6308    0.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2565   -0.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2386    0.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 13 31  1  0
 31  4  1  0
 31  7  1  0
 29 11  1  0
 29 16  1  0
 26 17  1  0
M  END
$$$$
Mol_1254
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.6640    1.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2245   -0.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2468   -1.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7627   -0.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3232   -1.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1386   -2.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1609   -1.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6004   -2.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6226   -1.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6449   -0.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2054    1.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7436    1.5149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3040    2.9491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7213    0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7405    0.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1800    2.1878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 15  4  1  0
 14  7  1  0
M  END
$$$$
Mol_1255
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -6.5328   -2.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5582   -1.2770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0834   -1.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833   -2.9651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1088   -0.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6089    1.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6343    2.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1345    3.5578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1595    1.8697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3312    3.1202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6594    0.4556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2943   -0.7023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6464    1.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8429    2.6808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9386    0.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9249   -1.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2170   -1.8299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2033   -3.3298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5228   -1.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8150   -1.8536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5365    0.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8424    1.1463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2444    1.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6340   -0.6847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
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 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  2  0
 11 24  1  0
 24  5  1  0
 23 15  1  0
M  END
$$$$
Mol_1256
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -4.7033    4.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4022    2.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9790    2.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5242    1.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9474    2.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2231    0.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7999   -0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4988   -1.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6209   -2.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0757   -2.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6226   -3.6182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1226   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3513   -2.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7261   -1.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9331   -2.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3078   -1.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4756   -0.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8503    0.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0180    1.6848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3928    2.2848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8110    2.5753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4362    1.9753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2685    0.4847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0615    1.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8938   -0.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6867    0.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6880    0.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8557   -1.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1492   -0.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
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 13 14  1  0
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 17 18  1  0
 18 19  1  0
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 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 10  1  0
 28 13  1  0
 25 14  1  0
 23 17  1  0
M  END
$$$$
Mol_1257
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -4.4473   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9932   -0.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5851    1.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1310    1.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7229    2.8544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0851    0.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3690    0.7041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7771    2.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2312    2.5158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4150   -0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0069   -1.8145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0529   -2.8896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5528   -2.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4932   -1.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9472   -1.4759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15  2  1  0
 14  6  1  0
M  END
$$$$
Mol_1258
     RDKit          2D

 24 24  0  0  0  0  0  0  0  0999 V2000
   -1.5145   -0.0562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9065   -1.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7900   -2.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2816   -2.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8896   -1.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3811   -0.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9891    0.4210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1056    1.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7136    3.0044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6141    1.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7305    2.6863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0060    0.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5850   -1.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931   -2.9578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4686   -0.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8606    0.9969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9601   -0.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5681   -1.9047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8437    0.6787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2356    2.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3352    0.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9432   -0.8516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2187    1.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7103    1.5728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
  2 13  1  0
 13 14  2  0
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 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 12  5  1  0
M  END
$$$$
Mol_1259
     RDKit          2D

 26 27  0  0  0  0  0  0  0  0999 V2000
  -10.2879   -1.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0205   -0.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5002   -1.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
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 10 11  1  0
 11 12  1  0
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 13 14  1  0
 14 15  1  0
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 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 10 25  1  0
 25 26  2  0
 26  7  1  0
 24 19  1  0
M  END
$$$$
Mol_1260
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
    2.3791   -3.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7864   -2.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9397   -3.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0403   -1.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3856   -0.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1703    0.7444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6920    0.9983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5252    2.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8617    3.5908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0220    2.1475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8915    2.2669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3926    2.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6943    0.8804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0041   -0.4471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7001   -1.8926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0018   -0.5651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2013   -1.8336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9936   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
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  7 11  1  0
 11 12  1  0
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 13 15  1  0
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 29 30  1  0
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 31 32  1  0
 32 33  1  0
 32 34  1  0
 34  4  1  0
 34  7  1  0
 32 13  1  0
 29 15  1  0
 27 19  1  0
M  END
$$$$
Mol_1261
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.1517    3.3495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9779    1.8596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6007    1.2652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4269   -0.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6303   -1.1202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1505   -2.5414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6506   -2.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2034   -1.0925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2178   -0.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4413   -1.4805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6447   -0.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0765   -1.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1796   -0.0159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1649    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0327    2.0597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6650    0.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7695    2.0225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0075   -0.5257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2109   -1.4212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1813    0.9642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  1  0
 18 19  2  0
 18 20  1  0
 20  2  1  0
  8  4  1  0
 16  9  1  0
M  END
$$$$
Mol_1262
     RDKit          2D

 32 34  0  0  0  0  0  0  0  0999 V2000
  -11.2125   -0.8897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7721   -0.4713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6895   -1.5095    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2490   -1.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1664   -2.1294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7259   -1.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3681   -0.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9276    0.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8450   -0.8741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4046   -0.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6780   -1.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1185   -1.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4764    0.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9168    0.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2747    2.2562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9994   -0.2387    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4399    0.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5225   -0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9629   -0.4401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0455   -1.4784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6876   -2.9351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4860   -1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7977    1.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7151    2.6747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2382    2.0548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3938    1.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0467    1.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.9737    1.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6159    2.8605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4142    0.9854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
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  7 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32  2  1  0
 29  4  1  0
 27 10  1  0
M  END
$$$$
Mol_1263
     RDKit          2D

 34 36  0  0  0  0  0  0  0  0999 V2000
  -10.7689   -1.0353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2832   -0.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7194    0.5614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2337    0.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3118   -0.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8757   -1.8052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9538   -2.9885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3614   -2.0119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8261   -0.2085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9043   -1.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4186   -1.1851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2623    1.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7766    1.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5528   -0.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0385   -0.5651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6023    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0880    1.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6519    2.4216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4956    0.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4174   -1.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9031   -0.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8249   -2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.6698    2.1581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
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 10 11  2  0
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 13 14  1  0
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 28 30  1  0
 18 31  1  0
 31 32  2  0
 12 33  1  0
 33 34  1  0
  8  2  1  0
 32 15  1  0
 34  4  1  0
M  END
$$$$
Mol_1264
     RDKit          2D

 34 36  0  0  0  0  0  0  0  0999 V2000
  -11.1189   -0.6546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.0805   -1.9249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6375   -1.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708   -0.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8278    0.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1182   -2.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0588   -0.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1351   -1.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7684   -2.8267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5781   -0.9626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9063    1.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8300    2.8070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3493    2.1719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5011    1.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0581    1.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.4996    3.0737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3093    1.2095    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
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 10 11  2  0
  9 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
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 18 19  1  0
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 22 23  2  0
 22 24  1  0
 19 25  1  0
 25 26  2  0
 25 27  1  0
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 28 29  2  0
  7 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34  2  1  0
 31  4  1  0
 29 12  1  0
M  END
$$$$
Mol_1265
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -5.5947   -1.9326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3727   -1.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5151    0.4305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2931    1.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4355    2.7937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9287    0.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7068    1.5470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6576    0.9237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -0.5695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1643   -1.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3067   -2.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6711   -3.3093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3863   -0.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7507   -0.9462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2439    1.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4659    2.0403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8796    1.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7372    3.2869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7864   -0.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4220   -1.4394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0084   -1.6860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
  6 19  1  0
 19 20  2  0
 19 21  1  0
 21  2  1  0
 17  8  1  0
M  END
$$$$
Mol_1266
     RDKit          2D

 32 34  0  0  0  0  0  0  0  0999 V2000
  -10.9586   -1.1908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4744   -0.9740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9200    0.4199    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4358    0.6367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5059   -0.5403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0602   -1.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1303   -3.1110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5444   -2.1509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0216   -0.3234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4673    1.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9831    1.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0531    0.1103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5689    0.3271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3610   -0.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8453   -0.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3996    0.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8838    0.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4382    2.3715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8138   -0.1993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2980    0.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2279   -1.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7122   -0.9425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6421   -2.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0877   -3.5133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1263   -1.9027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8523    1.4114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9224    2.5884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3366    1.6282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4697    1.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0146    1.7210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3972    2.2474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8815    2.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
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 26 28  1  0
 16 29  1  0
 29 30  2  0
 10 31  1  0
 31 32  1  0
  8  2  1  0
 30 13  1  0
 32  4  1  0
M  END
$$$$
Mol_1267
     RDKit          2D

 33 38  0  0  0  0  0  0  0  0999 V2000
    7.6813   -3.3275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6089   -2.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1644   -2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0920   -1.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6475   -2.0386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5751   -0.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306   -1.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9418   -0.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5697    1.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8748    1.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2468    2.9652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6913    3.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0634    4.8227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7637    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917    0.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4641   -0.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9085    0.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9810   -0.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4254   -0.4212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9472    0.4633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6421    2.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0866    1.7522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1590    2.8010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4586    0.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9031   -0.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9755    0.9435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4200    0.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7921   -0.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2365   -1.3183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7197   -1.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0917   -3.4159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2752   -1.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3862   -0.7497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
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  9 21  1  0
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 24 33  1  0
 18  2  1  0
 32 25  1  0
 16  4  1  0
 20  6  1  0
 33  8  1  0
 20 10  2  0
M  END
$$$$
Mol_1268
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -5.1077    0.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6684    0.4365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5830   -0.5988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9368   -2.0565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1437   -0.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0582   -1.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4120   -2.6693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3811   -0.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4666   -1.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9059   -1.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2597    0.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1742    1.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7349    0.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6494    1.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0033    3.1614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7899    1.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8753    2.3165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
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 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 16  5  1  0
 13  8  1  0
M  END
$$$$
Mol_1269
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.5070   -0.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0108   -0.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3543    1.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1419    1.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7983    2.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9817   -0.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4780    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3178   -1.1977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3253   -1.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1710   -1.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
 10  2  1  0
M  END
$$$$
Mol_1270
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.5833   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8333    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5833    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3333   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4167   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9167   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6667    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9167    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4167    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
M  END
$$$$
Mol_1271
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -2.5910   -1.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8291   -0.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2339    0.3479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5551    1.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1409    1.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9993    0.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7253   -0.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6889   -1.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1395   -0.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8775   -1.4585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2973    0.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
  8  2  1  0
  9  6  1  0
M  END
$$$$
Mol_1272
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -7.7942   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942   -0.3462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
M  END
$$$$
Mol_1273
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
    2.1580    0.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7610    0.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3817   -1.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1157   -1.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3787   -0.3223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9995    1.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5021    1.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0442   -0.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5036    0.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1476   -1.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  7  2  1  0
  8  4  1  0
M  END
$$$$
Mol_1274
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -6.4952    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
M  END
$$$$
Mol_1275
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -5.3278   -2.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1892   -1.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4656    0.4142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8806    0.9120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3270    1.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6034    2.8650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9120    0.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7734    1.8695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6416    1.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9180   -0.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2206   -1.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0558   -2.5534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6356   -0.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7742   -1.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4978   -3.0322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3330   -0.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6094   -2.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0244   -2.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630   -1.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8866   -0.1216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0251    0.8549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4716    0.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.8505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7801    2.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5037    3.8226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 10 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 14  2  1  0
 22 16  1  0
 13  7  1  0
 24  9  1  0
M  END
$$$$
Mol_1276
     RDKit          2D

 25 24  0  0  0  0  0  0  0  0999 V2000
  -15.5885   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2894    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9904   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6913    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3923   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0933    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6913    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9904   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5885   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
M  END
$$$$
Mol_1277
     RDKit          2D

 39 42  0  0  0  0  0  0  0  0999 V2000
  -10.0540    1.0037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6619    1.5623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4496    3.0472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4820    0.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0900    1.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9101    0.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5180    0.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3382   -0.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9461    0.4594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3241   -0.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5811   -1.8163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9894   -2.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2464   -3.8105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1408   -1.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5491   -1.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7004   -0.9261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1087   -1.4425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2601   -0.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6684   -0.9973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9254   -2.4752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0031    0.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1544    1.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5948    1.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3378    2.9910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4434    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0351    1.0681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8838    0.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4754    0.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9168    2.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5798    1.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5412    3.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0191    2.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0249    4.4736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1224   -1.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5145   -1.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7267   -3.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5469   -4.1863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1188   -3.8187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6943   -0.8489    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 14 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  2  0
 31 33  1  0
  6 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  2  0
 36 38  1  0
 35 39  1  0
 39  4  1  0
 30  9  1  0
 28 10  1  0
 25 16  1  0
M  CHG  2   9   1  33  -1
M  END
$$$$
Mol_1278
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -5.0383   -1.5511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7320   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4403   -1.5763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1340   -0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1195    0.6609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1868    1.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2014    2.8982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0903    3.6608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5077    3.6355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4785    0.6356    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4639   -0.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7556   -1.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0619   -0.8896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7410   -3.1268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1576   -1.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  6 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 11 15  1  0
 15  4  1  0
M  END
$$$$
Mol_1279
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -6.2926    1.9237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8748    0.4831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4183    0.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3795    1.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9230    0.8480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8842    1.9301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5723    1.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9900    0.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0488   -0.9512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3689   -2.3919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5053   -0.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5441   -1.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1264   -3.1154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0006   -1.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0394   -2.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4465   -0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8642   -1.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3207   -2.0269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3595   -0.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8160   -1.3034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9418    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4853    0.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0676    2.2950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6111    2.6536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1933    4.0943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
  8 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 14  3  1  0
 22 16  1  0
 11  5  2  0
 24  7  1  0
M  END
$$$$
Mol_1280
     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
    5.2241   -2.3821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7270   -2.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0598   -3.8195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8971   -1.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -1.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5701   -0.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9269   -0.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7568    1.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2539    0.9906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2098    2.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6046    1.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5106    0.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0578   -0.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5058   -1.6705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0219   -1.8899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4377   -2.8459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2373    1.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7344    1.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4015    2.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5716    3.9594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8986    2.8039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5643    0.1169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
  6 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 18 22  1  0
 22  4  1  0
 13  9  1  0
M  CHG  2   9   1  16  -1
M  END
$$$$
Mol_1281
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.9197   -1.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8615   -0.5809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2529    0.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1946    1.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2551    1.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6466    0.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0963   -0.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1546    0.7752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4878   -1.7359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4117   -0.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  6 10  2  0
 10  2  1  0
M  CHG  2   2   1   9  -1
M  END
$$$$
Mol_1282
     RDKit          2D

 36 39  0  0  0  0  0  0  0  0999 V2000
    8.9994   -2.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6722   -0.7512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2408   -0.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1367   -1.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7053   -0.8694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6012   -1.8848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1698   -1.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0657   -2.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3929   -3.9154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8426    0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4112    0.4762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0840    1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3474    2.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4515    1.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1243   -0.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2284   -1.1059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6598   -0.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9870    0.8065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4184    1.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7456    2.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6415    3.7342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5225    0.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9539    0.6882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1953   -1.2242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2994   -2.2395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7639   -1.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4367   -3.1366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6929   -0.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3657   -2.0030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9467    1.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6195    2.5068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3781    0.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4822    1.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1550    3.0736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9136    1.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0177    2.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 15 28  2  0
 28 29  1  0
 10 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  2  0
 35 36  1  0
 35  3  1  0
 32  5  2  0
 28 11  1  0
 26 17  1  0
M  END
$$$$
Mol_1283
     RDKit          2D

 30 29  0  0  0  0  0  0  0  0999 V2000
  -18.8367   -0.3387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.5363    0.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2387   -0.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9382    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6406   -0.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3401    0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0425   -0.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7420    0.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4445   -0.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1440    0.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8464   -0.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5459    0.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2483   -0.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9478    0.3788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6502   -0.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6502    0.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9478   -0.3788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2483    0.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5459   -0.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8464    0.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1440   -0.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4445    0.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7420   -0.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0425    0.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3401   -0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6406    0.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9382   -0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2387    0.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5363   -0.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8367    0.3387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
M  END
$$$$
Mol_1284
     RDKit          2D

 29 28  0  0  0  0  0  0  0  0999 V2000
  -18.1865   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.8875    0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5885   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2894    0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9904   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6913    0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3923   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0933    0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952    0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952    0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933    0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6913    0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9904   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894    0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5885   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8875    0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
M  END
$$$$
Mol_1285
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -6.0988    2.2919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7948    0.8230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3708    0.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7065    1.8758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7176    1.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0215   -0.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0986   -1.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2053   -2.5309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5227   -0.5908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6428   -1.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3389   -3.0573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0669   -1.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1870   -2.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4455   -0.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7495   -2.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1735   -2.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2936   -1.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9897   -0.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1099    0.9884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5657    0.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2618    1.9309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8377    2.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5338    3.8710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
  8 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
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 20 21  1  0
 20 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 14  3  1  0
 22 16  1  0
 11  5  2  0
 24  7  1  0
M  END
$$$$
Mol_1286
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -1.2121   -2.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4400   -1.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8379   -0.6114    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0658    0.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    1.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4979    1.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6721    2.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0700    1.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2979    0.1782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6958   -0.3657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1279   -0.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3558   -2.2431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2700   -0.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  2  0
 13  2  1  0
 13  6  1  0
M  END
$$$$
Mol_1287
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -6.7385    0.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6321   -0.9402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2018   -0.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8778    0.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9841    1.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4474    1.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1234    2.8923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3410    0.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6650   -1.0497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0954   -1.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4194   -2.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5587   -2.0626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8717   -1.6109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9781   -2.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4085   -2.1722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7325   -0.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1628   -0.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2692   -1.2688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4869    1.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3805    2.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9501    1.7699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6261    0.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1957   -0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5197    1.3182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0894    0.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4134    2.3311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
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 22 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 10  3  1  0
 23 13  1  0
 25  8  1  0
 22 16  1  0
M  END
$$$$
Mol_1288
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.5131    1.5349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.9426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.6926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.9426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    1.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952    0.9426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952   -0.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -1.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -2.8074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -1.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -2.8074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -1.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952   -0.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952    0.9426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    1.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.9426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    1.6926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.9426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5131    1.5349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
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 17 18  2  0
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 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 12  2  1  0
 24 14  1  0
  9  4  1  0
 22 17  1  0
M  END
$$$$
Mol_1289
     RDKit          2D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -6.1366    2.4614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9025    0.9798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5023    0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3362    1.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9361    0.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7020   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8681   -1.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6340   -3.0596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2682   -1.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4343   -1.9835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3018   -1.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0678   -2.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8642   -0.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0983   -1.7107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2644   -0.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4985   -2.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8987   -2.7869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0647   -1.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8307   -0.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9967    0.5818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4305    0.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1964    1.6580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7962    2.1961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5622    3.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7282    4.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6302    1.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7700    1.7907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
  6 11  1  0
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 13 14  1  0
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 24 25  1  0
 23 26  1  0
 26 27  1  0
  9  3  1  0
 26 13  1  0
 27  5  1  0
 21 15  1  0
M  END
$$$$
Mol_1290
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -7.3237    2.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1858    0.9633    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4104    0.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8233    0.3360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5987    1.2022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2362    0.5749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0983   -0.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7358   -1.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5112   -0.6799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8513   -1.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9892   -2.8009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0758   -0.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4383   -1.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5763   -2.5620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6629   -0.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0254   -0.8295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500    0.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1121    1.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7496    2.1578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5250    1.2915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1625    1.9189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9379    1.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5754    1.6800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3229   -1.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6854   -1.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
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 21 22  1  0
 22 23  2  0
  7 24  1  0
 24 25  2  0
 25  4  1  0
 22 12  1  0
 20 15  1  0
M  END
$$$$
Mol_1291
     RDKit          2D

 32 31  0  0  0  0  0  0  0  0999 V2000
  -20.1357   -0.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.8354    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.5376   -0.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2373    0.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9396   -0.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6392    0.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3415   -0.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0412    0.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7434   -0.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4431    0.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1453   -0.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5473   -0.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2470    0.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9492   -0.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6489    0.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6489   -0.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9492    0.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2470   -0.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5473    0.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8450   -0.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1453    0.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4431   -0.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7434    0.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0412   -0.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3415    0.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6392   -0.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9396    0.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2373   -0.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5376    0.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8354   -0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1357    0.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
M  END
$$$$
Mol_1292
     RDKit          2D

 23 23  0  0  0  0  0  0  0  0999 V2000
   -4.0788    3.4086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7651    2.6846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7352    1.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0190    0.4092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4215    0.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1376    1.2366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3916   -1.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0779   -1.7628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2060   -0.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1761    0.5127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4599    1.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4301    2.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1163    3.5121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7737    0.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0575    1.3401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8035   -0.9353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1173   -1.6593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5197   -1.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5496   -3.2107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6754   -1.8145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6455   -3.3142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9891   -1.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2730   -1.8663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
  7 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 18  9  1  0
M  END
$$$$
Mol_1293
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -6.0682    1.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8131    0.4798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4742    1.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3903    2.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0514    3.3299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7963    2.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8802    1.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2191    0.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3030   -1.1631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6419   -1.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7258   -3.3369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0647   -4.0131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4707   -4.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3749    0.1893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7138    0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9689    0.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8851   -1.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1401   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4791   -1.5988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7341   -2.4203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5629   -0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3079    0.7203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917    2.2179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7977    2.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5426    3.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
  7 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 15 24  1  0
 24 25  1  0
  8  3  1  0
 22 16  1  0
 25  6  1  0
M  END
$$$$
Mol_1294
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -4.7655   -2.4612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9555   -1.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6440    0.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8340    1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5224    2.7293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3356    1.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6472   -0.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1489   -0.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6751   -1.3299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1218   -0.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3843   -1.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7170   -1.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7872    0.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1199    1.1316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5246    1.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1919    0.5647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7886    1.0945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4572   -1.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
  7 18  2  0
 18  2  1  0
 17  8  1  0
 16 10  1  0
M  END
$$$$
Mol_1295
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
   -8.7623    2.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9028    1.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4084    1.5549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5489    0.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0546    0.4553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4197    1.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9253    1.9440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0658    0.7147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4286    0.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2881   -0.3849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7825   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4174    1.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9117    1.2335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5466    2.5925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6871    3.8218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0410    2.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9005    1.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3949    1.6226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656    0.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7713    0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1364   -1.3549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6420   -1.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0071   -2.8436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8666   -4.0729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2318   -5.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7374   -5.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1025   -6.9206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8779   -4.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6165   -4.4620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5128   -2.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0635    2.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5578    2.3331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2039    3.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8388    4.7918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2904    3.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1499    4.5324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1838   -1.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3243   -2.2628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6782   -1.1631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3131   -2.5222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5377    0.0662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0321   -0.0635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  2  0
  9 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
  4 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 41  2  1  0
 35  7  1  0
 22 11  1  0
 30 23  1  0
 20 13  1  0
M  CHG  1  21   1
M  END
$$$$
Mol_1296
     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.4246   -3.7563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3609   -2.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8142   -1.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3312   -0.9626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7845    0.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6985    0.6592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6349   -0.5127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1179   -0.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6646    1.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1476    1.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0840    0.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5373   -1.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0542   -1.4596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7209    1.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1742    3.0029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2039    1.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1402    2.5530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7506   -0.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2336   -0.2407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
  5 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18  3  1  0
 13  8  1  0
M  END
$$$$
Mol_1297
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
   -7.0610   -2.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5804   -2.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6320   -3.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0481   -1.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5675   -1.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9836    1.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0
  2  4  2  0
  4  5  1  0
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 24  6  1  0
 22 16  1  0
M  END
$$$$
Mol_1298
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -4.9386   -3.0287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8927    2.1429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8318    2.7445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9948   -1.3049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 19 20  1  0
  8 21  1  0
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 22  5  1  0
 19 10  1  0
M  END
$$$$
Mol_1299
     RDKit          2D

 47 51  0  0  0  0  0  0  0  0999 V2000
   -6.1718    5.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 32 10  1  0
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M  END
$$$$
Mol_1300
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -6.7120   -3.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2408   -2.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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  2  4  2  0
  4  5  1  0
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 22 16  1  0
M  END
$$$$
Mol_1301
     RDKit          2D

 28 32  0  0  0  0  0  0  0  0999 V2000
    1.7585   -1.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  2  1  0
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M  END
$$$$
Mol_1302
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1303
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
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  9 10  1  0
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M  END
$$$$
Mol_1304
     RDKit          2D

 49 55  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1305
     RDKit          2D

 43 48  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1306
     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1307
     RDKit          2D

 31 30  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1308
     RDKit          2D

 52 56  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1309
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1310
     RDKit          2D

 45 48  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_1311
     RDKit          2D

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M  END
$$$$
Mol_1312
     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1313
     RDKit          2D

 44 48  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1314
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1315
     RDKit          2D

 45 50  0  0  0  0  0  0  0  0999 V2000
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 26 45  1  0
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 43 24  1  0
 43 29  1  0
 40 30  1  0
M  END
$$$$
Mol_1316
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
    4.9841   -1.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4996   -1.2423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5711   -0.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2781    0.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7141    2.2919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1986    2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7546    3.9001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1271    1.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6116    1.5440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5401    0.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1418   -1.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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 25 26  1  0
  9  3  1  0
 26 20  2  0
 25  4  1  0
M  END
$$$$
Mol_1317
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -4.8488    0.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2820   -0.4720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2549   -1.5652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7946   -1.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7675   -2.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3072   -1.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7199   -3.0658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1802   -2.7229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2073   -3.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -3.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6946   -4.5664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6134   -1.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5863   -0.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9924    2.3357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4256    3.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8858    4.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9129    3.0214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3985    4.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8317    6.3010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0618    4.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0889    5.6153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4950    3.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9553    2.7431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2007   -3.7516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6881   -3.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1483   -3.3442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  4  5  1  0
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 17  6  1  0
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 15  8  1  0
M  CHG  1   7   1
M  END
$$$$
Mol_1318
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.3107   -3.1056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7418   -1.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6593   -0.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1457   -0.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7147   -2.1203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0633    0.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4944    1.8423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4119    3.0289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0079    2.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0904    0.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6040    1.0581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3136   -0.1285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000    0.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3689    1.4607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8553    1.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4243    3.0499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7729    0.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2593    0.6765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2040   -0.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1215   -2.0993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7175   -1.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2554   -1.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6622   -2.7031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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 22  2  1  0
 10  3  1  0
 21 13  1  0
M  END
$$$$
Mol_1319
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
    1.6478   -3.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2323   -3.0075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -1.5335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5655   -1.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7450   -0.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6020    1.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8136    0.9184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9510    1.8962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3666    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6447   -0.0740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0603   -0.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3383   -2.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7539   -2.5403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1977    0.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6133   -0.0885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0571    2.8595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5041    2.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9834   -1.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 20  3  1  0
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 18  9  1  0
M  END
$$$$
Mol_1320
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -5.5618   -2.5364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5413   -1.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0175    1.5269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0030    2.6262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4243    0.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3285   -1.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0790   -1.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 21  2  1  0
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M  CHG  1  19   1
M  END
$$$$
Mol_1321
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
    5.2488    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1160    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6981    0.6814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1474    1.1752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8190    3.1328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 26  6  1  0
 16  8  1  0
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M  END
$$$$
Mol_1322
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
    4.5877   -1.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0897   -1.4929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5521   -1.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  9  3  1  0
 25 19  2  0
 24  4  1  0
M  END
$$$$
Mol_1323
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
   -6.9393    2.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1930    1.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6930    1.2195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9467   -0.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4467   -0.0859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6930    1.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5533   -0.0944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0533   -0.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.2003   -1.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 35  6  1  0
 28  9  1  0
 18 11  1  0
 27 20  1  0
M  END
$$$$
Mol_1324
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -6.4195   -2.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.1935    0.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3334    1.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8391    1.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8505    0.9773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0097    2.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6439    0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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 27  9  1  0
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M  END
$$$$
Mol_1325
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.9867    0.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5062    1.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0086    1.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8129    2.3200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
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  7  9  1  0
  9 10  2  0
 10 11  1  0
 10  4  1  0
M  END
$$$$
Mol_1326
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.7994   -3.1938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2309   -1.8057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2555   -1.6040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2282   -1.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
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 10 11  2  0
  4 12  1  0
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 13 14  2  0
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 17 18  1  0
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 20  2  1  0
 11  5  1  0
 20 13  1  0
M  END
$$$$
Mol_1327
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
    4.9841   -1.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4996   -1.2423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5711   -0.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1317   -0.5908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2781    0.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7141    2.2919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1986    2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7546    3.9001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1271    1.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6116    1.5440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5401    0.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3082   -1.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1418   -1.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
  6 12  1  0
 12 13  1  0
 13 14  1  0
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 21 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 25 26  1  0
  9  3  1  0
 26 20  2  0
 25  4  1  0
M  END
$$$$
Mol_1328
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -5.8732   -2.1585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3885   -1.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6226    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0655   -1.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9930   -2.4818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0348   -0.8753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1491    1.9101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1294    3.1984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.2436    0.4130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  3  4  1  0
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  6  7  1  0
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 28 29  1  0
 28 30  1  0
 30 31  1  0
 30  3  1  0
 18  7  1  0
 25 19  1  0
 16  9  1  0
M  CHG  1  17   1
M  END
$$$$
Mol_1329
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
    3.5757   -4.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6904   -3.2314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3786   -1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9520   -1.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6401    0.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135    0.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.2515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1814    0.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4933   -0.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9199   -1.2240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9520   -1.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6317    3.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0216    4.6406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7548    1.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1814    0.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4933   -0.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9199   -1.2240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
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 14 15  1  0
 15 16  1  0
 14 17  2  0
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 18 19  1  0
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 26 27  1  0
 26  3  1  0
 21  6  1  0
 17  9  1  0
M  END
$$$$
Mol_1330
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
    6.1260   -3.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5952   -1.7719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5959   -0.6532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1275   -0.9592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1282    0.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6598   -0.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0442   -1.5145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4469   -1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7529    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3321    0.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.7375   -0.0994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0651    0.7715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5336    1.0776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  4  5  1  0
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 23 24  1  0
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 25  3  1  0
 22  6  1  0
 22  9  1  0
 19 11  1  0
M  END
$$$$
Mol_1331
     RDKit          2D

 33 34  0  0  0  0  0  0  0  0999 V2000
    7.0282   -3.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2885   -1.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6954    0.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5603    1.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2644    3.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0750    1.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0328    2.5882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4902    0.7361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 12  4  1  0
 33 12  1  0
M  END
$$$$
Mol_1332
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -5.0351    0.8140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3713    0.9602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8860    0.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3318    0.7069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5091   -1.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0633   -1.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11  5  1  0
M  END
$$$$
Mol_1333
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.5837   -0.5153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0855   -0.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2743   -1.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7760   -1.6337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0889   -0.3004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4094   -0.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3480   -1.3988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7508   -0.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0051   -1.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3447   -1.0155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6792    0.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8493    1.5692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2321    1.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7010    2.4283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9001    0.9614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2129    2.2947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3983    0.8897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
  5 15  1  0
 15 16  2  0
 15 17  1  0
 17  2  2  0
 13  6  1  0
M  END
$$$$
Mol_1334
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -5.5468    1.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3487   -0.3343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9620   -0.9062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7734    0.0088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3867   -0.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1981    0.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1886   -0.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3867   -1.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7734   -2.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9715   -3.7655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9620   -1.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3487   -1.9356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5373   -1.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7639    0.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3772    0.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1791    2.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7924    2.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5943    4.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7829    5.1556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3962    1.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7829    2.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9810    3.8975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1886   -2.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3772   -2.9649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7639   -2.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9525   -3.3080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
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 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
  5 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25  3  1  0
 20  6  1  0
 15  7  1  0
M  END
$$$$
Mol_1335
     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
    6.8433   -2.9194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000   -1.4624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1166   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6765   -0.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5930    0.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1529   -0.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6459   -1.6385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1466   -1.5925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2730   -0.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4589    0.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8991    0.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9825    1.3839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4226    0.9644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5060    2.0018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1493    3.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7793   -0.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2194   -0.9122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6959   -1.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0526   -2.9870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9692   -4.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2558   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9519    2.1778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5474    2.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9670    0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9497    1.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3899    2.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4733    1.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9134    1.4515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  2  0
 10 22  1  0
 22 23  1  0
 23 24  1  0
  5 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 27  3  1  0
 24  6  1  0
 24  9  1  0
 21 11  1  0
M  END
$$$$
Mol_1336
     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -4.0322   -1.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5430   -0.3046    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -3.0538    1.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9610    0.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250   -0.7937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9924    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2777    1.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1451    2.6457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2729    2.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4055    3.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8235    2.6508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5582    0.6839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4256   -0.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7109   -1.7721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1289   -2.2613    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    1.6397   -3.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6181   -0.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5469   -2.7505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  9 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 15 18  1  0
 13  6  1  0
M  END
$$$$
Mol_1337
     RDKit          2D

 44 43  0  0  0  0  0  0  0  0999 V2000
   12.9904    7.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894    6.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894    5.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5885    4.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5885    2.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8875    2.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8875    0.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5885   -0.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5885   -1.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   -2.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9904   -1.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6913   -2.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923   -1.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933   -2.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942   -1.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952   -2.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -1.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -2.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5981   -1.6364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -2.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -2.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -1.6364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1962   -1.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952   -2.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942   -1.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0933   -2.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3923   -1.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6913   -2.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9904   -1.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2894   -2.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5885   -1.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5885   -0.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.8875    0.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.8875    2.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5885    2.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5885    4.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2894    5.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2894    6.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9904    7.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
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 13 14  1  0
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 17 18  1  0
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 36 37  1  0
 37 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
M  END
$$$$
Mol_1338
     RDKit          2D

 27 28  0  0  0  0  0  0  0  0999 V2000
    7.5475   -1.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0392   -0.0921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5628    0.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5949   -0.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1185   -0.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1505   -1.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6589   -3.2643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6742   -1.5877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2938   -2.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7701   -2.4682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1658   -0.1765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3105    0.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2785   -1.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7548   -0.7916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2632    0.6197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7395    0.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7075   -0.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1838    0.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1518   -1.1413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2952    1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8188    1.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8509    2.6460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0545    1.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0225    2.7304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  4  5  1  0
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  6  7  1  1
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 21 12  1  0
M  END
$$$$
Mol_1339
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
   -3.8133    3.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3374    3.7216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1511    0.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6271    0.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2782   -0.9887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9090   -1.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7401   -1.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2641   -1.3912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
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 10 11  1  0
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M  END
$$$$
Mol_1340
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -8.9568    1.4930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9487    0.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4827    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0767    0.5421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5346   -0.8863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5265   -1.9971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8633    0.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8714   -1.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7872    1.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3212    1.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3893    0.8597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  6  7  1  0
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 21 22  1  0
 21 23  2  0
 15 24  1  0
 10  5  1  0
 23 16  1  0
 24  8  1  0
M  END
$$$$
Mol_1341
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -5.5059   -0.5977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2279    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2689    1.6870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9909    2.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6718    1.7581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6308    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9088   -0.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5569   -1.9848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0614   -2.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4890   -0.7142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9691   -0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5415    1.0242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0370    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0098    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4850    1.7784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3889   -0.5499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7754   -1.1223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1109   -1.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9949   -2.8307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
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 18 11  1  0
 10  6  1  0
M  END
$$$$
Mol_1342
     RDKit          2D

 23 22  0  0  0  0  0  0  0  0999 V2000
  -11.7545   -0.3410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4440    0.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1567   -0.3809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8463    0.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5589   -0.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2254    1.8088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0277   -0.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3381    0.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 21 22  2  0
 21 23  1  0
M  END
$$$$
Mol_1343
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
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 12  3  1  0
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M  END
$$$$
Mol_1344
     RDKit          2D

 37 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1345
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1346
     RDKit          2D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1347
     RDKit          2D

 43 49  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_1348
     RDKit          2D

 45 51  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1349
     RDKit          2D

 56 60  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1350
     RDKit          2D

 45 49  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1351
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1352
     RDKit          2D

 42 48  0  0  0  0  0  0  0  0999 V2000
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 20  4  1  0
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M  END
$$$$
Mol_1353
     RDKit          2D

 43 46  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1354
     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
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   10.3923   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 15 16  1  0
 16 17  1  0
M  END
$$$$
Mol_1355
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
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   -3.4094   -0.4515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9783   -1.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6 10  1  0
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 10 12  2  0
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M  END
$$$$
Mol_1356
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1357
     RDKit          2D

 67 72  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_1358
     RDKit          2D

 34 39  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_1359
     RDKit          2D

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$$$$
Mol_1360
     RDKit          2D

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M  END
$$$$
Mol_1361
     RDKit          2D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1362
     RDKit          2D

 45 51  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1363
     RDKit          2D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1364
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1365
     RDKit          2D

 43 46  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1366
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1367
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1368
     RDKit          2D

100107  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1369
     RDKit          2D

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M  END
$$$$
Mol_1370
     RDKit          2D

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$$$$
Mol_1371
     RDKit          2D

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M  END
$$$$
Mol_1372
     RDKit          2D

 35 40  0  0  0  0  0  0  0  0999 V2000
   -7.8439    1.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4933    1.0567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1373
     RDKit          2D

 43 49  0  0  0  0  0  0  0  0999 V2000
   -8.7172    3.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5474    2.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.6060   -0.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2079    0.3455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9796    1.8280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1494    2.7670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7049   -2.9481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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M  END
$$$$
Mol_1374
     RDKit          2D

 58 64  0  0  0  0  0  0  0  0999 V2000
   -0.6009    4.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7108    3.6814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.7881    2.5764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 57  3  1  0
 52  8  1  0
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 47 22  1  0
 32 25  1  0
 45 36  1  0
 45 30  1  0
M  END
$$$$
Mol_1375
     RDKit          2D

 56 62  0  0  0  0  0  0  0  0999 V2000
   -4.0336    6.4413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1376
     RDKit          2D

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$$$$
Mol_1377
     RDKit          2D

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M  END
$$$$
Mol_1378
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
    3.4509    0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1379
     RDKit          2D

 83 91  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1380
     RDKit          2D

 45 50  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1381
     RDKit          2D

 66 73  0  0  0  0  0  0  0  0999 V2000
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Mol_1382
     RDKit          2D

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$$$$
Mol_1383
     RDKit          2D

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M  END
$$$$
Mol_1384
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1385
     RDKit          2D

 61 68  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1386
     RDKit          2D

 59 65  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_1387
     RDKit          2D

 83 91  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1388
     RDKit          2D

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M  END
$$$$
Mol_1389
     RDKit          2D

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M  END
$$$$
Mol_1390
     RDKit          2D

 69 76  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_1391
     RDKit          2D

 54 59  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1392
     RDKit          2D

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$$$$
Mol_1393
     RDKit          2D

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M  END
$$$$
Mol_1394
     RDKit          2D

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$$$$
Mol_1395
     RDKit          2D

 36 40  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_1396
     RDKit          2D

 78 85  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1397
     RDKit          2D

 78 85  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_1398
     RDKit          2D

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$$$$
Mol_1399
     RDKit          2D

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 24 17  1  0
M  END
$$$$
Mol_1400
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1401
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1402
     RDKit          2D

 61 67  0  0  0  0  0  0  0  0999 V2000
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 48 36  1  0
 48 30  1  0
M  END
$$$$
Mol_1403
     RDKit          2D

 70 77  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1404
     RDKit          2D

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M  END
$$$$
Mol_1405
     RDKit          2D

 83 91  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1406
     RDKit          2D

 35 38  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_1407
     RDKit          2D

 72 79  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1408
     RDKit          2D

 26 31  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1409
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1410
     RDKit          2D

 67 73  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1411
     RDKit          2D

 67 74  0  0  0  0  0  0  0  0999 V2000
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 38 29  1  0
M  END
$$$$
Mol_1412
     RDKit          2D

 60 67  0  0  0  0  0  0  0  0999 V2000
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 24 17  1  0
M  END
$$$$
Mol_1413
     RDKit          2D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 22 10  1  0
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M  END
$$$$
Mol_1414
     RDKit          2D

 70 76  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1415
     RDKit          2D

 54 60  0  0  0  0  0  0  0  0999 V2000
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 34 14  1  0
 30 21  1  0
M  END
$$$$
Mol_1416
     RDKit          2D

 53 59  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1417
     RDKit          2D

 67 74  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1418
     RDKit          2D

 71 77  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1419
     RDKit          2D

 86 95  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1420
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.1825    5.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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M  END
$$$$
Mol_1421
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
    7.3408   -2.8267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1422
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -3.8971   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
M  END
$$$$
Mol_1423
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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  9 10  2  0
 10 11  1  0
 11  5  1  0
M  END
$$$$
Mol_1424
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
    9.5961    1.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1425
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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M  END
$$$$
Mol_1426
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
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   -5.9269   -2.5624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  2  0
 20 23  1  0
  5 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 26  3  1  0
 18  6  2  0
 15  8  1  0
M  END
$$$$
Mol_1427
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
    9.6384    1.8445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1491    1.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5591    0.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4584   -0.9137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0698    0.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5804   -0.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0911   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6018   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -0.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7869    0.5942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4775   -1.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9668   -2.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8662   -0.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3555   -1.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2549    0.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7442   -0.1202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6435    1.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1329    0.9017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0322    2.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  3  0
  6  7  1  0
  7  8  3  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
M  END
$$$$
Mol_1428
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -3.8971   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
M  END
$$$$
Mol_1429
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -3.0000   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
M  END
$$$$
Mol_1430
     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.0117    1.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0187    2.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3391    1.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5035    0.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9561   -1.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0157   -0.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4650   -0.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9880    1.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1923   -2.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8565   -3.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2052   -2.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6997   -2.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4743   -0.9575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0902   -2.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8019   -3.4611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2019   -1.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7183    0.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8527    1.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4561    0.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6555    2.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3197    3.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1802    3.6525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 21 22  1  0
 22  2  1  0
 13  5  1  0
M  END
$$$$
Mol_1431
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
    6.1622    1.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8263    1.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7491   -0.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0079   -1.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4132   -1.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1545   -0.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8186   -0.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4402   -0.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3630    1.3705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7760   -0.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0348    0.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3707   -0.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6294    0.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9653   -0.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5523    1.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
M  END
$$$$
Mol_1432
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
   11.5880    3.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1024    3.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5395    1.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0539    1.4838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4910    0.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0055   -0.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4426   -1.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9570   -1.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3941   -3.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9086   -3.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9859   -2.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4996   -2.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4223   -1.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9078   -1.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8305   -0.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3160   -0.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2387    0.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7242    0.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6469    1.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1324    1.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6953    0.1741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0551    2.7471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
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 13 14  1  0
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 15 16  1  0
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 19 20  1  0
 20 21  2  0
 20 22  1  0
M  END
$$$$
Mol_1433
     RDKit          2D

 27 28  0  0  0  0  0  0  0  0999 V2000
    0.7817   -5.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9849   -3.8074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3735   -3.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5590   -4.1593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5767   -1.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9653   -1.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1685    0.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5572    0.8664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7603    2.3526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5749    3.2716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7780    4.7578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1862    2.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0007    3.6235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9830    1.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3912   -0.8350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0026   -1.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2006   -2.8883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1829   -0.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5716   -1.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7571   -0.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5539    1.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7394    2.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1280    1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3135    2.6259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3312    0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7198   -0.3464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1457   -0.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  2  0
  5 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  3
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  2  0
 14  7  1  0
 27 20  1  0
M  END
$$$$
Mol_1434
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
  -12.2170   -0.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9049    0.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6193   -0.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3072    0.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0217   -0.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7096    0.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4240   -0.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1119    0.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8263   -0.4178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5142    0.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7714   -0.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0834    0.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3690   -0.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6811    0.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -0.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5644   -0.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8764    0.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9029    1.6253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1620   -0.6473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
M  END
$$$$
Mol_1435
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -3.6633    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5295   -0.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1121   -0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8286    0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9625    1.9640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5888    1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8722    2.9459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7226    0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1400    0.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4392   -0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5731   -1.9640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0218   -1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2617   -2.9459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12  3  1  0
M  END
$$$$
Mol_1436
     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
   -6.0000   -2.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -0.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.1299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.4682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.7672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.7672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.4682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.1299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -2.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -0.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 13  8  1  0
M  END
$$$$
Mol_1437
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2050   -3.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2392   -2.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2734   -1.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3257   -3.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1528   -1.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2861   -1.5235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3726   -0.4893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0202    0.9687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4187    1.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7711    2.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292    2.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6869    3.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1236    4.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5052    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9441    0.7821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8755   -1.9025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3749   -1.8609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7987   -0.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2119    0.0809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5612    0.4257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  1  0
  9 14  1  0
 14 15  2  0
  7 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 14  5  1  0
 20  7  1  0
M  END
$$$$
Mol_1438
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -5.4075   -0.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0010    0.3646    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8463   -0.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4398   -0.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1879    1.4070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2852   -1.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1214   -0.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3733    0.9706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7799    1.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9345    0.5343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6826   -0.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2760   -1.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
M  END
$$$$
Mol_1439
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2392    3.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3202    1.7368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6578    1.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388   -0.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0764   -1.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3331   -0.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2521    1.1983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9145    1.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0635    0.9178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2741    1.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5308    0.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8684    1.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1896    2.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5472    0.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2060    2.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4498   -0.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1122   -1.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0312   -2.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5290   -2.9778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4666   -2.8159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9502   -4.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1445   -0.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4821   -1.2588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  2  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 12 15  1  0
 11 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
 17 22  2  0
 22 23  1  0
  8  3  1  0
 22  9  1  0
M  END
$$$$
Mol_1440
     RDKit          2D

  9 10  0  0  0  0  0  0  0  0999 V2000
   -2.3055   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3055    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0065    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2925    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2925   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0065   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7191   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6008    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7191    1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  6  1  1  0
  9  4  1  0
M  END
$$$$
Mol_1441
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -4.2551   -0.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8948    0.4455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6672   -0.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069    0.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207   -0.6465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2810   -0.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5085   -0.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    1.4796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
M  END
$$$$
Mol_1442
     RDKit          2D

 28 28  0  0  0  0  0  0  0  0999 V2000
   -9.7500    1.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500    1.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -0.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -0.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -1.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -2.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -2.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.0928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.3918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.3918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.0928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -1.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -2.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -2.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -0.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -0.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    1.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    1.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 22 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 17 12  1  0
M  END
$$$$
Mol_1443
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -5.1962   -0.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    1.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.6818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    1.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
M  END
$$$$
Mol_1444
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -3.7892   -0.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4533    0.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3762    1.8496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1946   -0.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2717   -1.9622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1413    0.2180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4001   -0.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7359    0.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8131    1.5825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9947   -0.7313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
M  END
$$$$
Mol_1445
     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.9583   -2.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2259   -1.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1651    0.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8367    0.7402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4309   -0.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7592    0.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8200    2.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3552    0.5296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4327    0.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    1.9545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3495    2.0327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8218   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5543   -2.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
  3 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 18  2  1  0
M  END
$$$$
Mol_1446
     RDKit          2D

 39 33  0  0  0  0  0  0  0  0999 V2000
    3.5963    0.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3935   -0.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5681   -1.6211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0159    0.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8413    1.9521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1869   -0.4338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0123   -1.9236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5645    0.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7391    1.6496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7674   -0.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1449   -0.1427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4881    5.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2274    3.0403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8649    6.7677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7328    6.7236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9934    4.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9680    2.9521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7182    0.1026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3478    0.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1343   -0.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2912   -1.6609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7640    0.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6071    1.9327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5505   -0.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7074   -1.9327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1802    0.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0233    1.6609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -0.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5963   -0.1026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7677    0.0000 Ca  0  0  0  0  0 15  0  0  0  0  0  0
    0.0000    8.7677    0.0000 K   0  0  0  0  0 15  0  0  0  0  0  0
    0.0000    7.7677    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  2  4  1  0
  4  5  1  1
  4  6  1  0
  6  7  1  6
  6  8  1  0
  8  9  1  6
  8 10  1  0
 10 11  2  0
 12 13  2  0
 13 14  1  0
 14 15  1  6
 14 16  1  0
 16 17  1  6
 16 18  1  0
 18 19  1  6
 18 20  1  0
 20 21  1  1
 20 22  1  0
 22 23  2  0
 22 24  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  6
 27 29  1  0
 29 30  1  6
 29 31  1  0
 31 32  1  6
 31 33  1  0
 33 34  1  1
 33 35  1  0
 35 36  1  0
M  CHG  7  28  -1  30  -1  32  -1  34  -1  37   2  38   1  39   1
M  END
$$$$
Mol_1447
     RDKit          2D

 23 23  0  0  0  0  0  0  0  0999 V2000
   -8.1632   -1.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8791   -0.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9087    0.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4084    0.8926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9382    2.4218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4090    0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6335   -0.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1338   -0.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3584   -1.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0827   -2.9004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8587   -1.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1344   -0.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3653   -0.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0896    1.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3142    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5893    1.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3647   -0.1551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8644   -0.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5887    1.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0884    1.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8639   -0.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1396   -1.3801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6399   -1.4096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  1
  3  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  3
 14 15  1  0
 14 16  1  0
 16 17  1  0
 18 17  1  6
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
M  END
$$$$
Mol_1448
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
  -11.8785    0.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0818   -0.8981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5828   -0.8436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8805    0.4818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3815    0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5848   -0.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0858   -0.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2891   -1.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7901   -1.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9934   -3.1675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0878   -0.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5888   -0.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2079   -1.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1135    0.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6832    2.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0191    3.4052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5181    3.4597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3149    2.1888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8139    2.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6106    0.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9083   -0.3531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0027   -2.9495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2984   -4.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0951   -5.4368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0007   -2.8404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997   -2.7859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2040   -1.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9063   -0.2441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5162    3.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0152    3.6232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7195    4.8396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4218    6.1651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2204    4.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4237    6.0561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1822    2.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8845    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3835    0.6453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2871   -2.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7861   -2.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 19 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 15 38  1  0
 38 39  2  0
 39 40  1  0
  6 41  1  0
 41 42  2  0
 42  3  1  0
 40  7  1  0
 39 11  1  0
 36 17  1  0
 30 22  1  0
M  END
$$$$
Mol_1449
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -5.0843   -1.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5978   -1.8006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6806   -0.6137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1941   -0.8145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2769    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4638    1.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2629    2.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6403    1.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0711    2.9470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9100   -0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2978    0.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4847   -0.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8725   -0.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2838   -2.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  5 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
M  END
$$$$
Mol_1450
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
  -13.5269   -0.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2169    0.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9291   -0.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6191    0.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3313   -0.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0213    0.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7335   -0.3582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4235    0.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1357   -0.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8257    0.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7721    0.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0598   -0.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3699    0.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6576   -0.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9677    0.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2554   -0.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5655    0.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8532   -0.5894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1632    0.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1855    1.6411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4510   -0.6280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
M  END
$$$$
Mol_1451
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.7486   -0.0835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3132    0.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2183   -0.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7829   -0.2376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4425    1.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9929    1.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0878    0.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5232    1.0692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7474   -0.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8423   -1.8525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3120   -1.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  9 11  2  0
 11  4  1  0
M  END
$$$$
Mol_1452
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
   -9.0933   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
M  END
$$$$
Mol_1453
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.3531    0.2256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9476    0.7496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7910   -0.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3855    0.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1366    1.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2689    2.3216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    1.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1765   -0.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3331   -1.0680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7710   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5221   -2.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8834   -2.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  1  0
 10  4  1  0
M  END
$$$$
Mol_1454
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -5.1962   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
M  END
$$$$
Mol_1455
     RDKit          2D

 24 23  0  0  0  0  0  0  0  0999 V2000
    5.8755    6.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8721    4.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    3.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3963    2.3524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9237    0.9287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9204   -0.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4479   -1.6159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9787   -1.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5062   -3.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0370   -3.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0404   -2.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5712   -2.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5746   -1.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8946   -2.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8912   -0.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3604   -1.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3570   -0.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8262   -0.3711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2987   -1.7947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8228    0.7499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2920    0.4473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2886    1.5684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7578    1.2658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7544    2.3868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
M  END
$$$$
Mol_1456
     RDKit          2D

 27 28  0  0  0  0  0  0  0  0999 V2000
   -4.8009   -3.7504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2987   -2.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7731   -2.0591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3222   -1.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8201    0.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8436    1.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3414    2.7718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3693    1.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3928    2.2191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0815    1.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5794    0.5278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0537    0.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5515   -1.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0259   -1.4399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5237   -2.8549    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1087   -3.3527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9387   -2.3570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0215   -4.2699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0302    1.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5045    1.1137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    2.8050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5088    3.9437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0580    3.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5602    4.4963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8714   -0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3971   -0.6109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8479   -1.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
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 15 17  2  0
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 12 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
  8 25  1  0
 25 26  1  0
 25 27  2  0
 27  4  1  0
 23 10  1  0
M  CHG  1  18  -1
M  END
$$$$
Mol_1457
     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
  -10.1027    0.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7730   -0.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5070    0.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1773   -0.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9112    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5816   -0.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3155    0.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9858   -0.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2803    0.6911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6099   -0.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6735   -1.5018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8760    0.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8124    2.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0785    3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4082    2.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4717    0.9113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2057    0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2692   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5989   -2.0860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0032   -2.1961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -3.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 17 12  1  0
M  END
$$$$
Mol_1458
     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
    7.7443   -0.0279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2447    0.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4663   -1.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -1.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2454    0.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1178    1.0603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0754   -0.8676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6775   -0.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4925   -1.2624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8904   -0.7185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1183    0.7640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5162    1.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8324   -3.1398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0238    1.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5234    1.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
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 17 18  1  0
 17 19  1  0
 19 20  1  0
  5 21  1  0
 21 22  2  0
 22  2  1  0
 19 10  1  0
M  END
$$$$
Mol_1459
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.1527   -3.4105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6724   -1.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7984   -1.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2787   -0.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7495    0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6911    0.6099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2108   -0.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7400   -1.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2882    0.8526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1826    0.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1731    1.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6928    3.1055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6439    1.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6344    2.5164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1242   -0.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1337   -1.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6140   -2.5786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6629   -0.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  4 11  1  0
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 18 20  2  0
 20  2  1  0
 10  5  1  0
 20 12  1  0
M  END
$$$$
Mol_1460
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.4991   -3.2075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9361   -1.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5495   -1.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125   -0.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5980   -0.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1611    1.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6466    1.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5692    0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0548    0.6110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0062   -0.9869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5206   -1.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1899    0.9634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2956    0.7559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2182    1.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7038    1.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6263    2.9138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2668    0.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7523    0.1331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3442   -0.8420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9072   -2.2324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8587   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
  4 12  1  0
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 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  2  0
 21  2  1  0
 11  5  1  0
 21 13  1  0
M  END
$$$$
Mol_1461
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -5.6914    1.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1129   -0.2793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6251   -0.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0465   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9558   -3.0472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5587   -2.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6495   -0.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8383   -1.0431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7476    0.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2354   -0.0411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8139   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3017   -1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2110   -0.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6324    0.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1447    1.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1691    1.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3187    1.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8973    3.1087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2280    0.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7158    0.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2943    2.1067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
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 12 13  2  0
 13 14  1  0
 14 15  2  0
  9 16  2  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 20  3  1  0
 19  7  1  0
 15 10  1  0
M  END
$$$$
Mol_1462
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -3.0437    4.2743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5257    2.8666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4858    1.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9639    1.9693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9677    0.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9278   -0.8461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4059   -0.5909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3660   -1.7434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8479   -3.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8080   -4.3036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3698   -3.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4097   -2.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4896    0.0512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5295    1.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9486    0.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9087    2.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3868    1.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9049    0.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9448   -0.7144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4629   -2.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5028   -3.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0247   -3.0194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9410   -2.3773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4591   -3.7850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9011   -1.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792   -1.4800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3830    0.1829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3431    1.3354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3907    3.5087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875    3.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6055    5.1716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0476    2.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
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  5 13  1  0
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 23 25  1  0
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 16 29  2  0
 29 30  1  0
 30 31  1  0
 30 32  2  0
 32  2  1  0
 12  6  1  0
 32 14  1  0
 27 18  1  0
M  END
$$$$
Mol_1463
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.3568   -3.2007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8261   -1.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6542   -1.5557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1849   -0.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6652    0.0892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1959    1.4922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6763    1.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6260    0.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0953   -0.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6149   -1.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2352    1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2452    0.7664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1949    1.9275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6752    1.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6249    2.8466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2059    0.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2562   -0.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7869   -2.2815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7758   -0.6366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  4 11  1  0
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 16 17  1  0
 17 18  1  0
 17 19  2  0
 19  2  1  0
 10  5  1  0
 19 12  1  0
M  END
$$$$
Mol_1464
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
    4.3702    0.1548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9839   -0.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7946    0.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4083   -0.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0570   -1.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4385   -1.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0114   -0.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4697    0.0860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6600    1.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1646    1.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8700    0.7079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  7 11  1  0
 10  4  1  0
 11  4  1  0
M  END
$$$$
Mol_1465
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.3568   -3.2007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8261   -1.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6542   -1.5557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1849   -0.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6652    0.0892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1959    1.4922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6763    1.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6260    0.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0953   -0.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6149   -1.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2352    1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2452    0.7664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1949    1.9275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6752    1.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6249    2.8466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2059    0.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2562   -0.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7869   -2.2815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7758   -0.6366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
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  4 11  1  0
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 16 17  1  0
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 19  2  1  0
 10  5  1  0
 19 12  1  0
M  END
$$$$
Mol_1466
     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.8391   -3.6357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1719   -2.9475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2422   -1.4491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9798   -0.6390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0502    0.8593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7877    1.6694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5450    0.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8075    1.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1403    1.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4027    1.9132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7355    1.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8058   -0.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1386   -0.9617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5434   -1.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6138   -2.5819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2106   -0.3953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3830    1.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4533    3.0459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8375   -1.5710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
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 14 15  1  0
 14 16  2  0
  5 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21  3  1  0
 16  9  1  0
M  END
$$$$
Mol_1467
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -0.5488   -1.5729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6276   -0.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4099    0.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9843    1.3953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1607    0.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9429   -1.0194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1193   -1.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9015   -3.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0779   -4.3649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5135   -1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6899   -2.3273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.1254    0.6409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3685    3.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0257    3.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2435    5.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9329    6.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3271    5.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5449    4.1873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9804    1.2191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1982   -0.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5923   -0.8185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -2.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2043   -2.8561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6337   -3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8515   -4.7174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2396   -2.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0632   -3.6105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0218   -1.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
  3 16  2  0
 16 17  1  0
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 18 19  1  0
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 16 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  2  0
 32  2  1  0
 14  5  1  0
 22 17  1  0
 32 24  1  0
M  END
$$$$
Mol_1468
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -6.2797    1.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7394   -0.1890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2573   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7170   -1.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6586   -2.9876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2350   -2.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2933   -0.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1887   -1.1156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1303    0.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6123   -0.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1527   -1.5789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6347   -1.8106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5763   -0.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0583   -0.8746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0359    0.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9775    1.9239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5539    0.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5899    1.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8921    1.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4325    3.0822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8337    0.5153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3157    0.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8561    2.1462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  2  0
  9 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 22  3  1  0
 21  7  1  0
 17 10  1  0
M  END
$$$$
Mol_1469
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.5981   -1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  2  1  0
M  END
$$$$
Mol_1470
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -5.7343    0.7904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6192   -0.2128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9304   -1.6802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1928    0.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0776   -0.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6512   -0.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4639   -1.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1527   -2.7584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8903   -0.8269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0054   -1.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4318   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7431    0.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6279    1.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2015    0.6405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0864    1.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3976    3.1110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3400    1.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4551    2.1828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
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 15 17  1  0
 17 18  2  0
 17  6  1  0
 14  9  1  0
M  END
$$$$
Mol_1471
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.3524   -3.1031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8604   -1.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8416   -0.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3148   -0.8340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8067   -2.2510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2960    0.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8040    1.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7852    2.8522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3308    2.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3496    0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1235    1.1480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1047    0.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5779    0.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0699    1.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5430    1.9953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5242    0.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0323   -0.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5591   -0.8387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6128   -1.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5940   -2.5382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 12 19  1  0
 19 20  1  0
 19  2  1  0
 10  3  1  0
 18 13  1  0
M  END
$$$$
Mol_1472
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -3.2143   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4643   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2143   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4643    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2143    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9643    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2143   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2857    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0357   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5357   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2857    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5357    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0357    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9643   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
  7 14  1  0
 14  2  1  0
 13  8  1  0
M  END
$$$$
Mol_1473
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.7949   -2.8132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3091   -1.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2952   -0.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8094    1.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7956    2.2857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3375    1.4443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3514    0.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1205    0.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1067   -0.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5786   -0.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5647   -1.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0366   -1.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5224    0.3391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5363    1.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0644    1.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8372   -1.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  7 16  2  0
 16  2  1  0
 15 10  1  0
M  END
$$$$
Mol_1474
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -7.3181    3.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9843    2.3017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0838    1.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5509    1.8596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2171    0.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7837   -0.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4499   -1.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5495   -2.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0166   -1.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5317   -3.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0319   -3.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4102   -1.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7712   -1.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9978   -2.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8634   -3.6398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3589   -1.5153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4933   -0.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8543    0.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9888    2.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3498    2.7337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7622    2.9666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4011    2.3360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667    0.8420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0401    1.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9057    0.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6791    1.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6820    0.4443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8164   -1.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1265   -0.3192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28  9  1  0
 28 12  1  0
 25 13  1  0
 23 17  1  0
M  END
$$$$
Mol_1475
     RDKit          2D

 61 64  0  0  0  0  0  0  0  0999 V2000
    3.2024   -1.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3934   -3.1009    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    1.5845   -4.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6566   -3.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1303   -2.2919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2019   -2.9814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1187   -4.0717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4651   -2.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3961   -0.6740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6593    0.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5903    1.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2581    2.3228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0051    1.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3372    2.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6004    1.3944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9325    2.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1957    1.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1267   -0.2235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3899   -1.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7221   -0.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9162   -2.6504    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   10.4147   -2.7194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4178   -2.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8473   -4.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7910    1.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5279    1.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0015    3.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7384    4.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8073    5.8896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4062    3.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1430    4.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2120    6.0091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0512    6.8180    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -0.2422    8.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8601    5.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3143    7.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1891    3.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7845    3.9407    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -4.4739    5.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0950    2.6085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1166    3.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9914   -0.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.5867   -0.4351    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -7.2762    0.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8973   -1.7672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9189   -1.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0604   -2.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3925   -2.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4615   -4.2408    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -6.9599   -4.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9631   -4.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5305   -5.7393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7972   -2.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8662   -4.3603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6030   -5.1693    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -0.9055   -4.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4120   -6.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3399   -5.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
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 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 22 25  1  0
 20 26  1  0
 26 27  2  0
 16 28  2  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 34 36  1  0
 34 37  1  0
 32 38  2  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 40 42  1  0
 40 43  1  0
 10 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 46 48  1  0
 46 49  1  0
 44 50  1  0
 50 51  1  0
 51 52  1  0
 52 53  1  0
 52 54  1  0
 52 55  1  0
 50 56  1  0
 56 57  1  0
 57 58  1  0
 58 59  1  0
 58 60  1  0
 58 61  1  0
 56  8  1  0
 38 12  1  0
 31 14  2  0
 27 17  1  0
M  END
$$$$
Mol_1476
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -5.9818   -1.9954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5259   -2.3567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4851   -1.2766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9001    0.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8593    1.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2743    2.6864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4035    0.8837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3626    1.9638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7777    3.4053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0932    1.6025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5082    0.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9640   -0.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3791   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8349   -2.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8757   -0.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4607    0.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0049    0.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4674   -0.9191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9885   -0.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0293   -1.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 11 18  1  0
 18 19  1  0
 19 20  2  0
 20  3  1  0
 19  7  1  0
 17 12  1  0
M  END
$$$$
Mol_1477
     RDKit          2D

 34 36  0  0  0  0  0  0  0  0999 V2000
   -2.3154   -6.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8947   -5.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9861   -4.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7926   -5.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1796   -3.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0775   -2.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4221   -2.9491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9174   -1.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3011   -0.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4946   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8782   -1.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0717   -2.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4553   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8816   -3.6797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4912    0.5340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2977    1.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4878    2.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8714    3.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0615    4.9977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4452    5.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8680    5.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0859    0.8633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2761   -0.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5090   -1.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2038    0.4902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2090    3.9210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0407    4.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8987    2.4593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6197    0.9855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7566    0.0070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  6  7  1  0
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  8  9  2  0
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 10 11  1  0
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  9 15  1  0
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 16 17  1  0
 17 18  1  0
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 16 22  1  0
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 25 26  1  0
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 27 28  1  0
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 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 33 34  2  0
 24  6  2  0
 33 26  1  0
 23  8  1  0
M  END
$$$$
Mol_1478
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -5.3855    1.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5344    0.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1785   -1.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0392    0.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1880   -0.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6928   -0.7453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1583   -1.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6535   -1.8609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5047   -3.0961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2976   -0.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7929   -0.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4370    0.9679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5859    2.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0906    2.0836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4465    0.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0487    0.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8998    1.8445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 16  6  1  0
 15 10  1  0
M  END
$$$$
Mol_1479
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.7949   -2.8132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3091   -1.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2952   -0.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8094    1.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7956    2.2857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3375    1.4443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3514    0.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1205    0.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1067   -0.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5786   -0.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5647   -1.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0366   -1.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8372   -1.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
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 10 11  2  0
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  7 16  2  0
 16  2  1  0
 15 10  1  0
M  END
$$$$
Mol_1480
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -6.0840    0.9395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0960   -0.1892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6246    0.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1292    2.6507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 17 18  2  0
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 14 21  1  0
  9  3  1  0
 20 15  1  0
 21  7  1  0
M  END
$$$$
Mol_1481
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.2889    0.6576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0173   -0.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4252   -1.3443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0357    0.3934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6274    1.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1419    1.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11  4  1  0
M  END
$$$$
Mol_1482
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.6241   -3.1868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1254   -1.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.7455    1.0203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1013   -0.6329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
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 22  2  1  0
 12  5  1  0
 22 14  1  0
M  END
$$$$
Mol_1483
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -3.8542   -3.7556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2376   -2.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.7410    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8651    1.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4992   -4.5244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4859   -4.8237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7451   -2.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  9 10  2  0
  4 11  1  0
 11 12  1  0
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 31  2  1  0
 10  5  1  0
 31 12  1  0
 25 16  1  0
M  END
$$$$
Mol_1484
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.6239   -2.3012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5633   -1.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.4325   -0.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4931   -2.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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 31  2  1  0
 10  5  1  0
 31 12  1  0
 27 18  1  0
M  END
$$$$
Mol_1485
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 28 29  1  0
 28 30  1  0
 30 31  1  0
 30  4  1  0
 25  8  1  0
 24 12  1  0
 22 17  1  0
M  END
$$$$
Mol_1486
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.7787   -3.6860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0808   -2.9413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0870   -1.4413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7911   -0.6860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7973    0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5014    1.5694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8008    0.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0967    1.5801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3988    0.8355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6947    1.5908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9969    0.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0031   -0.6538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3052   -1.3984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7071   -1.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4050   -0.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0994    1.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1056    3.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3953    0.8033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6975    1.5479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3891   -0.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6851   -1.4521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
  5 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20  3  1  0
 15  9  1  0
M  END
$$$$
Mol_1487
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -5.1412    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3912   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1412   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8912    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0095    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5829    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5829   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0095   -1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7161   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7161   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0152   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3142   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6132   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6132    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3142    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0152    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7161    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7161    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
  8  4  1  0
 16 11  1  0
 17  6  1  0
M  END
$$$$
Mol_1488
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -6.8281    0.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8439   -0.6324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3715   -0.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    1.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4109    1.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9226    2.7770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4267    0.2267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0458    0.5130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5340    1.9314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0300   -0.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5024   -0.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4866   -1.4645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9590   -1.1782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4472    0.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9196    0.5265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4630    1.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9906    1.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -2.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9307   -2.3236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9149   -1.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3873   -1.4780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 10 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21  3  1  0
 20  7  1  0
 17 11  1  0
M  END
$$$$
Mol_1489
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  2  5  2  0
M  END
$$$$
Mol_1490
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -5.9818   -1.9954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5259   -2.3567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4851   -1.2766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9001    0.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8593    1.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2743    2.6864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4035    0.8837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9885   -0.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0293   -1.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4674   -0.9191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5082    0.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9640   -0.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3791   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8349   -2.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8757   -0.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4607    0.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0049    0.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0932    1.6025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3626    1.9638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7777    3.4053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 11 18  1  0
 18 19  1  0
 19 20  2  0
  9  3  1  0
 17 12  1  0
 19  7  1  0
M  END
$$$$
Mol_1491
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -3.6907   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1907   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3090   -1.2135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1175   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4166   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7156   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7156    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4166    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1175    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3090    1.2135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  2  1  0
  9  4  1  0
M  END
$$$$
Mol_1492
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
    8.2507    2.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8078    1.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4415    0.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9986   -0.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6323   -1.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1894   -1.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1129   -0.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6700   -1.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4065   -0.2843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8494   -0.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9259    0.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3688   -0.0599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4453    0.9847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8882    0.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2545   -0.8799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9647    1.6192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
M  END
$$$$
Mol_1493
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -11.7586    0.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4363    0.7266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1619   -0.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2098   -1.5638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8395    0.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5651   -0.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2428    0.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9684   -0.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6460    0.4776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3716   -0.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0493    0.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2251   -0.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5475    0.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8219   -0.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1442    0.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4186   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7410    0.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0154   -0.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3377    0.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6121   -0.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3856    1.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
M  END
$$$$
Mol_1494
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
  -12.2170   -0.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9049    0.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6193   -0.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3072    0.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0217   -0.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7096    0.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4240   -0.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1119    0.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8263   -0.4178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5142    0.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7714   -0.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0834    0.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3690   -0.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6811    0.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -0.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5644   -0.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8764    0.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1620   -0.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9029    1.6253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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  9 10  1  0
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M  END
$$$$
Mol_1495
     RDKit          2D

 46 51  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1496
     RDKit          2D

 57 63  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1497
     RDKit          2D

  3  1  0  0  0  0  0  0  0  0999 V2000
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    0.7500   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
M  END
$$$$
Mol_1498
     RDKit          2D

 47 52  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1499
     RDKit          2D

 58 64  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1500
     RDKit          2D

 57 63  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1501
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1502
     RDKit          2D

  6  6  0  0  0  0  0  0  0  0999 V2000
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  6  1  1  0
M  END
$$$$
Mol_1503
     RDKit          2D

 46 51  0  0  0  0  0  0  0  0999 V2000
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 34 27  1  0
M  END
$$$$
Mol_1504
     RDKit          2D

 19 22  0  0  0  0  0  0  0  0999 V2000
    4.6195   -1.3684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5236   -0.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3532    0.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5149    1.9170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3325   -0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3303    1.1197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8593    2.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6095    2.8480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6073    1.7281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9319   -1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1363    0.3039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
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 13 19  1  0
 18  2  1  0
 17  6  1  0
 19  6  1  0
 19 10  1  0
M  END
$$$$
Mol_1505
     RDKit          2D

 19 22  0  0  0  0  0  0  0  0999 V2000
   -4.5991    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0994    0.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3758    1.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1049    2.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7709    3.0237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3673   -2.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0476   -2.1859    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3233   -0.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
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 19  2  1  0
 16  4  1  0
 16  8  1  0
 17 12  1  0
M  END
$$$$
Mol_1506
     RDKit          2D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -5.6103   -0.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2254    0.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0321    1.7391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0339   -0.6595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6490   -0.0832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9256   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3390    1.2461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0795    0.5699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8905    2.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6951    0.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9274   -0.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
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 10 11  1  0
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 20 21  1  0
 16  5  1  0
 21  6  1  0
 21 10  1  0
 21 14  1  0
M  END
$$$$
Mol_1507
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
    0.6539    2.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8640    1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9728    2.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4021    1.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7226    0.4939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3636   -2.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8355   -2.0525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 12  5  1  0
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M  END
$$$$
Mol_1508
     RDKit          2D

 20 23  0  0  0  0  0  0  0  0999 V2000
    3.3642    1.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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 17  4  1  0
 19  9  1  0
 19 13  1  0
M  END
$$$$
Mol_1509
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
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    1.4727    4.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9196    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
  8 13  1  0
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 17  5  1  0
 25  7  1  0
 21 16  1  0
 25 16  1  0
M  END
$$$$
Mol_1510
     RDKit          2D

 19 22  0  0  0  0  0  0  0  0999 V2000
   -3.7237   -0.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5720   -0.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0944   -1.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0360   -2.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625   -2.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2702   -0.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7687   -1.0596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5795    0.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3872    1.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6965    2.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1980    3.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6097    1.7385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5231   -0.8211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0810    0.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0527   -0.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
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 19  2  1  0
 16  4  1  0
 18  8  1  0
 18 12  1  0
M  END
$$$$
Mol_1511
     RDKit          2D

 19 22  0  0  0  0  0  0  0  0999 V2000
   -4.5991    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0994    0.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3758    1.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8761    1.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1049    2.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4873    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7709    3.0237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3606    0.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5352   -0.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5382   -1.6799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3673   -2.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0476   -2.1859    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0899   -1.5566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0620   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    0.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236   -0.9023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5473   -2.2162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3233   -0.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
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 16  4  1  0
 16  8  1  0
 17 12  1  0
M  END
$$$$
Mol_1512
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
    1.1072   -2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3121   -1.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8521   -1.8774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1675   -0.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5953    0.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0942   -0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8004   -1.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1898   -2.0021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9107    1.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3384    1.9756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7984    2.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3707    2.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0553    0.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9430    1.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6276    0.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6777    1.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8222    1.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4899    2.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7426    0.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3906   -1.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4773   -2.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0028   -3.0087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.7069   -0.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.8748   -1.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.4978    1.7898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0947    1.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0311   -1.9988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
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  6 10  1  0
 10 11  1  0
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 33 34  1  0
 21 35  1  0
 16  2  1  0
 33 20  1  0
 35  2  1  0
 14  5  1  0
 33 25  1  0
M  END
$$$$
Mol_1513
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
    6.0390    1.7137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9005    0.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3954    0.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2811   -1.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7279   -1.6266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2149   -2.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7681   -1.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3874   -0.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3212   -1.4942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9406   -0.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0436   -1.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4557   -1.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4281   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  2  4  1  0
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  8  9  1  1
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 30 10  1  0
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M  END
$$$$
Mol_1514
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
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    5.8126    1.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 20  2  0
 20 21  1  0
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 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 19 32  1  0
 15  2  1  0
 30 18  1  0
 32  2  1  0
 13  5  1  0
 30 22  1  0
M  END
$$$$
Mol_1515
     RDKit          2D

 19 22  0  0  0  0  0  0  0  0999 V2000
    3.2733    2.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6764    0.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2661    1.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6848    1.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0626    1.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2650    2.2421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2380   -0.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6158   -0.7373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0355   -1.0411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2109   -2.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0085   -3.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3693   -2.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5447   -1.3449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9225   -0.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0979    0.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8955    1.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5177    1.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3423   -0.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1003    0.3574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
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 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19  2  1  0
 17  4  1  0
 18  9  1  0
 18 13  1  0
M  END
$$$$
Mol_1516
     RDKit          2D

 21 25  0  0  0  0  0  0  0  0999 V2000
   -3.4516   -1.6319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2175   -0.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5810    1.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7526    1.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1253    0.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4011   -0.5611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7808    0.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7811    0.9880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5940   -0.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6657    1.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4041   -1.2810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9222   -2.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5111   -3.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7665   -2.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9486   -0.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1019    0.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3001    1.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9771    1.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2636    2.6773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4765    1.3160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
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 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 15  2  1  0
 17  4  1  0
 15  6  1  0
 16  9  1  0
 21 11  1  0
M  END
$$$$
Mol_1517
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.7696    4.3005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0184    1.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8771    0.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6673    0.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8973    0.9049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9438   -1.2071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0350   -2.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5718   -2.7304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7613   -2.0426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3403   -0.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8945    0.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2977    0.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8927   -0.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2166   -0.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1188    1.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3213    0.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8402   -0.6774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7068   -1.9018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1674    1.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 11 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 15 19  1  0
 19  2  1  0
 14  6  1  0
 17 10  1  0
M  END
$$$$
Mol_1518
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -0.3934   -2.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7587   -2.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9794   -2.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3447   -2.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4893   -0.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8546   -0.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3500   -0.0734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2293   -1.6427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9992    1.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3645    1.9240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7785    2.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4132    1.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2686    0.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0479    0.9319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9033   -0.5611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6826    0.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6826   -0.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9033    0.5611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7587    2.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3934    2.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9794    2.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3447    2.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4893    0.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8546    0.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3500    0.0734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2293    1.6427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9992   -1.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3645   -1.9240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7785   -2.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4132   -1.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2686   -0.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0479   -0.9319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
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 11 12  1  0
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 13 15  1  0
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 29 30  1  0
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 31 32  1  0
 15  2  1  0
 31 18  1  0
 13  5  1  0
 31 23  1  0
M  END
$$$$
Mol_1519
     RDKit          2D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -4.5652   -2.4681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3030   -1.6576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9700   -2.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7078   -1.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6252   -2.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8874   -1.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2203   -2.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4826   -1.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4118    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788    0.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0081    2.3945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8166    0.0858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4837    0.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4129    2.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9201    2.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1823    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5152    2.8374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1115    0.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3737   -0.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7786   -0.0368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
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 10 11  2  0
 10 12  1  0
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 13 14  1  0
 14 15  1  0
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 16 18  1  0
 18 19  1  0
 18 20  1  0
 19  2  1  0
 20  4  1  0
 12  6  1  0
 20 13  1  0
M  END
$$$$
Mol_1520
     RDKit          2D

 19 22  0  0  0  0  0  0  0  0999 V2000
   -3.6179    1.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6907   -0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6745   -0.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9596   -1.8912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3544   -2.6147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6380   -1.8386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9519   -2.5621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6076   -0.3389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8912    0.4373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8608    1.9370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5468    2.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2632    1.8844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1865    1.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1184    0.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8131    0.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5875   -0.4441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9900   -0.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2936    0.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0062    0.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
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 10 11  1  0
 11 12  1  0
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 15 17  1  0
 17 18  1  0
 18 19  1  0
 19  2  1  0
 17  4  1  0
 18  8  1  0
 18 12  1  0
M  END
$$$$
Mol_1521
     RDKit          2D

 21 25  0  0  0  0  0  0  0  0999 V2000
    4.4456    1.5643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7826    0.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7662   -0.3372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5033   -0.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7144   -0.5765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9465   -2.6381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5146   -0.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9172   -1.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3326   -2.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5077   -1.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0063   -1.3546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1814   -0.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6578    0.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1591    0.9198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7565   -0.5252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9841   -0.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3867    1.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7923    1.9560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0382    1.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2729    0.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
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 17 19  1  0
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 20 21  1  0
 21  2  1  0
 16  7  1  0
 20  7  1  0
 16 10  1  0
 15 11  1  0
M  END
$$$$
Mol_1522
     RDKit          2D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -3.1457   -0.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7067    0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3536    1.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0855    2.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7839    1.5659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2203    0.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7721    1.0531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0450   -0.0508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0309   -1.6487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5013   -1.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2309   -2.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2559   -2.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9044   -1.4671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3435   -1.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6966    0.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6106    1.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1715    1.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5246    2.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8184   -0.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6207   -0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
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  8  9  1  0
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 17 18  1  0
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 20  2  1  0
 17  4  1  0
 19 10  1  0
 19 13  1  0
M  END
$$$$
Mol_1523
     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -5.9551    0.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5027    0.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1011    2.0331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4519   -0.4825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9994   -0.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5979    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1454    1.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1196    1.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7086    3.5325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6800    0.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8102    1.3916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4658    0.0711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5038   -0.8033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9486   -1.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3502   -2.6233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1530   -3.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0070   -1.4988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4086   -0.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3578    1.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9054    0.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6773    0.8412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  8 10  1  0
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 20 21  1  0
 21 22  1  0
 22 23  1  0
 14  5  1  0
 22  7  1  0
 18 13  1  0
 22 13  1  0
M  END
$$$$
Mol_1524
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -3.7137    1.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7263    0.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2547    0.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7705    1.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2421    1.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7263    0.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1978   -0.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7388   -0.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2672   -0.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7514   -2.0021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2360   -3.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2230   -2.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2043   -0.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1918   -1.4210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6634   -1.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1475    0.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6191    0.5799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1601    1.4184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6885    1.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7011    2.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
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  9 13  1  0
 13 14  1  0
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 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
  9  3  1  0
 19 13  2  0
 20  4  1  0
M  END
$$$$
Mol_1525
     RDKit          2D

 19 22  0  0  0  0  0  0  0  0999 V2000
    3.2733    2.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6764    0.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2661    1.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6848    1.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0626    1.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2650    2.2421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2380   -0.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6158   -0.7373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0355   -1.0411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2109   -2.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0085   -3.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3693   -2.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5447   -1.3449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9225   -0.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0979    0.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8955    1.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5177    1.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3423   -0.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1003    0.3574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
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 19  2  1  0
 17  4  1  0
 18  9  1  0
 18 13  1  0
M  END
$$$$
Mol_1526
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
    0.9658    2.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1415    1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2733    2.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917    1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9783    0.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3967   -0.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8965   -0.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6310    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0312    1.8762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6833   -1.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1017   -2.1037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5515   -2.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0730    2.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4536    0.6159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9005    0.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3954    0.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0390    1.7137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.7279   -1.6266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3212   -1.4942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1883    2.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 31 32  1  0
 20 33  1  0
 16  2  1  0
 31 19  1  0
 33  2  1  0
 14  5  1  0
 31 23  1  0
M  END
$$$$
Mol_1527
     RDKit          2D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -3.5702   -0.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0855   -0.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5283   -2.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4411   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3686   -1.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8533   -1.5641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8114    0.0424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2961   -0.1714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    1.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1816    2.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6969    2.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2305    1.6488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9686    1.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0855   -0.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0855   -0.7089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3267    0.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1580    0.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
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 10 11  1  0
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 18 20  1  0
 20 21  1  0
 21  2  1  0
 18  4  1  0
 20  8  1  0
 20 13  1  0
M  CHG  2  13   1  14  -1
M  END
$$$$
Mol_1528
     RDKit          2D

 20 23  0  0  0  0  0  0  0  0999 V2000
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   -0.1634   -0.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7014   -2.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5331   -1.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0300   -1.1057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8617    0.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3586    0.0465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1964    1.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6995    1.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8678    0.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15  4  1  0
 12  6  2  0
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M  END
$$$$
Mol_1529
     RDKit          2D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -4.8966   -0.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  6  1  0
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M  END
$$$$
Mol_1530
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
    0.6539   -2.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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M  END
$$$$
Mol_1531
     RDKit          2D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -3.8944   -0.6403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3952   -0.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2526   -2.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5874   -1.1614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4331    0.2908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9295    0.1866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1173    2.9869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2172   -0.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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 17  4  1  0
 19  8  1  0
 19 13  1  0
M  END
$$$$
Mol_1532
     RDKit          2D

 21 25  0  0  0  0  0  0  0  0999 V2000
    5.1423    0.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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 15  6  1  0
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 15  9  1  0
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M  END
$$$$
Mol_1533
     RDKit          2D

 20 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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  4  5  2  0
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 20  2  1  0
 14  6  1  0
 19  6  1  0
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M  END
$$$$
Mol_1534
     RDKit          2D

 18 21  0  0  0  0  0  0  0  0999 V2000
    3.7551    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1535
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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 34  2  1  0
 14  5  1  0
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M  END
$$$$
Mol_1536
     RDKit          2D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -5.2293    0.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
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 20  2  1  0
 15  6  1  0
 19  6  1  0
 15  9  1  0
M  END
$$$$
Mol_1537
     RDKit          2D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -1.4093   -0.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0632   -0.1899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9130    0.3437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0
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  4  5  1  0
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 20  2  1  0
  9  4  1  0
 14  4  1  0
 18  5  1  0
M  CHG  2   9   1  10  -1
M  END
$$$$
Mol_1538
     RDKit          2D

 19 22  0  0  0  0  0  0  0  0999 V2000
   -2.2458    1.3303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7796    0.6837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1650    0.2472    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5897    2.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3168    1.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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 19  2  1  0
 16  4  1  0
 18  5  1  0
 18  9  1  0
M  END
$$$$
Mol_1539
     RDKit          2D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -4.9523   -0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4796   -0.3483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7081   -1.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1106   -1.5877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6419   -2.3017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
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 21  2  1  0
 12  6  1  0
 16  6  1  0
 17 10  1  0
M  END
$$$$
Mol_1540
     RDKit          2D

 19 22  0  0  0  0  0  0  0  0999 V2000
   -1.3115   -0.4464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1953   -0.2940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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  4  5  1  0
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 14 18  1  0
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 18  2  1  0
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 13  4  1  0
 16  5  1  0
M  END
$$$$
Mol_1541
     RDKit          2D

 19 22  0  0  0  0  0  0  0  0999 V2000
   -2.2458    1.3303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3168    1.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  4  5  1  0
  5  6  2  0
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 16  4  1  0
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M  END
$$$$
Mol_1542
     RDKit          2D

 18 21  0  0  0  0  0  0  0  0999 V2000
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   -3.1967    0.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1237    2.3269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6716    1.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4861    0.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1823    1.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  8  9  1  0
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 10 11  2  0
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 13 15  1  0
 15 16  1  0
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 14  2  1  0
 15  4  1  0
 18  5  1  0
 15  9  1  0
M  END
$$$$
Mol_1543
     RDKit          2D

 18 21  0  0  0  0  0  0  0  0999 V2000
   -4.1847   -0.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1052   -0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5713   -1.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5328   -1.9888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9636   -2.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8011   -0.8475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2976   -0.9506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1351    0.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4762    1.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9797    1.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1422    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0132    1.9506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3472    0.8093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6882   -0.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1918   -0.6413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 13  2  1  0
 18  4  1  0
 11  6  1  0
 18 12  1  0
M  END
$$$$
Mol_1544
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
    1.0389   -2.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2033   -1.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426   -2.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7572   -1.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0325   -0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4472    0.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9471    0.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6928   -1.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0971   -1.8978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7225    1.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1371    2.0825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5832    2.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1686    2.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8932    0.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7539    1.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4786    0.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4974    1.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0014    1.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7055    2.4867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8892   -0.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0054   -2.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3971   -0.7253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.3409   -0.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9741   -1.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2386    1.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6885    1.4922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1805    2.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7307    1.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3390    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2809    1.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1212   -2.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  8  9  1  0
  6 10  1  0
 10 11  1  0
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 31 32  1  0
 32 33  1  0
 21 34  1  0
 16  2  1  0
 32 20  1  0
 34  2  1  0
 14  5  1  0
 32 24  1  0
M  END
$$$$
Mol_1545
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
    1.1279    2.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3515    1.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4510    2.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8844    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2182    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6515    0.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1497    0.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8380    1.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9853   -1.4545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4187   -1.8966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8857   -2.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4524   -2.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1186   -0.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0190   -1.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6852   -0.1281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6852   -0.1281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3515    1.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1279    2.8175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4510    2.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8844    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2182    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6515    0.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1497    0.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8380    1.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9853   -1.4545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4187   -1.8966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4524   -2.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1186   -0.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0190   -1.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
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 27 28  1  0
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 29 30  1  0
 30 31  1  0
 31 32  1  0
 19 33  1  0
 15  2  1  0
 31 18  1  0
 33  2  1  0
 13  5  1  0
 31 23  1  0
M  END
$$$$
Mol_1546
     RDKit          2D

 18 21  0  0  0  0  0  0  0  0999 V2000
    3.7551    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5444    0.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0946    1.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0144    2.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5142    2.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2442    0.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7441    0.8810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4744   -0.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2045   -1.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4347   -2.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0652   -2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7952   -1.6479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2950   -1.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250   -0.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2552    0.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7554    0.9499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0254   -0.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1087    0.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
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 13 14  1  0
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 15 16  2  0
 16 17  1  0
 17 18  1  0
 18  2  1  0
 16  4  1  0
 17  8  1  0
 17 12  1  0
M  END
$$$$
Mol_1547
     RDKit          2D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -5.0261   -0.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8395    0.0677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5705   -0.4887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2273   -1.1692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5535    0.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0726   -1.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2960   -2.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1915   -2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2156   -1.4302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2465   -2.9299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4989   -0.6536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4680    0.8461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1538    1.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8705    0.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9014   -0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8620    2.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0705    3.1811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5672    2.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4420    1.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5182    0.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
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 17 19  1  0
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 20 21  1  0
 21  2  1  0
 15  6  1  0
 20  6  1  0
 16 10  1  0
M  CHG  2  10   1  11  -1
M  END
$$$$
Mol_1548
     RDKit          2D

 19 22  0  0  0  0  0  0  0  0999 V2000
   -1.3115    0.4464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8151   -0.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0935   -0.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7229    0.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2347   -1.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2189   -2.5426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6913   -2.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1795   -0.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1953    0.2940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6835    1.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6993    2.8443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    2.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2377   -1.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0180   -0.9035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6944   -0.8514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
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 16 17  1  0
 17 18  1  0
 18 19  1  0
 18  2  1  0
  9  4  1  0
 13  4  1  0
 17  5  1  0
M  END
$$$$
Mol_1549
     RDKit          2D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -4.3412    1.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6256    0.0881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4703   -0.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1191   -1.9530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2772   -0.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6818   -1.5261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0308    0.4799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3738    1.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0404    0.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7843    1.9595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3764    0.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4559    1.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0878    0.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3043    0.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7549   -1.3861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1274   -0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2772   -0.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4354   -0.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1889    1.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
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 17 18  1  0
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 19 20  1  0
 10  2  1  0
 20 11  1  0
 17  4  1  0
 17  9  1  0
M  END
$$$$
Mol_1550
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.6539   -2.2419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6195   -0.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3036   -0.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0221   -0.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7062   -0.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -0.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1088   -0.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1727   -0.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4886   -0.2008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0860   -0.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3675   -1.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6834   -0.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7177    1.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0336    1.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3151    1.1202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2807   -0.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9649   -1.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6963   -0.8755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6056    0.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7520    1.5509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9010    0.0373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2169   -0.6827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4984    0.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4640    1.5965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1481    2.3165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8666    1.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
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 13 14  2  0
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  2 22  1  0
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 26 27  1  0
 18 13  1  0
 27 22  1  0
 21 16  1  0
M  END
$$$$
Mol_1551
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.3208    1.6385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3698    0.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9656   -0.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5125   -1.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1084   -2.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6553   -3.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6064   -1.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8467   -2.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8956   -1.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3487   -1.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3976   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9934    0.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0424    1.9218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4954    1.5495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8996    0.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8507   -0.9673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3983    0.0430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9204    1.4492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7444    2.3803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8228    0.9385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3758    2.3328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8728    2.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2450    0.7848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9781   -0.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
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  2 20  1  0
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 22 23  1  0
 23 24  1  0
 16 11  1  0
 24 20  1  0
 19 14  1  0
M  END
$$$$
Mol_1552
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
    5.3766   -1.3233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5014   -0.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0088   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1337    0.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    0.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2340    2.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7266    1.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3441    0.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690   -0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0236   -0.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3572   -1.9088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7812   -1.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7732    0.0623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 10  5  1  0
 13  8  1  0
M  END
$$$$
Mol_1553
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -0.9322   -2.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3510   -1.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8077   -1.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2265    0.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6833    0.6569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1885    1.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7317    1.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6326    2.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7595    1.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3129   -0.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5732   -1.6259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0328    0.2469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2795   -0.5873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6252    0.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8718   -0.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7243    1.5719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  1  6
 10 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  1  1
 14 16  1  0
 10  2  1  0
M  END
$$$$
Mol_1554
     RDKit          2D

 24 23  0  0  0  0  0  0  0  0999 V2000
   12.5599    3.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0902    3.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6154    2.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1458    1.7577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6709    0.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2013    0.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7264   -1.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2568   -1.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7819   -3.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3123   -3.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3175   -2.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8478   -2.5890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6166   -1.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6115   -0.6439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0811   -0.9441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0759    0.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.5404    1.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0100    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0049    1.8234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -12.4693    2.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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  6  7  1  0
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 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
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 22 23  1  0
 22 24  2  0
M  END
$$$$
Mol_1555
     RDKit          2D

 26 31  0  0  0  0  0  0  0  0999 V2000
   -3.5976    1.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0361    1.8185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1234    0.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3336   -1.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2463   -0.0647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8078   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3060   -1.9033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1935   -1.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6184   -0.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8078    0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2463    0.0647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7721    0.6731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3336    1.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0505    1.4578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3060    1.9033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1935    1.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6184    0.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0505   -1.4578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1919   -0.4845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6189    0.9017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
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 18 19  1  0
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 21 22  1  0
 22 23  1  0
  4 24  1  0
 24 25  1  0
 25 26  1  0
  6  1  1  0
 23  7  1  0
 26  3  1  0
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 17 12  1  0
 20 15  1  0
M  END
$$$$
Mol_1556
     RDKit          2D

 23 23  0  0  0  0  0  0  0  0999 V2000
  -12.3901   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0594    0.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7945   -0.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.1989   -0.4348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6034   -0.5487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2727    0.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0078   -0.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6771    0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6113    1.5283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5878   -0.7765    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9185   -0.0842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1834   -0.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5140   -0.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5798    1.3005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9105    1.9928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1754    1.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5061    1.8789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1096   -0.3120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3745   -1.1182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3088   -2.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7790   -1.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
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 13 14  1  0
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 18 20  1  0
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 21 22  1  0
 20 23  2  0
 23 15  1  0
M  END
$$$$
Mol_1557
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -7.7516   -0.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4019    0.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1603   -0.8106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8106   -0.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7024    1.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3527    1.9943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1111    1.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2193   -0.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5690   -0.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1702   -0.9087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5296   -2.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1371    0.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6332    0.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -1.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7836   -1.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6253   -0.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1214   -0.1944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9710    1.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4749    1.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3452    1.5121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
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 12 13  1  0
 13 14  2  0
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 16 17  1  0
 16 18  1  0
 18 19  2  0
 12 20  1  0
  9  4  1  0
 19 13  1  0
 20  7  1  0
M  END
$$$$
Mol_1558
     RDKit          2D

 26 27  0  0  0  0  0  0  0  0999 V2000
   13.0603   -0.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7242    0.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6466    2.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4658   -0.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1297    0.4730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8712   -0.3432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9488   -1.8412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5351    0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2766   -0.4776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9405    0.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6820   -0.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3459    0.0697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0874   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2487   -0.0647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8433   -0.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1018   -1.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4379   -0.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5155    1.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8516    1.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1101    1.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0325   -0.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6964   -1.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4332   -1.0047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3765    0.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5588    1.4191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
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 15 16  1  0
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 17 18  1  0
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 21 22  1  0
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 22 24  1  0
 24 25  1  0
 25 26  1  0
 23 18  1  0
 26 21  1  0
M  END
$$$$
Mol_1559
     RDKit          2D

 30 31  0  0  0  0  0  0  0  0999 V2000
   15.7326   -0.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4049    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3455    2.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1366   -0.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8088    0.5179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5405   -0.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5999   -1.7817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2128    0.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9445   -0.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6168    0.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3484   -0.4886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0207    0.2093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7524   -0.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4247    0.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1564   -0.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1714    0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4397   -0.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7674   -0.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0357   -0.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3634   -0.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6318   -1.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9595   -0.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0189    1.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3466    1.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6149    1.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5555   -0.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2278   -1.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9626   -0.9274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8917    0.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0587    1.4977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
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 17 18  1  0
 18 19  1  0
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 25 26  1  0
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 29 30  1  0
 27 22  1  0
 30 25  1  0
M  END
$$$$
Mol_1560
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -3.7500    1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.7713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15  4  1  0
 15  9  1  0
M  END
$$$$
Mol_1561
     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -0.5202   -3.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3068   -2.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6529   -1.8267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4395   -0.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1395    0.9847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6175    0.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5781    1.8810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1350   -0.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0941    2.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3839    2.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7300    1.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7754    2.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4300    0.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9081    0.5837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8686   -0.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2166   -1.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1712   -2.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 17  2  1  0
M  END
$$$$
Mol_1562
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -3.7158    0.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2175    0.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2797    1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1235    0.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3771    1.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2906    3.0945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0530   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5358   -0.9518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0808   -2.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4735    0.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3275   -2.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3938   -1.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  7 11  1  0
 11 12  1  0
 12  2  1  0
 12  7  1  0
M  END
$$$$
Mol_1563
     RDKit          2D

 28 33  0  0  0  0  0  0  0  0999 V2000
   -4.1668   -3.8194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1966   -2.7288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7670   -1.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3075   -0.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8779    0.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4185    0.8386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8410    2.2230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6541    2.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0006    0.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1388   -0.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5982    0.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0278    1.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4872    1.7953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5170    0.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0874   -0.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6280   -1.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3215   -1.5851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5138   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0166    0.7402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5613   -1.7193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0662   -1.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2803   -0.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9077    1.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3672    1.2362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7968   -0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2964   -0.2365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7935    1.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6012    2.0889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 10 20  1  0
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 21 22  1  0
  5 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 25  3  1  0
 22  6  1  0
 28 24  1  0
 22  9  1  0
 16 11  1  0
 19 14  1  0
M  END
$$$$
Mol_1564
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -7.7516   -0.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4019    0.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1603   -0.8106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8106   -0.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7024    1.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3527    1.9943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1111    1.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3452    1.5121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1371    0.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6332    0.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -1.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7836   -1.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6253   -0.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1214   -0.1944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9710    1.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4749    1.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1702   -0.9087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5296   -2.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2193   -0.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5690   -0.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
  9 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20  4  1  0
 19  7  1  0
 16 10  1  0
M  END
$$$$
Mol_1565
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.1919    2.2489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3258    0.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0990   -0.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7382    0.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5113   -0.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1505    0.2908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9236   -0.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4372    0.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6641   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0249   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2518   -1.0363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6126   -0.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7466    1.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1074    1.7197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3343    0.8567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2003   -0.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8395   -1.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5798   -1.2264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5663   -0.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7966    1.1910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6867    0.1239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9970    0.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0963   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4653   -1.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9761   -1.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
  2 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 17 12  1  0
 25 21  1  0
 20 15  1  0
M  END
$$$$
Mol_1566
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
  -10.4624   -0.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1673    0.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8643   -0.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5692    0.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2663   -0.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9712    0.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6682   -0.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3732    0.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0702   -0.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2249    0.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5278   -0.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8229    0.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8150    1.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1259   -0.3480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4210    0.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7239   -0.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0190    0.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7318   -1.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
M  END
$$$$
Mol_1567
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
   11.7157   -0.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3740    0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2838    2.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1223   -0.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7806    0.4370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5290   -0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6191   -1.8870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1872    0.2809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9356   -0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5938    0.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3422   -0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0004   -0.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2512   -0.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5929   -0.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8446   -1.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1863   -0.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2765    1.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6182    1.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8698    0.9977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7797   -0.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4380   -1.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1759   -1.0480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1289    0.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3217    1.3747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
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 13 14  1  0
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 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 21 16  1  0
 24 19  1  0
M  END
$$$$
Mol_1568
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  1  0
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 11 13  1  0
 13 14  1  0
 14 15  1  0
 15  2  1  0
 13  4  1  0
M  END
$$$$
Mol_1569
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
    5.0662    2.2613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5773    0.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6115   -0.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1347   -0.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1689   -1.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6921   -0.9194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2737   -2.0672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7505   -1.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7163   -2.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1931   -2.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7042   -1.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7385   -0.1319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2496    1.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7264    1.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6922    0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1811   -1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0822    0.9569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9755    2.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  2 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 16 11  1  0
 24 20  1  0
 19 14  1  0
M  END
$$$$
Mol_1570
     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
   10.1887   -0.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7939   -0.8714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5744   -2.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6186    0.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2238   -0.4912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0485    0.4408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2680    1.9247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6537   -0.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4784    0.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0836    0.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0917    1.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4865    0.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6618    1.5813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0566    1.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2320    1.9614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6268    1.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8462   -0.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6709   -1.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2761   -0.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1941   -2.4121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6928   -2.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0958   -0.9040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 19 14  1  0
 22 17  1  0
M  END
$$$$
Mol_1571
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.1654   -0.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8176   -0.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7137    1.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3658    2.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1218    1.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2260    1.9265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3299    3.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4700    1.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2257   -0.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736   -0.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3641   -2.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1133   -2.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8168   -1.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3021   -1.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2262   -2.2786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8633    0.2940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 10  2  1  0
 13  9  1  0
M  END
$$$$
Mol_1572
     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
   -9.7182   -0.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3951    0.4548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1216   -0.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7984    0.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5249   -0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2018    0.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9283   -0.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6051    0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6684   -0.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9915    0.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0412    1.6097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2650   -0.6820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5882    0.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8617   -0.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1848   -0.0615    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4583   -0.8541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2345    1.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
M  END
$$$$
Mol_1573
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.8403   -3.1166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9299   -1.6192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6779   -0.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3364   -1.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0845   -0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2570   -1.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5090   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8505   -1.1539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9400   -2.6512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1024   -0.3276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5067   -0.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4421    0.3178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6158    1.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1698    1.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1740    0.8594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5155    1.5305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6051    3.0279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3532    3.8541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7675    0.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1090    1.3754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  5 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  2  0
 19 20  1  0
 19  3  1  0
 14 10  1  0
M  END
$$$$
Mol_1574
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.6948   -1.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6971   -0.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0111    0.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8272   -1.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3294   -1.5728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6683   -0.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0755   -0.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2201   -1.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3195   -2.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2290   -0.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9754    1.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5682    1.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4147    1.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2723    2.5189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8993    1.7491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2842    1.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16  2  1  0
 13  6  1  0
M  END
$$$$
Mol_1575
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
   10.6617    2.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1642    2.6131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4906    1.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9931    1.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3195   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8220   -0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1484   -1.5813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6510   -1.6681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9774   -3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4799   -3.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3440   -1.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8415   -1.9284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6654   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1629   -0.7617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9868    0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4843    0.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3082    1.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8057    1.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6296    2.8251    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4793    0.2314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
M  END
$$$$
Mol_1576
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.3480   -2.2952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3089   -0.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9907   -0.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7117   -0.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3935   -0.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1145   -0.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2037   -0.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4827   -0.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8009   -0.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0799   -1.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3981   -0.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4372    1.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7553    1.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0344    1.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9953   -0.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6771   -1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4093   -0.9192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3223    0.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4726    1.5070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5879   -0.0121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9060   -0.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1851    0.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1460    1.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8278    2.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5488    1.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
  2 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 16 11  1  0
 25 20  1  0
 19 14  1  0
M  END
$$$$
Mol_1577
     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
   -5.5812   -1.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1325   -0.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1477    1.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6116    0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6268    1.8459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6686    0.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6534   -0.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1895   -0.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1742   -1.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6229   -3.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2897   -1.2627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7384    0.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2023    0.4957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6510    1.9270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6357    3.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1149    2.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1301    1.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6814   -0.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9537   -1.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
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  2  6  1  0
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 19 13  1  0
M  END
$$$$
Mol_1578
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0386    2.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  8  1  0
M  END
$$$$
Mol_1579
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
    2.6027    0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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  8 10  1  0
  7  2  1  0
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M  END
$$$$
Mol_1580
     RDKit          2D

 24 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1581
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.2633   -3.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19  3  1  0
 14 10  1  0
M  END
$$$$
Mol_1582
     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
  -10.1786    0.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1583
     RDKit          2D

 65 72  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1584
     RDKit          2D

 56 62  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1585
     RDKit          2D

 77 84  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1586
     RDKit          2D

 66 72  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1587
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1588
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1589
     RDKit          2D

 56 62  0  0  0  0  0  0  0  0999 V2000
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  -10.5409   -2.4981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 55  2  1  0
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 39 19  1  0
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 39 25  1  0
 36 27  1  0
M  END
$$$$
Mol_1590
     RDKit          2D

 54 59  0  0  0  0  0  0  0  0999 V2000
   10.1040    5.4401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9022    3.9537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0886    3.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 29 20  1  0
 41 32  1  0
 50 43  1  0
M  END
$$$$
Mol_1591
     RDKit          2D

 56 61  0  0  0  0  0  0  0  0999 V2000
    4.7833    6.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0924    4.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5181    4.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9758    3.8810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2849    2.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1682    1.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4773   -0.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7864   -1.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9451    0.2529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9467   -0.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4145   -0.5546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8839   -1.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3501    0.0635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  9  1  6
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 40 31  1  0
 52 43  1  0
M  END
$$$$
Mol_1592
     RDKit          2D

 55 60  0  0  0  0  0  0  0  0999 V2000
   11.6492    5.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2474    4.9137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1593
     RDKit          2D

 67 73  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1594
     RDKit          2D

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M  END
$$$$
Mol_1595
     RDKit          2D

 38 42  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1596
     RDKit          2D

 67 74  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1597
     RDKit          2D

 56 62  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  1
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M  END
$$$$
Mol_1598
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.8629   -3.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2484   -2.4729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6184   -1.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3415    0.1026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5038    2.5388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 17  9  1  0
 18  7  1  0
M  END
$$$$
Mol_1599
     RDKit          2D

 55 61  0  0  0  0  0  0  0  0999 V2000
    9.9665   -2.8790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5439   -3.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1214   -3.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0197   -4.7773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0681   -1.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9393   -0.7111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0472    0.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6247    0.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3002    1.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1343   -0.1507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3955   -1.4561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9257   -1.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1866   -0.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2650    2.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9843    5.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2054    6.1826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6193    5.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6018    5.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4578    3.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8229    4.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6376   -1.4810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  8 10  1  0
 10 11  1  1
 11 12  1  0
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 16 18  1  0
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 55  5  1  0
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 53 19  1  0
 20 13  1  0
 34 25  1  0
 43 36  1  0
 53 45  1  0
M  END
$$$$
Mol_1600
     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -8.0799   -0.4189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9967   -1.4566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5565   -1.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1994    0.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7591    0.8387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6760   -0.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2358    0.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1526   -0.8175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2876   -0.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3708   -1.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0137   -2.8929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5734   -3.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8110   -1.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8941   -2.0545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5371   -3.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1681    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6083    0.8592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6915   -0.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0850    1.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4420    2.9346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6447    1.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5616    2.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9187    3.5531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8787    1.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9618    2.7147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6047    4.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0331   -1.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4733   -2.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 10 13  1  0
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 27 28  2  0
 28  3  1  0
 24  7  2  0
 21  9  1  0
M  END
$$$$
Mol_1601
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -7.9945   -0.4548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9380   -1.5197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4876   -1.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0936    0.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6432    0.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5868   -0.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1364    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0799   -1.0545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3705   -0.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4270   -1.7368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8774   -1.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9339   -2.4192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5399   -3.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2713    0.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7217    0.4755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7782   -0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2149    1.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6088    2.6052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7080    1.8402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1019    3.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7424    1.4577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7989    2.5225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9807   -1.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4311   -2.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  2  0
 14 15  1  0
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 20 22  1  0
 22 23  1  0
 23 24  1  0
  6 25  1  0
 25 26  2  0
 26  3  1  0
 22  7  2  0
 19  9  1  0
M  END
$$$$
Mol_1602
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -3.6852   -0.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2678   -0.8183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2835    2.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4174    0.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8347    0.1637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1182   -1.3093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2835   -0.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5669   -1.8003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5669   -2.7823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 11 12  1  0
 10  3  1  0
M  END
$$$$
Mol_1603
     RDKit          2D

 10 12  0  0  0  0  0  0  0  0999 V2000
    0.4431   -1.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7699   -0.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1463    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3832   -0.8514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1604
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
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 15 16  1  0
M  END
$$$$
Mol_1605
     RDKit          2D

 74 83  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1606
     RDKit          2D

 30 35  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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M  END
$$$$
Mol_1607
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1608
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
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    6.0987   -0.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4080    0.1975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4287    1.6974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6965   -0.5704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0058    0.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2943   -0.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
M  END
$$$$
Mol_1609
     RDKit          2D

 61 69  0  0  0  0  0  0  0  0999 V2000
    1.6884    3.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    2.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4126    1.3457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.0665    1.1174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5256    0.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3827   -2.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9236   -2.9408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8929   -1.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0561   -1.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6891    2.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6671    2.0508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2606    3.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2913    4.6878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3730    5.3832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  1
  6  5  1  1
  6  7  1  0
  7  8  1  6
  7  9  1  0
  9 10  1  1
 11 10  1  6
 11 12  1  0
 12 13  1  0
 13 14  1  1
 14 15  1  0
 13 16  1  0
 16 17  1  6
 16 18  1  0
 18 19  1  1
  9 20  1  0
 20 21  1  6
 21 22  1  0
 20 23  1  0
 23 24  1  0
 24 25  1  6
 26 25  1  6
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  6
 29 31  1  0
 31 32  2  0
 32 33  1  0
 34 33  1  1
 34 35  1  0
 35 36  1  6
 37 36  1  6
 37 38  1  0
 38 39  1  0
 39 40  1  6
 40 41  1  0
 41 42  1  0
 42 43  1  6
 42 44  1  0
 44 45  1  0
 39 46  1  0
 46 47  1  1
 46 48  1  0
 48 49  1  1
 48 50  1  0
 50 51  1  6
 50 52  1  0
 52 53  1  0
 54 53  1  6
 31 55  1  0
  4 56  1  0
 56 57  1  6
 56 58  1  0
 58 59  1  6
 58 60  1  0
 60 61  1  1
 60  2  1  0
 24  6  1  0
 55 26  1  0
 18 11  1  0
 54 29  1  0
 54 34  1  0
 50 35  1  0
 48 37  1  0
 45 39  1  0
M  END
$$$$
Mol_1610
     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
  -10.4468   -0.4957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1416    0.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1293    1.7435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8488   -0.5171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5436    0.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2508   -0.5384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9456    0.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6528   -0.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3477    0.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0548   -0.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2503    0.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5432   -0.6024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8483    0.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1412   -0.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4463    0.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7391   -0.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0443    0.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5442    0.0819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8049    1.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 17  1  0
M  END
$$$$
Mol_1611
     RDKit          2D

 51 58  0  0  0  0  0  0  0  0999 V2000
   -1.1218   -0.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2019   -1.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6434   -1.4669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7234   -2.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1649   -2.0929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5263   -0.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9678   -0.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0478   -1.2631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3292    1.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7707    1.6485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1321    3.1043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3154    4.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7569    3.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2061    3.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4420   -5.0045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  6
  6  5  1  1
  6  7  1  0
  7  8  1  6
  7  9  1  0
  9 10  1  1
 10 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  1
 15 14  1  6
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  6
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 20 21  2  0
 21 22  1  0
 23 22  1  1
 23 24  1  0
 24 25  1  6
 26 25  1  6
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 27 28  1  0
 28 29  1  6
 29 30  1  0
 30 31  1  0
 31 32  1  6
 31 33  1  0
 33 34  1  0
 28 35  1  0
 35 36  1  1
 35 37  1  0
 37 38  1  0
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 44  6  1  0
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 42 23  1  0
 38 24  1  0
 37 26  1  6
 34 28  1  0
M  END
$$$$
Mol_1612
     RDKit          2D

 23 22  0  0  0  0  0  0  0  0999 V2000
  -14.1254   -0.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8148    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5276   -0.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2170    0.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9299   -0.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6193    0.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3321   -0.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0215    0.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7344   -0.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4237    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1366   -0.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1740    0.2908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4611   -0.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7718    0.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0589   -0.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3695    0.2093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6567   -0.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9673    0.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2544   -0.6017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5650    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5886    1.6277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8522   -0.6424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1628    0.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
M  END
$$$$
Mol_1613
     RDKit          2D

 73 81  0  0  0  0  0  0  0  0999 V2000
  -10.1932   -4.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7035   -4.3979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1464    1.1426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.9125   -0.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
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 13 14  1  0
 12 15  1  0
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  3 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
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 25 26  1  0
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 27 28  2  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
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 35 36  1  0
 34 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
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 46 47  1  0
 37 48  1  0
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 30 62  1  0
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 71 22  1  0
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 64 28  1  0
 60 32  1  0
 46 39  1  0
 58 50  1  0
M  END
$$$$
Mol_1614
     RDKit          2D

 29 27  0  0  0  0  0  0  0  0999 V2000
   15.0674    4.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7712    3.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4693    4.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1731    3.3179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8713    4.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5750    3.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2732    4.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9770    3.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6752    4.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3789    3.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0771    4.0339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7809    3.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5210    4.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8172    3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1190    4.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4152    3.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7171    4.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0133    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0077    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3151    3.9951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6114    3.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9132    3.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9188    5.4854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2094    3.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5112    3.9757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.0000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
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 13 14  1  0
 14 15  1  0
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 22 23  1  0
 22 24  1  0
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M  END
$$$$
Mol_1615
     RDKit          2D

  7  8  0  0  0  0  0  0  0  0999 V2000
   -2.7125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3308    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0958    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3948   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0958   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3308   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  6  4  1  0
M  END
$$$$
Mol_1616
     RDKit          2D

 32 37  0  0  0  0  0  0  0  0999 V2000
   -8.4528   -0.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9614    0.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3545    1.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8631    1.6719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.0769   -1.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6838   -2.4433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2316    1.7612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3948    2.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6115    0.9536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1115    0.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6176   -1.6444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8564    1.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9723   -0.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2807   -2.1199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  5  9  1  0
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 31 32  1  0
  7  2  1  0
 29 10  1  0
 31  5  1  0
 27 12  1  0
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M  END
$$$$
Mol_1617
     RDKit          2D

 31 36  0  0  0  0  0  0  0  0999 V2000
   -8.6621   -0.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1758   -0.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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  4  5  1  0
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  6  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
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 12 13  1  0
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  7  2  1  0
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 21 15  1  0
M  END
$$$$
Mol_1618
     RDKit          2D

 25 24  0  0  0  0  0  0  0  0999 V2000
    6.4882    5.8651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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 10 11  1  0
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 21 24  1  0
 24 25  1  0
M  END
$$$$
Mol_1619
     RDKit          2D

 71 80  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1620
     RDKit          2D

 41 47  0  0  0  0  0  0  0  0999 V2000
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   -5.9084   -2.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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M  END
$$$$
Mol_1621
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.5981   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0000   -1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  2  1  0
M  END
$$$$
Mol_1622
     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
    3.4565    2.0215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6337    0.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0698    0.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3097   -0.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8073   -0.8911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4880   -2.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9904   -1.9778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3144   -0.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1832   -0.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5026   -1.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4601    1.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1361    0.6162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
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 22  8  1  0
 19  9  1  0
 18 12  1  0
M  END
$$$$
Mol_1623
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -6.6780    1.1887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4907    0.2721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6907   -1.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1032    0.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9158   -0.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5283    0.4956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3409   -0.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5410   -1.9075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0465    0.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2339   -0.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6214   -0.1975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8981   -0.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0415   -0.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4715    1.3734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9758    1.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 11  1  0
M  END
$$$$
Mol_1624
     RDKit          2D

 31 36  0  0  0  0  0  0  0  0999 V2000
   -8.7601   -0.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2714   -0.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6864    1.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1977    1.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2941    0.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8791   -1.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3678   -1.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5678    1.5520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0952    1.2668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7362    1.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2876    0.8055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7874    0.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5136    2.1453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7401    3.4304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0134    2.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2866    0.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3349   -1.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4386   -0.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2981   -1.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2703   -0.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5554   -2.3294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  3  4  1  0
  4  5  1  0
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 29  9  1  0
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 27 11  1  0
 24 12  1  0
 22 16  1  0
M  END
$$$$
Mol_1625
     RDKit          2D

 52 59  0  0  0  0  0  0  0  0999 V2000
   -0.0485    3.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172    2.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9268   -0.1717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3955   -0.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3938    0.6432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2013    1.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8625    0.3384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8608    1.4580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.8017   -1.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0450    5.5256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  1
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 15  6  1  0
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M  END
$$$$
Mol_1626
     RDKit          2D

 33 38  0  0  0  0  0  0  0  0999 V2000
  -10.0025    0.5877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5028    0.6182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0037    0.7097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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$$$$
Mol_1627
     RDKit          2D

 23 22  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_1628
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_1629
     RDKit          2D

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$$$$
Mol_1630
     RDKit          2D

 71 80  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1631
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
   -9.0933   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  2  3
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M  END
$$$$
Mol_1632
     RDKit          2D

 33 35  0  0  0  0  0  0  0  0999 V2000
   -4.4979   -5.2639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1633
     RDKit          2D

  6  6  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
M  END
$$$$
Mol_1634
     RDKit          2D

 68 76  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1635
     RDKit          2D

 17 20  0  0  0  0  0  0  0  0999 V2000
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 17  7  1  0
M  END
$$$$
Mol_1636
     RDKit          2D

 46 50  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1637
     RDKit          2D

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M  END
$$$$
Mol_1638
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1639
     RDKit          2D

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 35  5  1  0
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M  END
$$$$
Mol_1640
     RDKit          2D

 25 29  0  0  0  0  0  0  0  0999 V2000
   -4.5952    1.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3576    0.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9445    1.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0294   -0.1839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4771   -1.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9524   -0.7840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9741   -2.4682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0671    2.9885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2019    2.9442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
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 10 11  1  0
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 20 11  1  0
 10  4  1  0
 21 11  1  0
 22  4  1  0
M  END
$$$$
Mol_1641
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11  2  1  0
M  END
$$$$
Mol_1642
     RDKit          2D

 57 61  0  0  0  0  0  0  0  0999 V2000
   -4.0038    0.0005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4318    1.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.2067   -4.3574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17  9  1  0
 47 21  1  0
 57 49  1  0
 33 25  1  0
 41 34  1  0
M  END
$$$$
Mol_1643
     RDKit          2D

  6  6  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
M  END
$$$$
Mol_1644
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -8.4348   -0.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1543    0.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2401   -0.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6376    0.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9545   -0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2349    0.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5518   -0.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8322    0.6239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1491   -0.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660   -0.8126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  3  0
M  END
$$$$
Mol_1645
     RDKit          2D

 56 61  0  0  0  0  0  0  0  0999 V2000
   -5.9184   -1.8760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5741   -0.7562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2871   -2.8117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7618   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4084   -3.8910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1646
     RDKit          2D

 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1647
     RDKit          2D

 56 62  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1648
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1649
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
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   11.0991   -1.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4430    0.1888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1650
     RDKit          2D

 38 40  0  0  0  0  0  0  0  0999 V2000
   -7.1996    2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  5  1  0
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M  END
$$$$
Mol_1651
     RDKit          2D

 56 61  0  0  0  0  0  0  0  0999 V2000
    2.7857   -4.4535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 17  9  1  0
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M  END
$$$$
Mol_1652
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -7.0521    1.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19  6  1  0
 18  8  1  0
M  END
$$$$
Mol_1653
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1654
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1655
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1656
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -5.2755    1.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1657
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1658
     RDKit          2D

 27 28  0  0  0  0  0  0  0  0999 V2000
    8.0750   -0.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1659
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1660
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
    7.5305   -2.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7359   -1.3534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5518   -0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1623   -0.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9782   -0.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5887   -0.6418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4046    0.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0151   -0.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1903   -1.7719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1690    0.6348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5585    0.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7426    0.9906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5372    2.4765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1321    0.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3162    1.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7057    0.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9111   -0.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3006   -1.2696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7270   -1.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3375   -1.0603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1836    1.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5731    1.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7572    1.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1467    1.6184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
  5 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23  3  1  0
 20 14  1  0
M  END
$$$$
Mol_1661
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -7.8442    3.4387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5444    1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1216    1.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8218    0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3991   -0.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0992   -1.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2221   -2.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6765   -2.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2247   -3.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7247   -3.8387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2495   -2.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1257   -1.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3320   -2.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7073   -2.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8763   -0.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2516   -0.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4206    1.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7959    2.0688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    1.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3774    1.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8331   -0.3133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2143    2.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8390    1.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6700    0.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4638    1.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2948   -0.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0885    0.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2868   -0.0339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4558   -1.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7486   -0.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9987    2.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2986    3.9581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5760    2.0131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  6
  6  8  1  0
  8  9  1  6
  9 10  1  0
 11 10  1  6
 11 12  1  0
 12 13  1  1
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  6
 18 19  1  0
 19 20  1  0
 19 21  2  0
 17 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  6
 24 26  1  0
 26 27  1  6
 27 28  1  0
 28 29  1  0
 29 30  1  6
  3 31  1  0
 31 32  1  0
 31 33  1  0
 29  8  1  0
 29 11  1  0
 26 12  1  0
 24 15  1  0
M  END
$$$$
Mol_1662
     RDKit          2D

  4  3  0  0  0  0  0  0  0  0999 V2000
    1.2990    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
M  END
$$$$
Mol_1663
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.6450    0.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5176   -0.3695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0970    0.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9696   -0.8774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4510   -0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7442    1.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1647    1.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2921    0.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9989   -0.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5783   -1.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
M  END
$$$$
Mol_1664
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -4.0444    0.0606    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5865    0.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5520   -0.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0941   -0.3198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3293    1.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7872    1.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8217    0.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3984   -1.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405   -1.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
M  END
$$$$
Mol_1665
     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
    5.6286   -3.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8632   -1.8600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6974   -0.9161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2970   -1.4538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1312   -0.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7309   -1.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4349   -0.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8352   -0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0697   -2.1230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0010    0.3025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4013   -0.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5671    0.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9675    0.1710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5052    1.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4298   -1.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3678   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3657    0.9716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7661    1.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0006    2.9909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8348    3.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9319    0.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3322    1.1031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
  5 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  2  0
 21 22  1  0
 21  3  1  0
M  CHG  1  13   1
M  END
$$$$
Mol_1666
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.6060    2.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4198    1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1513    1.9798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3350    1.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3437    0.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4027   -0.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9016   -0.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8425    0.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7834    2.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3413    0.7856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4846   -2.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2851   -3.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9812   -2.3360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3088   -1.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8770   -0.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3758   -0.3086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  6 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15  2  1  0
  8  5  1  0
M  END
$$$$
Mol_1667
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.9106   -1.5087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5361   -0.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6066    0.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0909    0.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7163    1.7981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2711    2.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7995    1.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2447    1.5511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3152    0.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7604    0.9023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9406   -0.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4955   -1.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1209   -2.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4249   -0.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0503   -1.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0203   -0.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16  4  1  0
 14  7  1  0
M  END
$$$$
Mol_1668
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.9036   -3.7450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8993   -2.6308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5678   -2.9435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5721   -1.8293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1093   -0.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3577   -0.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3620   -1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8205    1.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875    1.6497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7502    3.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2918    0.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1839    2.4512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6509    2.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1136    0.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0365   -0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4385    1.4152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  8 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
  7  2  1  0
 14  5  1  0
M  END
$$$$
Mol_1669
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.0000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10  4  1  0
M  END
$$$$
Mol_1670
     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    1.5796   -3.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8575   -1.9569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7199   -0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6956   -1.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8332   -0.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2487   -0.9943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3863   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8018   -0.5130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9395    0.4646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5554    0.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1399    1.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1380    2.9465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5535    3.4429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9977    0.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4132    0.9912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5509    0.0135    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    4.5285    1.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5732   -1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6885   -0.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  5 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 16 19  1  0
 14  3  1  0
M  END
$$$$
Mol_1671
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  5  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  2  0
 12  3  1  0
M  END
$$$$
Mol_1672
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
    6.1527   -3.6469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6191   -2.2213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6177   -1.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1499   -1.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1485   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6806   -0.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0677   -1.9745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4238   -1.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7326   -0.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8452    0.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3131    0.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3145    1.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7824    1.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7838    2.2751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3173    3.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2488   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7167   -0.5761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2474   -1.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7139   -2.8097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7125   -3.9265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7796   -1.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2323    2.0283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2591    1.8685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5680    0.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6150    1.1291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0828    1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5493    2.8635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0171    3.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0842    0.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5521    0.6300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  2  0
 10 22  1  0
 22 23  1  0
 23 24  1  0
  5 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 26 29  2  0
 29 30  1  0
 29  3  1  0
 24  6  1  0
 24  9  1  0
 21 11  1  0
M  END
$$$$
Mol_1673
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -7.5951    3.6047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2169    2.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2850    1.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7708    1.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3927    0.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9465   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5684   -1.5466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6364   -2.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1222   -1.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5944   -3.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0960   -3.2809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3023   -1.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4615   -2.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6436   -1.1631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8959   -1.9888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2371   -1.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3260    0.1803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6672    0.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1573    1.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0958   -0.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7561    2.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5038    3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1626    2.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0737    1.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8214    1.8317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7325    0.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4802    1.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8610    0.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9499   -1.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2817   -0.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 29  9  1  0
 29 12  1  0
 26 14  1  0
 24 17  1  0
M  END
$$$$
Mol_1674
     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -6.0683   -0.9742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8023   -1.7788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4726   -1.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4087    0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0789    1.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8130    0.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8768   -1.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3891   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3253   -3.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2066   -1.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2705   -3.3881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6003   -4.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6511    0.6295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4557    1.8954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9544    1.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6484    0.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1470    0.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8411   -0.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8438   -0.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5378   -2.0940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0364   -2.1578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3451   -0.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5405   -1.9663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2345   -3.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1295    3.3595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1364    4.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1225    5.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6005    3.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4622    5.0657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4051    2.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 11 12  1  0
  6 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  2  0
 22 23  1  0
 23 24  1  0
 14 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 10  3  1  0
 22 13  1  0
 30  5  1  0
M  END
$$$$
Mol_1675
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -5.3938    1.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2880    0.3778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9392   -0.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6964    0.5611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3476   -0.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1048    0.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2440    0.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3498   -1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6985   -2.0647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8044   -3.5610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5615   -4.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9414   -1.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2901   -1.8814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8356    0.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4868    0.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3810    2.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6239    3.2639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0323    3.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9264    4.5768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2106    2.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5593    2.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2418   -1.5916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4846   -2.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8334   -1.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0762   -2.6147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
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 12 13  1  0
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  5 22  2  0
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 20  6  1  0
 15  7  1  0
M  END
$$$$
Mol_1676
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
    5.5365   -2.4703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  1  0
 23 15  1  0
M  END
$$$$
Mol_1677
     RDKit          2D

 38 43  0  0  0  0  0  0  0  0999 V2000
    4.8569   -2.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 38  4  1  0
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M  END
$$$$
Mol_1678
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
   -6.2528   -1.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1679
     RDKit          2D

 39 42  0  0  0  0  0  0  0  0999 V2000
   -2.4531   -4.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1680
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1681
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1682
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
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    5.4261    0.1080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0266    0.6477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17  6  1  0
 12  7  1  0
 21  9  1  0
M  END
$$$$
Mol_1683
     RDKit          2D

 31 33  0  0  0  0  0  0  0  0999 V2000
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 31  5  1  0
M  END
$$$$
Mol_1684
     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1685
     RDKit          2D

 34 36  0  0  0  0  0  0  0  0999 V2000
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  8 28  1  0
 28 29  1  0
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 30 31  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 28  4  1  0
 26  7  1  0
 26 11  1  0
M  END
$$$$
Mol_1686
     RDKit          2D

 36 39  0  0  0  0  0  0  0  0999 V2000
    5.6596    2.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2419    1.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3358   -0.0362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8475    0.1507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2755   -2.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5647    4.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
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 14 15  1  0
 15 16  1  0
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 35  8  1  0
 20  9  1  0
 26 21  1  0
 31 24  1  0
M  END
$$$$
Mol_1687
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
    5.6951    0.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5872    1.9121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1575    1.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6199    2.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4060   -0.4607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0842   -1.9258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1922   -2.9370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8357   -0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9436   -1.0181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3733   -0.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9654   -0.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4305    0.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1885    3.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
  7 10  2  0
 10 11  1  0
 11 12  1  0
  6 13  1  0
 13 14  2  0
 14 15  1  0
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 16 17  1  0
 17 18  2  0
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 27 28  1  0
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 27 30  1  0
 10  3  1  0
 18 13  1  0
 30  5  1  0
 23 16  1  0
M  END
$$$$
Mol_1688
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
   -7.3105    1.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3265    0.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0356   -0.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7286    0.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9279   -4.7687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
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  3  5  1  0
  5  6  2  0
  5  7  1  0
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 36 37  1  0
 32  8  1  0
 16  9  1  0
 26 17  1  0
 37 11  1  0
M  END
$$$$
Mol_1689
     RDKit          2D

 40 43  0  0  0  0  0  0  0  0999 V2000
    5.9847   -4.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3189    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2963    1.6277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9167    0.1671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0095   -3.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  8  9  1  0
  7 10  2  0
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 35 38  1  0
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 34 29  1  0
 40  5  1  0
M  END
$$$$
Mol_1690
     RDKit          2D

  8  9  0  0  0  0  0  0  0  0999 V2000
    2.3083   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4266    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4266    1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4266   -1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  1  1  0
  7  3  2  0
M  END
$$$$
Mol_1691
     RDKit          2D

 30 34  0  0  0  0  0  0  0  0999 V2000
   -7.5951   -3.6047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2169   -2.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2850   -1.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7708   -1.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3927   -0.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9465    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5684    1.5466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6364    2.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1222    1.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5944    3.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0960    3.2809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3023    1.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4615    2.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6436    1.1631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8959    1.9888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2371    1.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3260   -0.1803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6672   -0.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1573   -1.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0958    0.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7561   -2.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1626   -2.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0737   -1.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7325   -0.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4802   -1.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8610   -0.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9499    1.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2817    0.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
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 29 30  1  0
 29  9  1  0
 29 12  1  0
 26 14  1  0
 24 17  1  0
 26 24  1  0
M  END
$$$$
Mol_1692
     RDKit          2D

 28 29  0  0  0  0  0  0  0  0999 V2000
   -1.5388   -4.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0419   -3.9543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6235   -2.6099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2080   -1.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4574   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3741    1.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8711    1.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7026    2.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1995    2.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8649    0.9435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3619    0.8476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0334   -0.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6988   -1.6493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8673   -2.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5365   -0.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2913    2.5756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5403    3.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7882    2.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4536    4.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6197    1.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167    1.5190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9482    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2828   -1.0738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9543    0.0787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7859   -1.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1205   -2.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9520   -3.7624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  2  0
  6 16  1  0
 16 17  1  0
 16 18  1  0
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 22 23  1  0
 22 24  2  0
  5 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 27  3  1  0
 15  7  1  0
M  END
$$$$
Mol_1693
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -5.6344    1.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1884    0.3658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7252    0.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7079    1.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2446    0.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7986   -0.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6647   -0.9536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1107   -2.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0934   -3.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5739   -2.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0199   -4.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5912   -1.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1453   -0.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1626    0.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7166    2.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2533    2.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2360    1.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6820    0.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1267    2.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0484    3.6975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5193    3.9913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8159   -1.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2792   -1.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2965   -2.4985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  6 22  1  0
 22 23  2  0
 23 24  1  0
 23  3  1  0
 18 13  1  0
 21 16  1  0
M  END
$$$$
Mol_1694
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -5.5988    1.7197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4876    0.2239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1366   -0.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8967    0.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5457   -0.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0453   -0.0426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1564   -1.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5075   -2.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6187   -3.6860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7474   -1.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0984   -1.9976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3383   -1.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6362    0.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2851    0.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1740    2.2975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4138    3.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.9491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7117    4.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4170    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4345   -1.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0254   -1.9237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2653   -2.7679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 22 23  1  0
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 20  6  1  0
 15  7  1  0
M  END
$$$$
Mol_1695
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -4.4087   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4087    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1097    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8107    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8107   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7500   -1.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1097   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4087   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4087    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1097    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8107    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
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 10 11  1  0
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 13 14  2  0
 14 15  1  0
 15 16  1  0
  6  1  1  0
 14  9  1  0
 16  4  1  0
M  END
$$$$
Mol_1696
     RDKit          2D

 39 43  0  0  0  0  0  0  0  0999 V2000
    7.1738    2.1398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8692    2.8800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5758    2.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2712    2.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9778    2.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9092    3.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
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 10 11  1  0
 11 12  1  0
  6 13  1  0
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 21 22  1  0
 22 23  1  0
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 29 30  1  0
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 31 32  1  0
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 34 35  1  0
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 37 38  1  0
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 10  3  1  0
 18 13  1  0
 33 28  1  0
 39  5  1  0
 23 16  1  0
M  END
$$$$
Mol_1697
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
    4.7525    0.1631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2525    0.1642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8632   -1.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3526   -2.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3515   -4.2315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0960   -2.3422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1559   -1.2808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5002    2.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3595    1.4815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5431    0.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  4  7  1  0
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 22 23  1  0
 22 24  1  0
 17 25  1  0
 22  2  1  0
 25 10  1  0
 25 13  1  0
M  CHG  2  13   1  14  -1
M  END
$$$$
Mol_1698
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
  -11.6913    0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3923   -0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.4952    0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   -0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1962   -0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952    0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942   -0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933    0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923   -0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6913    0.3553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
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 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
M  END
$$$$
Mol_1699
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.0037    4.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5195    3.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9658    2.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1691    1.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7633    0.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2475    0.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5893   -1.1623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4137   -2.4155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0488   -0.8163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0783   -1.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6936   -2.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6241   -3.5421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5240    2.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7416    4.2586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9710   -0.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
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  9 10  1  0
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 11 12  2  0
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 23  3  1  0
 25 15  1  0
 25 18  1  0
M  END
$$$$
Mol_1700
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.5261    0.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0271    0.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7547   -3.0191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0224   -2.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3218    1.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2405    3.2373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6737    2.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4721    4.0647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6937    1.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3784    3.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1820    1.5081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7643    0.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  4  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
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 13 14  1  0
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 17 18  1  0
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 22 23  1  0
 22 24  1  0
 17 25  1  0
 22  2  1  0
  6  4  1  0
 25 11  1  0
 25 14  1  0
M  END
$$$$
Mol_1701
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -5.1962   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5981   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
M  END
$$$$
Mol_1702
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.9904   -0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6913    0.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
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 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
M  END
$$$$
Mol_1703
     RDKit          2D

 26 27  0  0  0  0  0  0  0  0999 V2000
   -1.7398    4.9648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5507    3.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8632    2.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731    1.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4297   -0.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1107   -1.5340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8085   -2.8618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9125   -3.9058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7928   -2.7815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2657   -2.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6772   -1.7781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3164   -0.4211    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8147   -0.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8089    0.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4519    1.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0404    1.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0313    2.2319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3975    2.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3263    4.1869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4011   -0.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0972   -0.1636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  2  0
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 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 21 25  1  0
 25 26  2  0
 23  3  1  0
 25 14  1  0
M  END
$$$$
Mol_1704
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
    3.8752   -1.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742   -0.3949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1896    1.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8924    1.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7753    0.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3821   -0.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4974   -1.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9940   -1.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3628   -0.9856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2024    0.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7161    0.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3229    2.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6007   -0.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2758    0.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0116   -0.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
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 13 15  1  0
  6  2  1  0
 13  8  1  0
 11  5  1  0
M  END
$$$$
Mol_1705
     RDKit          2D

 14 16  0  0  0  0  0  0  0  0999 V2000
    3.7500   -0.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.2269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    2.2269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -0.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -1.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  6  1  1  0
 14  9  1  0
 14  4  1  0
M  END
$$$$
Mol_1706
     RDKit          2D

 16 19  0  0  0  0  0  0  0  0999 V2000
    1.1686    3.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0260    2.3755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4621    2.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3180    1.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4109    0.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0056    0.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2746    0.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4405   -1.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3785   -2.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1119   -2.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6109   -2.3581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9082   -1.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2823   -0.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6486   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7340   -1.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4798    0.7231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
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 12 13  1  0
  8 14  1  0
 14 15  1  0
 14 16  1  0
  6  2  1  0
 14  7  1  0
 12  5  1  0
 12 10  1  0
M  END
$$$$
Mol_1707
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
    3.7351    3.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2352    3.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5015    2.3425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5753    1.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9815   -0.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4814   -0.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6114   -1.6024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1039   -1.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2622   -2.9539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5640   -2.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3301   -3.9658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1201   -3.0825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3335   -2.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4073   -1.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8325   -1.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3124   -0.1612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5912    2.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3961    2.3064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0479    2.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    4.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8136   -0.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
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  5  7  1  0
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  7 10  1  0
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 20 24  1  0
 22  3  1  0
 24 14  1  0
 24 17  1  0
M  END
$$$$
Mol_1708
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.9902    5.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8998    3.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3216    2.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5088    1.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0787    0.1539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5665    0.3452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8784   -1.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3439   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6806   -2.6002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9617   -2.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8713   -3.7128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5742   -3.0898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9124   -2.8896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0997   -1.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2432   -2.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5198   -2.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1652   -0.6985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8069    0.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1650    2.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3563    4.1461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6695   -0.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
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  5  7  1  0
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 10 11  2  0
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 22  3  1  0
 24 14  1  0
 24 17  1  0
M  END
$$$$
Mol_1709
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.3198   -0.1957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8226   -0.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9942   -1.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4970   -1.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1717    0.0807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2594    1.1137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6567    1.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1538    1.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  5 11  1  0
 11 12  2  0
 12  2  1  0
M  END
$$$$
Mol_1710
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
    6.0284   -0.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8222    0.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4469   -0.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2778   -1.9736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2407    0.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4098    1.8990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8654   -0.1903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3408    0.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6428    1.4704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7712    0.2496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
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  5  7  1  0
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 17 11  1  0
M  END
$$$$
Mol_1711
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -7.1488    0.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8407   -0.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5509    0.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2428   -0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6449    0.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9530   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2428    0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5509   -0.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8407    0.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1488   -0.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
M  END
$$$$
Mol_1712
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -1.0063   -3.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0316   -2.0361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5316   -0.6219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0064   -0.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5065    1.0663    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4430    0.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9178    0.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8925    1.3844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4179   -1.1699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  8  3  1  0
M  END
$$$$
Mol_1713
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -4.6672   -0.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1694   -0.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8613    0.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8604    2.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1986    2.7873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0330    2.2687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1503    1.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3616    2.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5773    1.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1174   -0.1538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6174   -0.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  4  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
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 18 26  1  0
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  6  4  1  0
 26 11  1  0
 26 14  1  0
M  CHG  2  14   1  15  -1
M  END
$$$$
Mol_1714
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -4.7033    4.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4022    2.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9790    2.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5242    1.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9474    2.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2231    0.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7999   -0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4988   -1.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6209   -2.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0757   -2.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6226   -3.6182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9331   -2.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8503    0.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0180    1.6848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3928    2.2848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8110    2.5753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4362    1.9753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2685    0.4847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8938   -0.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6880    0.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8557   -1.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1492   -0.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
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  8 10  1  0
 10 11  1  0
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 27 28  1  0
 28 29  1  0
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 28 13  1  0
 25 14  1  0
 23 17  1  0
M  END
$$$$
Mol_1715
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.5745   -0.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0798   -0.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5709   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4247   -2.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0626   -3.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0518   -2.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4628   -2.1859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7527   -1.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1812    0.6411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7042    3.8025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8150    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5612    2.7263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2930    1.1689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6952    0.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
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 16 24  1  0
 21  2  1  0
 24 10  1  0
 24 13  1  0
M  END
$$$$
Mol_1716
     RDKit          2D

 41 45  0  0  0  0  0  0  0  0999 V2000
    9.2425   -3.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5443   -1.7112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9994   -1.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8778   -0.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4544   -0.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0007   -2.0955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0274   -0.6824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8079    0.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 35  6  1  0
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 32 11  1  0
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M  END
$$$$
Mol_1717
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.9926   -3.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3920    0.0383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 31  7  1  0
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 29 16  1  0
 26 17  1  0
M  END
$$$$
Mol_1718
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.8192    3.7497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3203    3.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1683   -0.0874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5240   -2.8840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1000    4.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6228   -0.3150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
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  5  7  1  0
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 21 25  1  0
 23  3  1  0
 25 14  1  0
 25 17  1  0
M  CHG  2  17   1  18  -1
M  END
$$$$
Mol_1719
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
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   -2.3640    0.4645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
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  4  5  1  0
  4  6  1  0
  6  7  1  0
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M  END
$$$$
Mol_1720
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.0808   -3.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5710   -2.2533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5883   -1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1328   -0.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5339   -0.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
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 27 30  2  0
 30 31  1  0
 31 32  1  0
 30  3  1  0
 25  6  1  0
 25  9  1  0
 22 11  1  0
M  END
$$$$
Mol_1721
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
   12.2064    0.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9645   -0.3388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6150    0.3160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3732   -0.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1904   -0.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8409   -0.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.2237    0.3201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  4  5  1  0
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 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
M  END
$$$$
Mol_1722
     RDKit          2D

 53 59  0  0  0  0  0  0  0  0999 V2000
   -9.1994   -3.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 24  1  0
 42 33  1  0
M  END
$$$$
Mol_1723
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
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   12.3424   -0.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1724
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -3.8846   -0.9574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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M  END
$$$$
Mol_1725
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.7844   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1726
     RDKit          2D

 24 23  0  0  0  0  0  0  0  0999 V2000
  -14.9400   -0.3299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1727
     RDKit          2D

 27 26  0  0  0  0  0  0  0  0999 V2000
   16.7884    0.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1728
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
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    7.2430   -0.8960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0937    0.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9417    2.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0718   -1.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
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 29 30  1  0
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 31 32  1  0
 32  2  1  0
 31  6  1  0
 29 10  1  0
 29 16  1  0
 26 17  1  0
M  END
$$$$
Mol_1729
     RDKit          2D

 28 27  0  0  0  0  0  0  0  0999 V2000
  -17.5378   -0.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2371    0.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.1455   -0.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1455    0.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0410   -0.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6390   -0.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9397    0.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2371   -0.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5378    0.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
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 10 11  1  0
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 26 27  1  0
 27 28  1  0
M  END
$$$$
Mol_1730
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.3861   -1.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9564   -1.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1514   -2.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5811   -1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9031   -0.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1174    2.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0096    3.0695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6344    0.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7421    1.1508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1719    0.6971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 10  2  1  0
M  END
$$$$
Mol_1731
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.2975    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5475   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2975   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0475   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8342    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2608    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2608   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8342   -1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  4  1  0
M  END
$$$$
Mol_1732
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -5.1962   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    2.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5981   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8971    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    2.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
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 16 18  2  0
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 19 20  2  0
  8  2  1  0
 18 11  1  0
 19  6  1  0
M  END
$$$$
Mol_1733
     RDKit          2D

 27 26  0  0  0  0  0  0  0  0999 V2000
  -16.8875   -0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5885    0.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2894   -0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9904    0.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6913   -0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3923    0.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0933   -0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942    0.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952   -0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8971   -0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4952   -0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942    0.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9904    0.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   -0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5885    0.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8875   -0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
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 16 17  1  0
 17 18  1  0
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 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
M  END
$$$$
Mol_1734
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -7.5336    2.8357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0792    1.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7748   -2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1735   -3.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3193   -3.6434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1380    1.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
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  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
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 16 17  2  0
 17 18  1  0
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 27 28  1  0
  3 29  1  0
 29 30  1  0
 29 31  1  0
 27  8  1  0
 27 11  1  0
 24 12  1  0
 22 16  1  0
M  END
$$$$
Mol_1735
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
   10.1722    2.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6744    2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9961    1.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4983    1.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8201   -0.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6440   -1.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1462   -1.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4680   -3.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0298   -3.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8493   -1.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3471   -1.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1666   -0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6644   -0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4839    0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9817    0.4415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8012    1.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2990    1.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1185    2.8726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
M  END
$$$$
Mol_1736
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.2123   -2.7888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5001   -1.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3692   -0.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0497   -0.8182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1807    0.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5995   -0.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7305    0.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8873   -1.7918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8928    1.6393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5260    2.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6570    1.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0758    1.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  5  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11  3  1  0
M  END
$$$$
Mol_1737
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -4.2741   -1.4221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9076    0.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9841    1.0771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4647    0.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3883   -0.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0546   -0.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4211    1.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8639    1.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9404    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3833    1.0376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5740   -0.8269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6504   -1.8715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1311   -1.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  2  0
 13  6  1  0
M  END
$$$$
Mol_1738
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -2.3942    1.5592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7824    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2313   -0.2780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7218   -0.9504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2729   -0.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1153    0.8867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5642    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6249    0.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0738    0.6025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2367   -1.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7878   -1.6228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11  5  1  0
M  END
$$$$
Mol_1739
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -4.7033    4.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4022    2.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9790    2.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5242    1.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9474    2.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2231    0.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7999   -0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4988   -1.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6209   -2.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0757   -2.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6226   -3.6182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1226   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3513   -2.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7261   -1.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9331   -2.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3078   -1.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4756   -0.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8503    0.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0180    1.6848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3928    2.2848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8110    2.5753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4362    1.9753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2685    0.4847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0615    1.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8938   -0.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6867    0.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6880    0.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8557   -1.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1492   -0.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 10  1  0
 28 13  1  0
 25 14  1  0
 23 17  1  0
M  END
$$$$
Mol_1740
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -3.7110    0.7996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3117    0.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0798   -1.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6805   -1.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4870   -0.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8864   -1.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0539   -0.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8220    1.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4227    1.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552    0.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1442    1.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  2  1  0
 10  5  1  0
M  END
$$$$
Mol_1741
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
    4.9358    0.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5784    0.9618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3469    0.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4728   -1.3893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9895    0.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2420   -0.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8152   -1.1767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1063   -1.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6002   -1.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2297    0.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7236    0.2940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3654    1.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8715    1.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13  6  1  0
M  END
$$$$
Mol_1742
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -5.2067    0.9843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1021   -0.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6710    0.4186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5664   -0.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8930   -2.0603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1352   -0.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914    1.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6226    1.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7271    0.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1583    1.2003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4005   -0.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5051   -1.7278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9693   -1.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  2  0
 13  6  1  0
M  END
$$$$
Mol_1743
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.9452   -1.9906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -0.5359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1365   -0.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0597   -1.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3831   -0.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4599   -1.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9027   -1.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2686    0.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1918    1.1059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7113    0.4721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7490    0.6954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3278    1.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7706    1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8474    2.3735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  5 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13  3  1  0
M  END
$$$$
Mol_1744
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.3690    1.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1386    0.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3069   -0.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7397   -0.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6206   -1.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3774   -2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0539   -1.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0793   -3.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5954   -0.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0612   -0.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2110    1.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8379    1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5191    3.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8394    0.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6449    0.9390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15  4  1  0
 14  9  1  0
M  END
$$$$
Mol_1745
     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
   -3.6238    3.5376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2463    2.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3148    1.0331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9373   -0.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5710   -1.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5599    0.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8003    1.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4806    2.1025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1746
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1747
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1748
     RDKit          2D

 56 61  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1749
     RDKit          2D

 67 73  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1750
     RDKit          2D

 67 74  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1751
     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1752
     RDKit          2D

 79 86  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1753
     RDKit          2D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1754
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1755
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1756
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
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 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
M  END
$$$$
Mol_1757
     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
    9.9161    0.5994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6574   -0.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3215    0.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0628   -0.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7268    0.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1322    0.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8735   -0.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.0648    1.9772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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 13 16  1  0
 16 17  1  0
M  END
$$$$
Mol_1758
     RDKit          2D

 24 24  0  0  0  0  0  0  0  0999 V2000
  -11.1237   -1.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6988   -1.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7807   -0.8267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5986   -1.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
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 22 24  1  0
 17 12  1  0
M  END
$$$$
Mol_1759
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
  -10.6494   -0.6339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2448   -1.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3985    1.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0062    0.5478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1643    1.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5689    0.9748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7270    1.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1317    1.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4340   -2.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
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 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
M  END
$$$$
Mol_1760
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    3.8167    0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9774   -0.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4811   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6418   -1.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8545   -1.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8241    1.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3508   -1.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
M  END
$$$$
Mol_1761
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
   -8.4760   -1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3802   -0.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8494    0.2092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4144   -0.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2123    1.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6472    0.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431    1.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1781    1.5342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5172    0.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9521   -0.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2912   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7262   -2.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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 13 14  1  0
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M  END
$$$$
Mol_1762
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
    4.1357   -5.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2352   -4.1716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7008   -0.3627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6013   -1.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31  3  1  0
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 27  7  1  0
 42 29  1  0
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M  END
$$$$
Mol_1763
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
   -9.7451   -0.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7451    0.3086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1764
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.8112   -0.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4985    0.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4207   -0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1080    0.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1770   -0.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4896    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7746   -0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0873    0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3722   -0.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6849    0.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9699   -0.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2825    0.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3102    1.6142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5675   -0.6594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8802    0.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
M  END
$$$$
Mol_1765
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -6.2081   -0.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9423   -1.5526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6124   -0.8588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5482    0.6398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2183    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1542    2.8322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9525    0.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3774    1.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4415    2.7211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6432    0.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    1.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0372    2.6100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2389    0.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1747   -1.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4405   -1.9969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8448   -1.8859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5790   -1.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2491   -1.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0167   -0.9699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3466   -1.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20  3  1  0
 19  7  1  0
 17 10  1  0
M  END
$$$$
Mol_1766
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
    7.5855    0.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3070   -0.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9883    0.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7099   -0.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3912    0.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1127   -0.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2060    0.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4844   -0.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8031    0.1556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0816   -0.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4003    0.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4405    1.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6787   -0.6986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
M  END
$$$$
Mol_1767
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -3.6633    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5295   -0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1121   -0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8286    0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9625    1.9640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5888    1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8722    2.9459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7226    0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1400    0.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4392   -0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5731   -1.9640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0218   -1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2617   -2.9459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12  3  1  0
M  END
$$$$
Mol_1768
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
  -11.2249   -0.1782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9016    0.5280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6283   -0.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3050    0.4413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0317   -0.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7083    0.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4351   -0.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1117    0.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8384   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4849    0.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7582   -0.6116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0815    0.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3548   -0.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6782    0.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7282    1.5071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9515   -0.7850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2748   -0.0787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5481   -0.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3248    1.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
M  END
$$$$
Mol_1769
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
  -12.3424   -0.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0401    0.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7443   -0.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4420    0.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1463   -0.3439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8440    0.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5482   -0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2459    0.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9502   -0.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6479    0.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6479   -0.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9502    0.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2459   -0.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5482    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8440   -0.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1463    0.3439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4420   -0.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7443    0.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0401   -0.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3424    0.3213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
M  END
$$$$
Mol_1770
     RDKit          2D

 26 25  0  0  0  0  0  0  0  0999 V2000
  -16.1418   -0.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8347    0.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5439   -0.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2368    0.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9460   -0.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6388    0.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3480   -0.3418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0409    0.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7501   -0.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4430    0.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1522   -0.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8451    0.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5543   -0.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7529    0.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0436   -0.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3508    0.2808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6416   -0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9487    0.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2395   -0.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5466    0.2242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8374   -0.5399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1445    0.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4353   -0.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7425    0.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7588    1.6675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0333   -0.5965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
M  END
$$$$
Mol_1771
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -3.4677   -3.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1131   -2.3752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9939   -0.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2292   -0.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5837   -0.6735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1100    1.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3453    2.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7554    2.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5201    1.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6393   -0.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5960   -1.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4767   -2.5818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9505   -0.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1858   -1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0666   -2.7883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5404   -0.6487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6596    0.8466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4243    1.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0698    1.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8344    1.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9537    3.3992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 10  3  1  0
 19 13  1  0
 20  9  1  0
M  END
$$$$
Mol_1772
     RDKit          2D

 40 43  0  0  0  0  0  0  0  0999 V2000
    4.2821   -4.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3660   -3.9002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0099   -2.4431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5700   -2.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2139   -0.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7740   -0.1456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1773
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1774
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1775
     RDKit          2D

 42 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1776
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
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    0.2491   -1.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0167   -0.9699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3466   -1.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20  3  1  0
 19  7  1  0
 17 10  1  0
M  END
$$$$
Mol_1777
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
    7.7262    2.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2912    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9521    0.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5172   -0.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1781   -1.5342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431   -1.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6472   -0.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2123   -1.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8836   -0.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3185   -0.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4144    0.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8494   -0.2092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9452    0.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3802    0.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4760    1.4024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
M  END
$$$$
Mol_1778
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.3727   -0.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0711    0.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7746   -0.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4731    0.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1765   -0.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8750    0.4838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5785   -0.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2770    0.4752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9804   -0.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6789    0.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6176   -0.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6126   -1.7878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9192    0.4579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2157   -0.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5172    0.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8138   -0.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1153    0.4406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4118   -0.3137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7133    0.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0099   -0.3223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3114    0.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
M  END
$$$$
Mol_1779
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -1.8329    1.4782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0876    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4951   -0.5186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9347   -0.9597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4728   -0.4411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7196   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8980   -0.3469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3794    1.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8806    1.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  5  1  0
M  END
$$$$
Mol_1780
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
  -11.6913   -0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3923    0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0933   -0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942    0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952   -0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952   -0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942    0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933   -0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923    0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6913   -0.3553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
M  END
$$$$
Mol_1781
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
    3.7500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  4 11  1  0
 11 12  2  0
 12  1  1  0
 10  5  1  0
M  END
$$$$
Mol_1782
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.9340   -0.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5752    0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3456   -0.7383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9868   -0.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8577    1.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5011    2.0269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7308    1.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0895    1.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6016   -0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8313   -1.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7021   -2.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2428   -0.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12  4  1  0
M  END
$$$$
Mol_1783
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -5.8837    0.8383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3954    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8128   -0.7305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3244   -0.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7418   -2.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4187    0.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0697    0.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9754    1.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4638    1.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3695    2.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0464   -0.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5347   -0.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1173   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
M  END
$$$$
Mol_1784
     RDKit          2D

 27 26  0  0  0  0  0  0  0  0999 V2000
   16.1153    0.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8213   -0.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5173    0.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2233   -0.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9192    0.3790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6253   -0.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3212    0.3616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0273   -0.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7232    0.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292   -0.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1252    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8312   -0.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5272    0.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7668   -0.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    0.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3648   -0.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6689    0.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9628   -0.4846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2669    0.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2770    1.7566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5608   -0.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5508   -2.0020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8649    0.2392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1589   -0.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4629    0.2217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7569   -0.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4730    1.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
M  END
$$$$
Mol_1785
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.9904   -0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6913    0.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3923   -0.3571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0933    0.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942   -0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952    0.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952    0.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942   -0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933    0.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923   -0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6913    0.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9904   -0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
M  END
$$$$
Mol_1786
     RDKit          2D

 39 42  0  0  0  0  0  0  0  0999 V2000
   -2.2116   -4.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8052   -4.1095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5536   -2.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7085   -1.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4569   -0.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6118    0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0182    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1731    1.1982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5795    0.6767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7343    1.6339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4828    3.1127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.9277   -3.2380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1149   -2.1950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0505    0.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2011    1.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9538    2.7628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6075    2.3271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8590    3.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2655    4.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    4.7631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7623    1.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1688    1.8914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7769    1.3058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6222   -1.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9259   -2.4450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7751   -3.4445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2280   -0.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9608   -1.3653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1044   -0.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8528   -2.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 22 26  1  0
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 28 29  1  0
 29 30  1  0
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 31 32  1  0
 31 33  1  0
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 31 35  1  0
 35 36  1  0
 26 37  2  0
 37 38  1  0
 38 39  2  0
 39  3  1  0
 16  7  1  0
 38 18  1  0
 35 28  1  0
M  END
$$$$
Mol_1787
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    4.6693    2.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2606    0.7421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8063    0.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3976   -1.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9433   -1.4364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5346   -2.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1022   -0.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5564   -0.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6019    0.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1932    1.7904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0562   -0.0205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1017    1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
M  END
$$$$
Mol_1788
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
   13.6412   -0.3260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3394    0.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0431   -0.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7414    0.4100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4450   -0.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433    0.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8470   -0.3540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5453    0.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2489   -0.3633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9472    0.3820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6509   -0.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6509    0.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9472   -0.3820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2489    0.3633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5453   -0.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8470    0.3540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1433   -0.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4450    0.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7414   -0.4100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0431    0.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3394   -0.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6412    0.3260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
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 13 14  1  0
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 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
M  END
$$$$
Mol_1789
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
   11.4147    0.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1229   -0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8167    0.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250   -0.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2188    0.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9270   -0.4261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6208    0.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.4512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0228    0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2689   -0.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5751    0.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8668   -0.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1731    0.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4648   -0.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7710    0.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7855    1.7109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0628   -0.5516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3690    0.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6607   -0.5767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
M  END
$$$$
Mol_1790
     RDKit          2D

 26 25  0  0  0  0  0  0  0  0999 V2000
  -16.2389    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9379   -0.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6408    0.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3399   -0.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0428    0.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7418   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4447    0.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1437   -0.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8466    0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5457   -0.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2485    0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9476   -0.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6505    0.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6505   -0.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9476    0.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2485   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5457    0.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8466   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1437    0.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4447   -0.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7418    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0428   -0.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3399    0.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6408   -0.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9379    0.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2389   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
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 17 18  1  0
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 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
M  END
$$$$
Mol_1791
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
   10.1722    2.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6744    2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9961    1.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4983    1.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8201   -0.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3223   -0.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6440   -1.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1462   -1.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4680   -3.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0298   -3.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8493   -1.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3471   -1.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1666   -0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6644   -0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4839    0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9817    0.4415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8012    1.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2990    1.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1185    2.8726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
M  END
$$$$
Mol_1792
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
    5.4960    0.6338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4019   -0.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9662    0.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8721   -0.9841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4364   -0.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6576   -1.5758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0934   -1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1874   -2.1675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0948    0.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3409    1.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6825    2.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4350    0.3192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8707    0.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
M  END
$$$$
Mol_1793
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
   11.5071    3.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0198    3.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4448    1.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9575    1.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3825    0.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8952   -0.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3202   -1.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8329   -1.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2579   -3.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7706   -3.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8583   -2.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.7401    1.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2275    1.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1398    2.8887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
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 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
M  END
$$$$
Mol_1794
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
    5.8790    0.6819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6012   -0.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2820    0.6101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0041   -0.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0456   -1.6749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6849    0.5384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5930   -0.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5515   -1.7467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9122    0.4666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9536    1.9660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1900   -0.3190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5093    0.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7871   -0.3908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
M  END
$$$$
Mol_1795
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
   -5.9973   -3.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2581   -1.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0189   -0.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2797    0.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7798    0.8223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5405    2.1151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0405    2.1026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8013    3.4203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0406    2.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5406    2.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7799    0.8472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0191   -0.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5191   -0.4580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -1.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7416   -1.7383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4808   -0.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9808   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0022   -2.9938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9807   -0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4806   -0.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2199    0.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9472    2.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7200    0.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9592    2.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4593    2.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7201    0.8597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0407    2.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0190   -0.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3445   -2.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0064   -3.2550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
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 19 20  1  0
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 29 30  1  0
 30 31  1  0
 13 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 33  2  1  0
 32  5  1  0
 30 11  1  0
 30 16  1  0
 27 17  1  0
M  END
$$$$
Mol_1796
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
  -13.4081   -0.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1001    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8102   -0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5022    0.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2123   -0.3449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9044    0.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6144   -0.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3065    0.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0165   -0.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7086    0.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4186   -0.4382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8893    0.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1793   -0.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4872    0.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7772   -0.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0851    0.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3751   -0.5315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6830    0.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7009    1.7028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9730   -0.5626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2809    0.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5708   -0.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
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 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
M  END
$$$$
Mol_1797
     RDKit          2D

 26 25  0  0  0  0  0  0  0  0999 V2000
  -16.2389   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9379    0.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6408   -0.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3399    0.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0428   -0.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7418    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4447   -0.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1437    0.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8466   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5457    0.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2485   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9476    0.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6505   -0.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6505    0.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9476   -0.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2485    0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5457   -0.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8466    0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1437   -0.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4447    0.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7418   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0428    0.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3399   -0.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6408    0.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9379   -0.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2389    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
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 21 22  1  0
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 23 24  1  0
 24 25  1  0
 25 26  1  0
M  END
$$$$
Mol_1798
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
  -12.2170   -0.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9049    0.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6193   -0.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3072    0.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0217   -0.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7096    0.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4240   -0.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1119    0.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8263   -0.4178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5142    0.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7714   -0.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0834    0.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3690   -0.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6811    0.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -0.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5644   -0.6014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8764    0.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1620   -0.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9029    1.6253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
M  END
$$$$
Mol_1799
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
   -9.4252   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1123    0.4338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8276   -0.3405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5147    0.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2299   -0.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9170    0.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6323   -0.4382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3194    0.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9653   -0.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2782    0.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5629   -0.5358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8758    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9040    1.6894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4734    0.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7582   -0.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 10 11  1  0
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 12 14  1  0
 14 15  1  0
 15 16  1  0
M  END
$$$$
Mol_1800
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
   -6.5679   -1.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0812   -1.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1650   -2.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5108    0.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0241    0.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4536    1.7185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9670    1.9181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3965    3.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0508    0.7304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4359    0.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521   -0.2576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8387   -0.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4092    1.3293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7549   -1.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2416   -1.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1845   -2.6329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
M  END
$$$$
Mol_1801
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
  -12.0861    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7768   -0.4492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4883    0.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1790   -0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8905    0.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5812   -0.3773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2926    0.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833   -0.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6948    0.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3855   -0.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9030    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2123   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5008    0.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -0.2335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0987    0.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4080   -0.1975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4287   -1.6974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6965    0.5704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0058   -0.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2943    0.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
M  END
$$$$
Mol_1802
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
  -10.7591   -0.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4482    0.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1614   -0.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8505    0.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5637   -0.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2527    0.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9659   -0.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6550    0.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3682   -0.4525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9428    0.2765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2296   -0.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5405    0.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8273   -0.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1382    0.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1624    1.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250   -0.5779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7360    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0228   -0.6198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
M  END
$$$$
Mol_1803
     RDKit          2D

 32 31  0  0  0  0  0  0  0  0999 V2000
   -7.3893    0.4303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4267   -0.7200    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -5.4640   -1.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5770   -1.6827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2763    0.2427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8675   -0.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7171    0.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9757    2.1680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    0.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0498   -1.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3591   -1.8169    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -0.1558   -3.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8740   -0.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7680   -2.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1579    1.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4165    2.6158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7339    3.5785    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -0.2288    4.7288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6965    2.4281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8842    4.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2509    0.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5094   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9183   -1.3691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1768   -2.8466    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    4.6544   -2.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6993   -3.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4354   -4.3242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4012    1.5860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8101    1.0712    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    4.3250    2.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2952   -0.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2190    0.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
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 11 14  1  0
  9 15  1  0
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 16 17  1  0
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 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
 21 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  1  0
 29 32  1  0
M  END
$$$$
Mol_1804
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.8112    0.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4985   -0.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2136    0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9009   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6159    0.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3033   -0.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0183    0.3718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7056   -0.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4207    0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1080   -0.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1770    0.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4896   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7746    0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0873   -0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3722    0.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6849   -0.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9699    0.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2825   -0.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3102   -1.6142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5675    0.6594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8802   -0.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
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  9 10  1  0
 10 11  1  0
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 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
M  END
$$$$
Mol_1805
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.8479    3.4095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3514    1.9940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1226    1.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6190    0.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0931    0.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0707    1.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5448    0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0412   -0.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5152   -0.8104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0636   -1.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5895   -1.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8326   -0.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8102   -1.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2843   -1.4189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.5566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7807   -0.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8031    1.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
  8 10  1  0
 10 11  2  0
  4 12  1  0
 12 13  1  0
 13 14  2  0
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 17 18  1  0
 18 19  2  0
 19  2  1  0
 11  5  1  0
 19 13  1  0
M  END
$$$$
Mol_1806
     RDKit          2D

 47 52  0  0  0  0  0  0  0  0999 V2000
   -2.3350   -6.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2404   -4.8302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3950   -2.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0513   -1.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6442   -1.6724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3604    2.8187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.2025    3.8129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 39 28  1  0
M  END
$$$$
Mol_1807
     RDKit          2D

 45 50  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1808
     RDKit          2D

 37 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1809
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1810
     RDKit          2D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 29  4  1  0
M  END
$$$$
Mol_1811
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
   -8.3404   -0.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1812
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
    3.0300   -0.2207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6387    0.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  2  0
  4  7  1  0
M  END
$$$$
Mol_1813
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.9577   -2.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3769    0.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7633    2.6538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0059    1.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1814
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
    6.5640   -0.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1530    1.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1578    2.3732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1815
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
    4.3995   -4.9718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1816
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1817
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 27  9  1  0
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M  END
$$$$
Mol_1818
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1819
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
    6.0978    0.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19  7  1  0
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M  END
$$$$
Mol_1820
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1821
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1822
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1823
     RDKit          2D

 71 79  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1824
     RDKit          2D

 56 63  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1825
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1826
     RDKit          2D

 56 63  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1827
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1828
     RDKit          2D

 45 49  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1829
     RDKit          2D

 52 57  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1830
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1831
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1832
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
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M  END
$$$$
Mol_1833
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1834
     RDKit          2D

 55 61  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1835
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1836
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1837
     RDKit          2D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1838
     RDKit          2D

 63 70  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1839
     RDKit          2D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1840
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1841
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1842
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 18  5  2  0
 15  9  1  0
M  END
$$$$
Mol_1843
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -4.2027    2.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  1  0
 22 23  2  0
  8  2  1  0
 21 14  1  0
 22  4  1  0
M  END
$$$$
Mol_1844
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
    8.5128    0.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1646    1.6008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8034    2.6846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0454    0.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.9154   -0.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
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 18 19  1  0
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M  END
$$$$
Mol_1845
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
    4.8451   -3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3364   -1.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3547   -0.7159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9000    0.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0644   -1.5653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0635    2.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0452    3.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8643    1.8355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8460    0.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3191    0.9845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 20 21  1  0
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 22  3  1  0
 19 11  1  0
M  END
$$$$
Mol_1846
     RDKit          2D

 18 21  0  0  0  0  0  0  0  0999 V2000
   -3.9974   -2.2860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6180   -0.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6852    0.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3058    1.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7214    0.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3421   -1.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6386    1.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1557    1.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2189    0.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
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 11  2  1  0
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 11  6  1  0
 18  8  1  0
M  END
$$$$
Mol_1847
     RDKit          2D

 31 30  0  0  0  0  0  0  0  0999 V2000
  -19.4856   -0.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.1865    0.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1865    0.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4856   -0.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
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 29 30  1  0
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M  END
$$$$
Mol_1848
     RDKit          2D

 18 21  0  0  0  0  0  0  0  0999 V2000
   -0.3893   -2.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6551   -1.0771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6294    1.0383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0664   -0.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 18  2  1  0
 11  3  1  0
 18 13  1  0
  9  4  1  0
M  END
$$$$
Mol_1849
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -4.0484    0.7334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5882   -0.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1280   -2.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9877   -0.1263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1887   -1.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9564   -2.6878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0215   -0.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6219   -0.8035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5453    0.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3130    1.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9437    2.4395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5532    3.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9449    3.9639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4802    2.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8797    2.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120    0.5410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5115    0.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7438   -1.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5766   -2.4228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8089   -3.9047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1771   -1.8831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9448   -0.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
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 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22  9  1  0
 14 10  1  0
 22 16  2  0
M  END
$$$$
Mol_1850
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
   -8.3427   -0.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8518   -0.5506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2488   -1.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9638    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4728    0.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5848    1.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0939    1.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2059    2.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4909    0.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6029   -1.3735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0939   -1.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6968   -2.9115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9819   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4728   -0.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3608    0.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8518    0.5506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7398    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4547   -0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
M  END
$$$$
Mol_1851
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -2.5981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  1  1  0
  9  4  1  0
M  END
$$$$
Mol_1852
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -1.8975    1.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1374    0.0849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3772   -1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4305   -0.6752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1558    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4606    0.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4723   -1.3948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7538    0.8653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
M  CHG  2   2   1   8  -1
M  END
$$$$
Mol_1853
     RDKit          2D

 19 22  0  0  0  0  0  0  0  0999 V2000
    0.4435   -3.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5338   -2.7329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1868   -1.2736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2771   -0.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7144   -0.6725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8046    0.3577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4576    1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0203    2.2461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9300    1.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4927    1.6450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5976    0.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2505   -0.8445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5312   -1.6255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6697   -0.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1573   -0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0679    0.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4908    1.7351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0033    1.9277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0927    0.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
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 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 12  3  1  0
 19 14  1  0
  9  4  1  0
 19 11  1  0
M  END
$$$$
Mol_1854
     RDKit          2D

 19 22  0  0  0  0  0  0  0  0999 V2000
    0.2108   -2.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5315   -1.2742    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9608   -0.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0695   -1.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4988   -1.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8195    0.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7108    1.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2815    0.6461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1728    1.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4934    3.1218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2566    1.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5511    1.9593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6718    0.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1626    1.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0516   -0.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4497   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9589   -1.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0699   -0.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5772   -0.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19  2  1  0
  8  3  1  0
 19 11  2  0
 18 13  1  0
M  END
$$$$
Mol_1855
     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
  -10.7364   -2.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2364   -2.8110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4772   -1.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9772   -1.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2180   -0.2344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7180   -0.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9588    1.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4588    1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6996    2.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3952    3.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1047    3.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8454    1.7572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3454    1.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0861    0.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5861    0.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3268   -0.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8268   -0.8836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5675   -2.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8083   -3.4816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0675   -2.1986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6889    3.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 10 21  1  0
 21  9  1  0
M  END
$$$$
Mol_1856
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -3.0914    2.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8549    1.2736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9719   -0.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3255   -0.8682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7353   -1.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8523   -2.5663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6183   -0.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7353    1.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0889    1.7173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3255    0.8682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2084   -0.6272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8549   -1.2736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
M  END
$$$$
Mol_1857
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
    6.0340   -2.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9469   -3.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8598   -4.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9805   -4.2686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9134   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3381   -0.6558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3045    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8463    0.0798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292    1.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1679    1.4453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1539    3.3086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2906    2.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7886    3.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2891    3.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1355    2.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2771    3.2020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4888    1.5819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7258    2.4303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0791    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3161    2.6318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1954    0.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5487   -0.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6650   -1.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 17  1  0
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M  END
$$$$
Mol_1858
     RDKit          2D

 14 16  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0
M  END
$$$$
Mol_1859
     RDKit          2D

 17 20  0  0  0  0  0  0  0  0999 V2000
   -4.9142   -0.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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 10  1  1  0
 17 12  1  0
  9  4  1  0
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M  END
$$$$
Mol_1860
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1861
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1862
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1863
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1864
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1865
     RDKit          2D

 38 42  0  0  0  0  0  0  0  0999 V2000
   -7.4070   -2.8811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 16  1  0
 35 28  1  0
M  END
$$$$
Mol_1866
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -6.4971    0.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2144    1.8447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 21  4  1  0
 18  9  1  0
M  END
$$$$
Mol_1867
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -4.8951   -2.7873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3354    1.8988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1868
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
    0.0004   -2.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2280   -1.4869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 11  3  1  0
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M  END
$$$$
Mol_1869
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -6.2397   -1.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1870
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1871
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -6.8732    1.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0631   -0.0767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 16  9  1  0
M  END
$$$$
Mol_1872
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
    5.4803    0.6488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1873
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -7.0816    1.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1874
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
   -3.1874    4.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1875
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
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 19  8  1  0
 32 15  1  0
M  END
$$$$
Mol_1876
     RDKit          2D

 41 45  0  0  0  0  0  0  0  0999 V2000
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    3.6460    2.1974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 29  2  1  0
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M  END
$$$$
Mol_1877
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -4.9045   -0.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4990    0.0819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 16 17  1  0
 17 18  2  0
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 16 11  1  0
 17  5  1  0
M  END
$$$$
Mol_1878
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -5.1232   -0.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6721    0.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0782    2.8969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1879
     RDKit          2D

 40 44  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1880
     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
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  7 16  1  0
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 14  5  1  0
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 22  6  1  0
 13  8  1  0
M  END
$$$$
Mol_1881
     RDKit          2D

 37 41  0  0  0  0  0  0  0  0999 V2000
   -8.9615    0.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4619    0.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 11 12  2  0
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M  END
$$$$
Mol_1882
     RDKit          2D

 37 41  0  0  0  0  0  0  0  0999 V2000
   -6.5240   -4.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5222   -3.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0545   -3.4282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9882   -1.6931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9864   -0.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5186   -0.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5169    0.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0509   -1.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.9201    1.1585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 36  5  1  0
 32  7  1  0
 28  9  1  0
 26 12  1  0
 22 14  1  0
M  END
$$$$
Mol_1883
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -4.7622   -0.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3984   -0.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2574    1.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8936    1.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7525    3.2582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    0.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8118   -0.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1756   -1.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3167   -2.7153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4109   -1.4662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2699   -2.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3613   -1.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5023    0.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2796    1.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9158    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8340    3.0139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
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  8  9  1  0
  7 10  1  0
 10 11  2  0
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 17 12  1  0
 18  6  1  0
M  END
$$$$
Mol_1884
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.4072   -3.0868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4198   -1.5869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -0.8478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0178   -1.6086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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 18 11  1  0
M  END
$$$$
Mol_1885
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -3.3166    3.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  3  1  0
 21 16  1  0
 22  5  1  0
M  END
$$$$
Mol_1886
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1887
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1888
     RDKit          2D

 37 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1889
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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   -3.8495   -1.2805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1890
     RDKit          2D

 45 50  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1891
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1892
     RDKit          2D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1893
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0
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M  END
$$$$
Mol_1894
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -5.5466   -0.1785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1895
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1896
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 12  2  1  0
  8  3  1  0
 20 11  1  0
M  END
$$$$
Mol_1897
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -5.2883   -0.3698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8365   -0.7473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7838    0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1827    1.7672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3320   -0.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9331   -1.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9859   -2.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5186   -1.8798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9176   -3.3257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3693   -3.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4221   -2.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0231   -1.1888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2252    1.7032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8263    3.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8791    4.2176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3746    3.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6782    2.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2793    1.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20  5  1  0
 13  8  1  0
 20 14  2  0
M  END
$$$$
Mol_1898
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
   -7.7674    0.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3955   -0.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2349   -2.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1842    0.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1881    1.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7627    2.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3028    3.7307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8779    1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7565   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7573   -1.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2902   -2.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1429   -1.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6507   -1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7200   -0.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5986    0.6327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9850    2.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5071    2.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3857    0.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9993    2.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0908    0.4797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4772    1.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9694    1.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4616    1.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3402    2.7582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0752    0.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    0.0207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1966   -1.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7868   -2.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5464   -1.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7044   -0.8891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8258   -2.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336   -1.9518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4550   -3.1676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 17 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 29 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
  9  4  1  0
 20 14  1  0
 32 22  1  0
 20  8  1  0
 34 16  1  0
M  END
$$$$
Mol_1899
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -4.5834   -1.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2426   -0.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1546    1.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4074    1.9199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8138    1.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5610    0.9424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6490   -0.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9898   -1.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0779   -2.7248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6038   -1.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5157   -2.8773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9446   -0.7075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1973   -1.5324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5382   -0.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6262    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3734    1.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0326    0.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7798    1.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8679    3.1123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  7 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
  8  2  1  0
 17 12  1  0
 18  6  1  0
M  END
$$$$
Mol_1900
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -4.2649   -2.3384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0863   -0.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2868    0.0503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7072   -0.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5286    1.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7291    2.1296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1495    1.8203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9709    3.3096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0510    0.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1276   -0.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5067   -1.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6853   -2.6477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0729   -1.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8943   -2.9571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4520   -0.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6525   -1.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0316   -1.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2102    0.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0097    1.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6306    0.6116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4301    1.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6087    3.0003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  2  0
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 10 13  1  0
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 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 11  4  1  0
 20 15  1  0
 21  9  1  0
M  END
$$$$
Mol_1901
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -4.2053   -1.1262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7058   -1.0887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9885    0.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7707    1.5086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4890    0.2662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2283    1.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5539    2.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7279    1.6211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5101    0.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0096    0.3787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7928   -0.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5751   -2.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2933   -1.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4240   -2.3310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 13  5  1  0
M  END
$$$$
Mol_1902
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -5.0703   -1.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7693   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7655    0.6846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4645    1.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4607    2.9313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1674    0.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1712   -0.8220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4722   -1.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1259   -1.5753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1220   -3.0753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4268   -0.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7239   -1.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7201   -3.0820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0249   -0.8353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0287    0.6647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7316    1.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7354    2.9180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4307    0.6713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1335    1.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1374    2.9247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
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  7  9  1  0
  9 10  2  0
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 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
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 18 19  1  0
 19 20  2  0
  8  2  1  0
 18 11  1  0
 19  6  1  0
M  END
$$$$
Mol_1903
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.3888    0.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1623   -0.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8012   -0.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5088   -0.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6877   -2.2270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6085    0.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0802   -0.0077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9782    1.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5111    1.4646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9  3  1  0
M  END
$$$$
Mol_1904
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
    5.0671   -2.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9274   -1.3468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5641   -0.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3406   -1.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9773   -0.9631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8376    0.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0611    1.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9214    2.8916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4244    0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6479    1.6401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0111    1.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5257    1.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6654    2.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7492    0.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1962   -1.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2522    2.4075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0287    3.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2462   -1.8309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1065   -3.3244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
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 12 14  1  0
 14 15  2  0
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 19 20  1  0
 19 21  2  0
 21 22  1  0
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 15 24  1  0
 24 25  2  0
  9  3  1  0
 21 14  1  0
 24  5  1  0
M  END
$$$$
Mol_1905
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -7.4075    1.5519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8037    0.1787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3127    0.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4254    1.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9344    1.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3306   -0.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8396   -0.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2358   -1.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2552   -2.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8590   -3.3860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1425   -0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6336   -0.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2373   -2.3402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5208    0.2423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0119    0.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9171    1.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8044    2.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4260    1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8223    3.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5388    0.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0477    0.7334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2179   -1.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7089   -1.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  9 10  2  0
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 11 12  2  0
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 14 15  1  0
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 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
  6 22  1  0
 22 23  2  0
 23  3  1  0
 21  7  1  0
 20 11  1  0
M  END
$$$$
Mol_1906
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16  2  1  0
  8  3  1  0
 16 11  1  0
M  END
$$$$
Mol_1907
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.5714    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0714   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1786   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9286    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1786    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
M  END
$$$$
Mol_1908
     RDKit          2D

 32 37  0  0  0  0  0  0  0  0999 V2000
    5.0235   -3.0128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2128   -1.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9003   -0.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3986   -0.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0862    0.9867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2754    2.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7771    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0896    0.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5912    0.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7805    2.0353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9037   -0.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7145   -1.8219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0269   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5286   -3.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2822   -1.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4054   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4054    0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2822    1.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5286    3.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0269    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7145    1.8219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9037    0.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5912   -0.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7805   -2.0353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0896   -0.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7771   -2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2754   -2.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0862   -0.9867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3986    0.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9003    0.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2128    1.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0235    3.0128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
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 17 18  2  0
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 31 32  2  0
 12  2  1  0
 22 17  1  0
 30 25  1  0
  8  3  1  0
 16 11  1  0
 31 21  1  0
M  END
$$$$
Mol_1909
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -5.1962   -1.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -1.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    1.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    2.6842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -1.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -1.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -1.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -1.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -1.8158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    2.6842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 10 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 13  2  1  0
 12  6  1  0
 18  9  1  0
M  END
$$$$
Mol_1910
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    6.9435   -0.1938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6127    0.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3480   -0.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0171    0.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7524   -0.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4216    0.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8431   -0.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1740    0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4387   -0.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7695    0.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8357    1.5381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0342   -0.7670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
M  END
$$$$
Mol_1911
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -3.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    2.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    2.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18  2  1  0
  9  3  1  0
 18 12  1  0
M  END
$$$$
Mol_1912
     RDKit          2D

 40 44  0  0  0  0  0  0  0  0999 V2000
   -3.0110    5.4891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9089    3.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5619    3.3327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4598    1.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1128    1.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0107   -0.3202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2557   -1.1569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3363   -0.9801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5813   -0.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284   -0.8033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1734    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2146   -1.9463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5616   -2.6062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.5010    3.8158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
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 13 14  1  0
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 17 18  2  0
 11 19  2  0
 19 20  1  0
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 20 22  1  0
 22 23  2  0
 23 24  1  0
  4 25  1  0
 25 26  1  0
 26 27  1  0
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 31 32  1  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 25 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  1  0
 39  2  1  0
 23  5  1  0
 35 27  1  0
 22  9  1  0
 18 12  1  0
M  END
$$$$
Mol_1913
     RDKit          2D

 34 36  0  0  0  0  0  0  0  0999 V2000
    3.4279   -4.0614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8208   -3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0354   -2.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8570   -1.0923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0715    0.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8931    1.3204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5001    0.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3217    1.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5362    3.1766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6422    4.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4276    5.5892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0351    3.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2135    4.4762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8571    0.0225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2501   -0.5340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4285    0.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8215   -0.1624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4646   -2.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8576   -2.5751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2862   -2.9467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5007   -4.4313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8933   -2.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7148   -3.3183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4644    0.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6790    2.4334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6429    0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0358    0.5772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4283   -1.4639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6067   -2.3919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
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 21 22  1  0
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 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
  5 29  1  0
 29 30  1  0
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 31 32  1  0
 31 33  1  0
 33 34  1  0
 33  3  1  0
 16  8  1  0
 27 18  1  0
M  END
$$$$
Mol_1914
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -5.0276   -0.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6021   -0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2937    1.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8682    1.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5597    3.3166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7511    0.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0595   -0.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4850   -1.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7935   -2.5552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0575   -1.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2509   -3.0894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4830   -1.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6001   -2.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0256   -1.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3340   -0.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2170    0.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5254    2.2481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7915    0.3133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6744    1.3144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828    2.7824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  7 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  2  0
  8  2  1  0
 18 12  1  0
 19  6  1  0
M  END
$$$$
Mol_1915
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
    4.7671   -3.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7131   -1.7641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3879   -1.0614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -1.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7915   -1.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    0.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0087    1.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9547    2.6394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2259    3.4357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3339    0.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6051    1.2339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9303    0.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5877    1.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6417    2.5459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8589    0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8048   -1.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0760   -2.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4012   -1.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6724   -2.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4552    0.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7804    0.8597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1841    0.9533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2381    2.4523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9669    3.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4796   -1.9512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4256   -3.4503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
  7 10  2  0
 10 11  1  0
 11 12  1  0
  6 13  1  0
 13 14  2  0
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 22 23  1  0
 23 24  1  0
 16 25  1  0
 25 26  2  0
 10  3  1  0
 22 15  1  0
 25  5  1  0
M  END
$$$$
Mol_1916
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -4.9417   -2.0212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6194   -0.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7269    0.4554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1895   -0.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8672    1.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4374    1.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1151    3.2805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3298    0.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6521   -0.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0820   -1.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4554   -1.6726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1331   -3.1376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8853   -1.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9928   -2.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4227   -1.7775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7450   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9597    2.1640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2076    0.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    1.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4223    2.7223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  2  0
 10  4  1  0
 19 13  1  0
 20  8  1  0
M  END
$$$$
Mol_1917
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.8112   -0.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4985    0.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2136   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9009    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6159   -0.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3033    0.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0183   -0.3718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7056    0.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4207   -0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1080    0.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1770   -0.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4896    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7746   -0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0873    0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3722   -0.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6849    0.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9699   -0.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2825    0.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3102    1.6142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5675   -0.6594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8802    0.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  1  0
 11 12  1  0
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 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
M  END
$$$$
Mol_1918
     RDKit          2D

 41 45  0  0  0  0  0  0  0  0999 V2000
   -3.2398    5.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1442    3.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8001    3.3311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7045    1.8342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3603    1.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2648   -0.3285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5134   -1.1597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0794   -0.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3280   -0.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6722   -0.8287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9208    0.0025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2650   -0.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3606   -2.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7047   -2.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9534   -1.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2975   -2.6604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8578   -0.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1064    0.3335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5136    0.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7927    3.4966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.8521   -3.8189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2593   -3.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1637   -5.1504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0106   -2.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6665   -3.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2973    1.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5459    0.8374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3929    3.1656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7370    3.8313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  2  0
 11 20  2  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
  4 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 26 38  1  0
 38 39  2  0
 38 40  1  0
 40 41  1  0
 40  2  1  0
 24  5  1  0
 36 28  1  0
 23  9  1  0
 19 12  1  0
M  END
$$$$
Mol_1919
     RDKit          2D

 24 23  0  0  0  0  0  0  0  0999 V2000
   12.3909    3.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9184    3.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4300    2.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9575    1.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4690    0.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9966    0.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5081   -1.3822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0356   -1.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5472   -3.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0747   -3.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0907   -2.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6182   -2.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3658   -1.3944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8382   -1.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8222   -0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2947   -0.8344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2787    0.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7511    0.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2396   -1.4066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7351    1.1438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2076    0.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1916    1.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6641    1.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6481    2.8359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
M  END
$$$$
Mol_1920
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.9525   -3.2197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3960   -1.8267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0886   -1.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6451   -0.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1297   -0.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6862    1.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1708    1.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7273    2.9956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0989    0.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5424   -0.9687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4704   -2.1471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0578   -1.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2829    0.9591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7675    0.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6956    1.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1802    1.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1082    2.8870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7367    0.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8086   -0.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3651   -2.2558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3240   -0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
  4 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 21  2  1  0
 12  5  1  0
 21 14  1  0
M  END
$$$$
Mol_1921
     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
    9.7517   -2.1453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1161   -0.7866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6217   -0.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7628   -1.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2683   -1.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6328   -0.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1383   -0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5028    1.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0083    1.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3728    2.5756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1217    2.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7572    4.0632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9805    1.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3450    0.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2039   -1.1137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6983   -0.9847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3339    0.3740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8283    0.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4639    1.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6050    3.0914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6872   -0.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1817   -0.5979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0517   -2.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9106   -3.3153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5572   -2.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9217   -3.5732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1494   -0.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917    0.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9861    0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8450    1.9308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
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 11 13  2  0
 13 14  1  0
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 14 27  2  0
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 28 29  2  0
 29 30  1  0
 29  3  1  0
 27  9  1  0
 25 16  1  0
M  END
$$$$
Mol_1922
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -3.6494    0.0466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2850    0.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1426    2.1631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7783    2.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4437    1.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3013    0.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0630   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2054   -1.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5698   -2.3165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0166   -2.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3810   -1.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5233   -0.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8877    0.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1097   -0.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0301    1.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  6
  7  8  1  0
  8  9  1  1
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  6
 13 14  1  0
 13 15  1  0
  7  2  1  0
  8  5  1  0
 12  6  1  0
M  END
$$$$
Mol_1923
     RDKit          2D

 46 51  0  0  0  0  0  0  0  0999 V2000
   -0.1340   -4.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9861   -3.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6820   -2.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7422   -1.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8622   -2.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2863   -2.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5904   -0.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0145   -0.2469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7104   -1.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1345   -1.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5586   -0.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6786   -1.7714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8627    0.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2868    1.1663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7427    1.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0315    3.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9198    2.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7032    4.1070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3186    1.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1986    2.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7745    1.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4704    0.2798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3504    1.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0463   -0.1912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3778   -0.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0737    0.8066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4979    0.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020   -1.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8261    3.3845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4102   -4.0711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7143   -5.5399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
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 17 18  1  0
 15 19  1  0
 19 20  1  0
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 22 24  1  0
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 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 34 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 28 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 45  2  1  0
 28  3  1  0
 41 32  1  0
 24  4  1  0
 22  7  1  0
 19  8  1  0
M  END
$$$$
Mol_1924
     RDKit          2D

 47 52  0  0  0  0  0  0  0  0999 V2000
   -2.3350   -6.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2058    0.4913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4550    1.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6096    3.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.2025    3.8129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4736   -5.6027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  1
  6  7  2  0
  6  8  1  0
  9  8  1  1
  9 10  1  0
 10 11  1  0
 11 12  1  1
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 11 14  1  0
 14 15  1  6
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 18 19  1  6
  5 20  1  0
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 27 26  1  1
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 28 29  1  1
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 30 31  1  0
 31 32  1  6
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 44  5  1  0
 18  9  1  0
 42 22  1  0
 42 27  1  0
 39 28  1  0
M  END
$$$$
Mol_1925
     RDKit          2D

 47 52  0  0  0  0  0  0  0  0999 V2000
   -1.3994   -5.9952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2705   -4.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3891   -2.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0352   -1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2714   -0.9337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6253   -1.5795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1538    0.5617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2723    2.9066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5085    3.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3909    5.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0370    5.8974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8624    3.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0986    3.9600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9800    1.6150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3196   -4.9778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
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 46 47  1  0
 46  2  1  0
 45  6  1  0
 19 10  1  0
 43 23  1  0
 43 28  1  0
 40 29  1  0
M  END
$$$$
Mol_1926
     RDKit          2D

 46 51  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1927
     RDKit          2D

 54 60  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1928
     RDKit          2D

 45 50  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1929
     RDKit          2D

 46 51  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1930
     RDKit          2D

 46 51  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1931
     RDKit          2D

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M  END
$$$$
Mol_1932
     RDKit          2D

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M  END
$$$$
Mol_1933
     RDKit          2D

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M  END
$$$$
Mol_1934
     RDKit          2D

 24 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1935
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 25  5  1  0
M  END
$$$$
Mol_1936
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1937
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1938
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1939
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
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    4.2090    0.0844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5893    0.6715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7711    2.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0104    0.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1921    2.4752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
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 10 11  1  0
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 13 14  2  0
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 15 16  1  0
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 21 22  1  0
 20 23  2  0
 23 24  1  0
  8  3  1  0
 23 13  1  0
M  END
$$$$
Mol_1940
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -6.4600   -0.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0928   -1.2930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8748   -0.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0240    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8060    1.9505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9552    3.4431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4388    1.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2896   -0.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5076   -1.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3584   -2.5271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1792   -2.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7316    1.8504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9495    2.7259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1464    1.5919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    2.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3701    3.7015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
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  9 10  1  0
 10 11  1  0
  8 12  1  0
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 13 14  1  0
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 17 18  2  0
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 20 21  1  0
 21 22  1  0
 13 23  1  0
 23 24  1  0
 24 25  2  0
  9  3  1  0
 20 14  1  0
 24  7  1  0
M  END
$$$$
Mol_1941
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -4.6507   -2.9061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5300   -1.9090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8332   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2570    0.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5601    1.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4394    2.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0156    2.0261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    0.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2887    0.0851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9856   -1.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4383   -1.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7414   -3.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5589   -0.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9827   -1.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2859   -2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7097   -3.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8002    1.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9209    2.1322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3764    1.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0733    3.0762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1940    4.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2558    0.6101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1680    1.0821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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 20 23  2  0
 23 24  1  0
  8  3  1  0
 24  9  1  0
 23 13  1  0
M  END
$$$$
Mol_1942
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -4.3837   -3.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2376   -2.2573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5025   -0.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9136   -0.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1785    1.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0323    2.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6213    1.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4751    2.6308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7400    4.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3563    0.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9453   -0.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6803   -1.7984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7307   -2.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9957   -3.7836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8769   -1.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5529   -3.3248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4341   -0.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1692    0.5957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3154    1.5634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7581    1.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4932    2.5809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6394    3.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6120    0.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2009    0.6456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
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 13 14  2  0
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 21 22  1  0
 22 23  1  0
 21 24  2  0
 24 25  1  0
 10  3  1  0
 25 11  1  0
 24 15  1  0
M  END
$$$$
Mol_1943
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.7756   -4.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4183   -3.1157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5014   -2.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9416   -2.4970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2989   -3.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1441   -0.6211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2962   -0.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6534    1.2548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0937    1.6738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1767    0.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6170    1.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7001    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3428   -1.4396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1403    0.4362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4296    2.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8699    1.8735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2271    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7231    0.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2903    1.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1450    2.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2554    4.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
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 12 14  1  0
  8 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 17  6  1  0
 20 16  1  0
M  CHG  1   8   1
M  END
$$$$
Mol_1944
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -3.0866   -4.6251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3174   -3.3373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0481   -2.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5480   -2.0051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3171   -3.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2790   -0.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7792   -0.7617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0100    0.5261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4898    0.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2205   -0.8061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7203   -0.8283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4895    0.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2589    1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7588    1.7695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2277    2.9877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8941    4.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  2  0
  7  8  1  0
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  9 10  1  0
 10 11  1  0
 11 12  2  0
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 22 23  1  0
 23 24  1  0
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 25 26  1  0
 22  6  1  0
 16 11  1  0
 25 21  1  0
M  CHG  1   8   1
M  END
$$$$
Mol_1945
     RDKit          2D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -5.1493    2.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6000   -0.6800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  2  0
 15 16  1  0
 16 17  1  0
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 23 24  1  0
 20 25  1  0
 25 26  1  0
 26 27  2  0
 26  3  1  0
 20  7  1  0
 23  8  1  0
 19 10  1  0
M  END
$$$$
Mol_1946
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -5.4184   -2.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5997   -1.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2788    0.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4601    1.3523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8401    1.9403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1207    2.8134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9623    1.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2832   -0.0657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8348   -0.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3322    0.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7318   -0.0531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8989    0.8893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6663    2.3711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2985    0.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5311   -1.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9307   -1.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0977   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7584   -1.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1595   -2.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1019   -1.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  4  7  1  0
  7  8  1  0
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 10 11  1  0
 11 12  1  0
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 14 15  2  0
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 16 17  2  0
 17 18  1  0
 18 19  2  0
  9 20  1  0
 20 21  1  0
 21 22  1  0
 22  2  1  0
 22  8  1  0
 19 14  1  0
M  CHG  1   4   1
M  END
$$$$
Mol_1947
     RDKit          2D

 36 41  0  0  0  0  0  0  0  0999 V2000
    4.0810   -4.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2409   -3.0947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -2.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6576   -2.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4459   -1.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9257   -2.5408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6058   -0.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6058    0.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4459    1.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9257    2.5408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6576    2.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0292    2.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2409    3.0947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0810    4.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7206   -1.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0922   -1.9869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3039   -1.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6755   -1.7099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1440    0.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7724    0.9960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5607    0.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9774    0.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1891   -0.7191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5607   -0.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7724   -0.9960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1440   -0.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3039    1.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6755    1.7099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0922    1.9869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7206    1.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5089    2.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1373    1.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
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 13 14  1  0
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 16 17  1  0
 17 18  2  0
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  7 26  1  0
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 27  3  1  0
 34 28  1  0
 16  8  1  0
 25 19  1  0
 36 26  1  0
 25 15  1  0
M  END
$$$$
Mol_1948
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.7120   -3.6864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8487   -2.4598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4794   -1.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9733   -0.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6040    0.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0979    0.5309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7406    1.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2467    1.4888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6160    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8779   -0.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5086   -1.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0026   -1.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8659   -0.2752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3599   -0.4095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2352    1.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7413    1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1106    2.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    2.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
  9  3  1  0
 16 10  1  0
 18  8  1  0
M  END
$$$$
Mol_1949
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -5.6455   -2.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1473   -2.2239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4610   -0.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2729    0.3711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5867    1.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3986    2.9662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0884    1.7775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2765    0.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2218    0.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0337   -0.6725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5320   -0.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3439   -1.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8422   -1.7886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5285   -0.4548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7165    0.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4028    2.1402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2183    0.7339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9628   -0.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
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 13 14  2  0
 14 15  1  0
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 15 17  2  0
  8 18  2  0
 18  3  1  0
 17 11  1  0
M  END
$$$$
Mol_1950
     RDKit          2D

 36 41  0  0  0  0  0  0  0  0999 V2000
   -9.6072   -0.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4606   -0.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0498   -0.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7855    1.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3747    1.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2281    0.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4923   -0.9316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9031   -1.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3457   -1.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9349   -1.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6706    0.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8172    1.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5530    2.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6996    3.4981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8551   -0.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  6  7  1  0
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 10 11  1  0
 11 12  2  0
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 35 36  2  0
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 18 11  1  0
 27 19  1  0
 36 30  1  0
 12  6  1  0
 36 26  1  0
M  END
$$$$
Mol_1951
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -5.7152    0.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8656   -0.3105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7245    1.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2291    1.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    2.6326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3795    0.0425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0253   -1.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5207   -1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1757   -2.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3197   -2.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9655   -1.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4608   -0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 12  1  0
 18  7  1  0
M  END
$$$$
Mol_1952
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -5.6455   -2.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1473   -2.2239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4610   -0.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2729    0.3711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5867    1.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3986    2.9662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0884    1.7775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2765    0.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2218    0.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0337   -0.6725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3439   -1.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8422   -1.7886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7165    0.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4028    2.1402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2183    0.7339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9628   -0.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
  8 18  2  0
 18  3  1  0
 17 11  1  0
M  END
$$$$
Mol_1953
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -5.2900   -1.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6303   -0.4468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1338   -0.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2969   -1.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8004   -1.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0364   -2.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5329   -2.6295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1926   -1.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6891   -1.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3487    0.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8452    0.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5119    1.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0154    1.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3557   -0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9777    1.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3180    2.4522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1549    3.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4742    1.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3110    2.2476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
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 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  2  0
 19 20  1  0
 19  3  1  0
 15  5  1  0
 14  8  1  0
M  END
$$$$
Mol_1954
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -6.5930   -0.4655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1158   -0.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6031    1.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1259    1.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1615    0.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6843    0.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2801   -0.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7572   -0.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7216   -1.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1988   -1.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1632   -2.3476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7115    0.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7471    1.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2599    2.7695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2700    1.0991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6743   -1.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1514   -1.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
  5 16  1  0
 16 17  2  0
 17  2  1  0
 15  8  1  0
M  END
$$$$
Mol_1955
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -4.2428   -2.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7463   -0.6231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2722   -0.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2947   -1.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1794   -1.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1569   -2.3432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6310   -2.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1275   -0.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6016   -0.3724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500    0.4876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6759    0.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3016    1.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1950    2.7631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6690    3.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7757    1.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7532    2.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
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  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  2  0
 15 16  1  0
 15  3  1  0
 11  5  2  0
M  END
$$$$
Mol_1956
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.4665    0.2305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9915    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0177   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5427   -0.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0416    1.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4334    1.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4072    0.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8822    0.4540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9061   -1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4311   -1.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10  4  1  0
M  END
$$$$
Mol_1957
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -3.0231    4.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1397    3.2670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8305    1.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4048    1.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0957   -0.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6700   -0.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4466    0.4006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8724   -0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1815   -1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6072   -1.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9163   -3.4673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3421   -3.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7238   -0.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5312    1.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2221    2.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7964    3.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4873    4.8733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6798    2.4039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9889    0.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0649   -2.5350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3608   -2.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4774   -3.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1683   -4.5382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2123   -1.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.7546   -1.6718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1803   -1.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9471    0.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3728    1.2638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  6  7  1  0
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 10 11  1  0
 11 12  1  0
 10 13  2  0
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  9 21  1  0
 21 22  1  0
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 23 24  1  0
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 27 28  1  0
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 29 30  1  0
 29  3  1  0
 22  6  1  0
 20  8  1  0
 20 14  2  0
M  END
$$$$
Mol_1958
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -3.9055   -1.3422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6679   -0.4947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7830    1.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5454    1.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1926    1.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0450    2.0478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3978    1.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5129   -0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8657   -0.7439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2753   -0.9433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3904   -2.4389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0775   -0.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3151   -1.1428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8 10  1  0
 10 11  1  0
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 12 13  1  0
 13  2  1  0
 12  5  1  0
M  END
$$$$
Mol_1959
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -7.4681    1.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9686    2.0192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1857    0.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6862    0.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9033   -0.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4038   -0.4633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4914   -1.6539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9228   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2406   -1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2789   -3.3703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5966   -4.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5201   -1.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4818    0.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7613    1.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0791    0.4779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3585    1.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.9023   -0.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4018   -0.6163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
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 13 19  1  0
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  5 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 26  3  1  0
 21  6  1  0
 20  8  1  0
M  END
$$$$
Mol_1960
     RDKit          2D

 39 42  0  0  0  0  0  0  0  0999 V2000
   -1.5387   -3.8460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0305   -3.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9120   -4.9032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6408   -2.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1326   -2.1627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7430   -0.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2348   -0.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1163   -1.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8451    0.7342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8615    0.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3697    0.2646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4882    1.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9964    1.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1149    2.5354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3851    2.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3889    1.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8561    1.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8600    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3967   -0.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9295   -1.1201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4663   -2.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9991   -2.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0048   -1.7443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4701   -3.6613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0069   -5.0880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9373   -3.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9412   -4.4637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4006   -1.9225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8678   -1.6104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3194    3.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7866    3.4720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3155    4.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8483    3.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6347    4.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5787    3.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0054    4.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1199    3.4213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3175    5.8924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7594   -1.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  6 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 17 30  2  0
 30 31  1  0
 30 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  2  0
 36 38  1  0
 11 39  2  0
 39  4  1  0
 35 14  1  0
 33 15  1  0
 28 19  1  0
M  END
$$$$
Mol_1961
     RDKit          2D

 39 42  0  0  0  0  0  0  0  0999 V2000
   -9.3506    1.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8773    1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3849    2.9065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8965    0.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4233    0.6367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4425   -0.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9692   -0.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4767    1.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0035    1.4825    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0906    0.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0600   -1.0434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3435   -1.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3130   -3.3193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6576   -1.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9411   -1.8725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2551   -1.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5386   -1.9254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8526   -1.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1361   -1.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1056   -3.4780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8832    0.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    1.0211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5997    1.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6302    2.5736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2856    0.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0021    1.1268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6881    0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4046    1.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1227    2.6530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3656    2.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0890    4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5887    4.1847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3127    5.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9350   -1.9151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4082   -2.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9007   -3.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9199   -4.7488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3740   -3.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3890   -1.0621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 16 15  1  1
 16 17  1  0
 17 18  1  0
 18 19  1  1
 19 20  1  0
 18 21  1  0
 21 22  1  6
 21 23  1  0
 23 24  1  1
 23 25  1  0
 25 26  1  6
 14 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 30 31  1  6
 31 32  2  0
 31 33  1  0
  6 34  1  0
 34 35  1  0
 35 36  1  1
 36 37  2  0
 36 38  1  0
 35 39  1  0
 39  4  1  0
 30  9  1  0
 28 10  1  0
 25 16  1  0
M  CHG  1   9   1
M  END
$$$$
Mol_1962
     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -1.1357    2.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5078    1.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7187    2.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6689    0.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4580   -0.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5728    0.7116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2471   -1.3846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -0.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2862    0.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6583    1.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8692    0.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2413    1.0397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7080   -1.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3359   -1.6638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3433   -1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7372   -3.0824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8346   -1.5491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
  5 15  1  0
 15 16  2  0
 15 17  1  0
 14  8  1  0
M  END
$$$$
Mol_1963
     RDKit          2D

 39 42  0  0  0  0  0  0  0  0999 V2000
  -10.0540    1.0037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6619    1.5623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4496    3.0472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4820    0.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0900    1.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9101    0.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5180    0.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3382   -0.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9461    0.4594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3241   -0.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5811   -1.8163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9894   -2.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2464   -3.8105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1408   -1.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5491   -1.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7004   -0.9261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1087   -1.4425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2601   -0.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6684   -0.9973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9254   -2.4752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0031    0.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1544    1.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5948    1.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3378    2.9910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4434    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0351    1.0681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8838    0.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4754    0.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9168    2.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5798    1.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5412    3.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0191    2.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0249    4.4736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1224   -1.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5145   -1.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7267   -3.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.6943   -0.8489    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 14 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  2  0
 31 33  1  0
  6 34  2  0
 34 35  1  0
 35 36  1  0
 36 37  2  0
 36 38  1  0
 35 39  2  0
 39  4  1  0
 30  9  1  0
 28 10  1  0
 25 16  1  0
M  END
$$$$
Mol_1964
     RDKit          2D

 39 42  0  0  0  0  0  0  0  0999 V2000
   -8.1163   -1.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2348   -0.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8451    0.7342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7430   -0.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8615    0.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3697    0.2646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4882    1.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9964    1.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1149    2.5354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3851    2.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3889    1.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8561    1.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8600    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3967   -0.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9295   -1.1201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4663   -2.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9991   -2.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0048   -1.7443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4701   -3.6613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0069   -5.0880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9373   -3.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9412   -4.4637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4006   -1.9225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8678   -1.6104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3194    3.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7866    3.4720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3155    4.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8483    3.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6347    4.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5787    3.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0054    4.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1199    3.4213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3175    5.8924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7594   -1.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6408   -2.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0305   -3.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1326   -2.1627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
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 13 14  1  0
 14 15  1  0
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 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 12 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  2  0
 31 33  1  0
  6 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  2  0
 36 38  1  0
 35 39  1  0
 39  4  1  0
 30  9  1  0
 28 10  1  0
 23 14  1  0
M  CHG  2   9   1  33  -1
M  END
$$$$
Mol_1965
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
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   -6.8690    1.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8366   -0.5988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3532   -0.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8041   -2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7385   -3.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3207   -2.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6288   -3.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8508   -3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0732   -2.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4849    1.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1429    1.7815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2337    0.2842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8916    0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3596    0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7017    0.7969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4513    1.9706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0003    3.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9679    1.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
  3 29  1  0
 29 30  1  0
 29 31  1  0
 27  8  1  0
 27 11  1  0
 23 12  1  0
 21 16  1  0
M  END
$$$$
Mol_1966
     RDKit          2D

 29 31  0  0  0  0  0  0  0  0999 V2000
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   -5.5063    2.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6374    3.4867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3886    0.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7642   -0.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2709   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4019    0.4766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0914    0.3354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9604    1.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4537    1.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0781    0.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417   -1.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5485   -0.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2050    4.1446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1573    3.0631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1265   -1.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9955   -2.9090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3711   -4.2729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4888   -2.7678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7509   -0.3225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 10 21  1  0
 21 22  2  0
 21 23  1  0
  6 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 25 29  1  0
 29  4  1  0
 20 12  1  0
 20 15  1  0
M  END
$$$$
Mol_1967
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -7.4428    2.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9917    1.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5272    1.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0762   -0.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6117   -0.6095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1607   -2.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1740   -3.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6962   -2.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0981   -3.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3950   -3.5965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7197   -2.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0252   -1.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3046   -3.6546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6232   -1.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9649    3.6822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0494    1.9270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
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 16 17  1  0
 17 18  1  0
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 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  6
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  6
  3 29  1  0
 29 30  1  0
 29 31  1  0
 27  8  1  0
 27 11  1  0
 24 12  1  0
 22 16  1  0
M  END
$$$$
Mol_1968
     RDKit          2D

 35 38  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 22 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
  5 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 34  3  1  0
 18  6  2  0
 30 20  1  0
 15  8  1  0
M  END
$$$$
Mol_1969
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
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  -12.2169    0.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8257    0.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5379   -0.4352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7721    0.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0598   -0.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3699    0.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6576   -0.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9677    0.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2554   -0.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5655    0.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8532   -0.5894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1632    0.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1855    1.6411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4510   -0.6280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
M  END
$$$$
Mol_1970
     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -4.0117    3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9091    1.8703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5619    1.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3172    2.0479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4593   -0.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1120   -0.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4526    0.4022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2353   -1.6045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4800   -0.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3774    0.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6221    1.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9694    0.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2141    1.7438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0720   -0.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8273   -1.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7714   -2.2924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9344   -3.5371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2679   -2.3949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
  6 16  1  0
 16 17  2  0
 16 18  1  0
 15  9  1  0
M  END
$$$$
Mol_1971
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
   -9.8352   -0.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7753   -1.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3261   -0.8289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2662   -1.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8170   -1.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7571   -2.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1463   -4.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3080   -2.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1429   -3.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1157   -2.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2716   -0.8566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5462    0.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0441    0.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8619    1.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3598    1.4993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0399    0.1623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2221   -1.0952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9022   -2.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0844   -3.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5865   -3.6101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4001   -2.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0802   -3.8486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2179   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7158   -1.3337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5378    0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3556    1.3402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1818    2.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8217    5.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0039    4.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6840    2.9953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8139    3.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1339    1.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6317    1.8173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4495    0.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9474    0.6394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7695   -0.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2675   -0.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9369    0.6197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9969    1.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4878    1.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
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 21 22  1  0
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 25 26  1  0
 14 27  1  0
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 31 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
  3 40  1  0
 40 41  1  0
 40 42  1  0
 38  8  1  0
 38 11  1  0
 34 12  1  0
 25 16  1  0
 32 27  1  0
M  END
$$$$
Mol_1972
     RDKit          2D

 27 31  0  0  0  0  0  0  0  0999 V2000
    7.3777    0.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4087   -0.7048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9326   -0.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4255    0.9737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9494    1.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9804    0.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4874   -1.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9635   -1.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4706   -2.9947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4810    0.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1075   -1.2405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5966   -1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1851   -2.8005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2845   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4973   -0.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9088    1.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8094    2.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2985    2.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8870    0.7981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9864   -0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8489   -1.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2826   -1.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3062    0.3123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4196    1.3387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0433    2.7908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3265    3.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6584    2.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  6 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
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 20 21  1  0
 21 22  1  0
 22 23  1  0
 16 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
  8  3  1  0
 24 10  1  0
 27  5  1  0
 20 15  1  0
 23 19  1  0
M  END
$$$$
Mol_1973
     RDKit          2D

 22 26  0  0  0  0  0  0  0  0999 V2000
   -4.8942   -2.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3951   -2.6191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6006   -1.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3051   -0.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5106    1.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0115    1.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2169    2.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822    2.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9867    1.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4858    1.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1904   -0.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3958   -1.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1004   -2.8789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8967   -1.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1922   -0.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069   -0.1265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2595    0.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4118    1.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3045    1.8020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4206    3.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1015   -1.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0808   -2.3220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
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 16 21  1  0
 21 22  1  0
 21  3  1  0
 16  6  1  0
 19  7  1  0
 15  9  1  0
 22 14  1  0
M  END
$$$$
Mol_1974
     RDKit          2D

 32 34  0  0  0  0  0  0  0  0999 V2000
    6.7907   -2.9133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1050   -1.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6068   -1.5060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7943   -2.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2961   -2.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6104   -1.3595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1122   -1.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7003   -2.5472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5735    0.0478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9449    2.7160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3658    3.9037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 30 31  1  0
 31 32  1  0
 30  3  1  0
 20 10  1  0
 25 18  1  0
M  END
$$$$
Mol_1975
     RDKit          2D

 22 26  0  0  0  0  0  0  0  0999 V2000
   -5.3347   -1.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625   -1.6939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8776   -0.5626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3650    0.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3801    1.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9078    1.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4205    0.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4054   -0.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6337   -2.1361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8281   -1.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0562   -2.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9244   -4.1552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4161   -2.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5479   -0.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3198    0.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4516    1.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3633    2.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1620    1.9856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3553    4.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4367    1.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3664    0.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9599   -0.3055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
  8  3  1  0
 22 10  1  0
 17  6  1  0
 22  7  1  0
 22 15  1  0
M  END
$$$$
Mol_1976
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -3.1467   -2.1117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9155   -0.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0834    0.3117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5164   -0.0888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2852    1.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1139    1.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3451    3.4162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2818    0.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6809    1.5337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0506   -0.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2185   -1.4305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6176   -0.8896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9873   -2.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3485   -1.0300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 10 14  1  0
 14  4  1  0
M  END
$$$$
Mol_1977
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -1.8419   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5305   -2.4759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5056   -0.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8057   -0.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8307    1.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4557    2.0235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7671    1.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7920   -0.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2261   -0.6444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0875    0.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1857    1.7824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1420    1.9803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4284    1.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4034   -0.2910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6898   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0921   -1.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  5 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
  8  3  1  0
 16  4  1  0
 11  7  1  0
M  END
$$$$
Mol_1978
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -7.4892    0.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6118   -0.5149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1195   -0.3633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5046    1.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0123    1.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1348   -0.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7497   -1.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2421   -1.5799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8570   -2.9481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6425    0.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2349   -1.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7272   -0.9736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6046   -2.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0970   -2.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7119   -0.6705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -0.5189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0816   -1.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8344    0.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4493    1.9143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417    2.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3421    0.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0276    1.4596    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4647    1.6112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9051    2.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3974    2.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  6 10  1  0
 10 11  1  0
 11 12  1  0
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 13 14  1  0
 14 15  2  0
 15 16  1  0
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 15 18  1  0
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 10 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
  8  3  1  0
 21 12  1  0
 25  5  1  0
M  END
$$$$
Mol_1979
     RDKit          2D

 21 25  0  0  0  0  0  0  0  0999 V2000
   -4.3668   -1.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3963   -0.4183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9015    0.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9309    2.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4552    1.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4846    3.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9911    2.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4963    1.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5258    0.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    0.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9205   -0.6869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4154   -2.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0604   -2.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5656   -3.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0413   -4.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0119   -2.9054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5067   -1.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0309   -1.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9957    1.3758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4171    2.8153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1783    3.6610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
  8 19  1  0
 19 20  1  0
 20 21  1  0
 11  2  1  0
 18 13  1  0
 10  5  1  0
 21  7  1  0
 18  9  1  0
M  END
$$$$
Mol_1980
     RDKit          2D

 21 25  0  0  0  0  0  0  0  0999 V2000
   -1.1643   -4.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2055   -2.1126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6547   -1.4506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3060   -0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7970   -0.0425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6890    0.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8354   -0.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2463   -0.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5110    1.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3646    2.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6293    3.6240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9537    1.6385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3688    2.3465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4507    1.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9468    1.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6005    2.7664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    0.1752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1353   -1.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6393   -1.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9855   -2.6338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1532   -2.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
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 17 18  2  0
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 20 21  1  0
 20  2  1  0
 14  5  1  0
 19  5  1  0
 12  6  1  0
 21  7  1  0
M  END
$$$$
Mol_1981
     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
    2.0927    3.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3604    2.6303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1110    2.9223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4729    2.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2052    0.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5836    1.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7851    0.6779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6081   -0.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2296   -1.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0282   -0.5050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0094   -1.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4619   -1.8979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5914   -2.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0912   -2.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8235   -1.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0560    0.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5561    0.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3791    1.5293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0445    1.1884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4229    0.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2864   -0.8968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9700   -1.4403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9887   -0.3393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2564    0.9698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
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  8 24  1  0
 24 25  1  0
 25 26  1  0
 20  2  1  0
 10  5  1  0
 19 14  1  0
 26  7  1  0
 23 17  1  0
M  END
$$$$
Mol_1982
     RDKit          2D

 42 51  0  0  0  0  0  0  0  0999 V2000
    2.3686   -3.7845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5215   -1.9107    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1410   -1.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_1983
     RDKit          2D

 24 28  0  0  0  0  0  0  0  0999 V2000
   -5.9051   -2.3499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8428   -1.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0582   -2.1802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 23  5  1  0
 18  8  1  0
 21  9  1  0
 17 11  1  0
 24 16  1  0
M  END
$$$$
Mol_1984
     RDKit          2D

 21 25  0  0  0  0  0  0  0  0999 V2000
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 14  5  1  0
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 12  6  1  0
 21  7  1  0
M  END
$$$$
Mol_1985
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -6.9821    1.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18  9  1  0
M  END
$$$$
Mol_1986
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_1987
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
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   -2.6791   -0.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1758   -0.6778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8381   -2.0236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0038   -3.2701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
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 14 15  1  0
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 16 17  1  0
 15 18  2  0
 18 19  1  0
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  6 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 24  3  1  0
 22  9  1  0
 22 13  1  0
M  END
$$$$
Mol_1988
     RDKit          2D

 22 26  0  0  0  0  0  0  0  0999 V2000
   -5.3347   -1.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625   -1.6939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8776   -0.5626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3650    0.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3801    1.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9078    1.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4205    0.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4054   -0.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6337   -2.1361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8281   -1.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0562   -2.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9244   -4.1552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4161   -2.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5479   -0.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3198    0.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3553    4.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4367    1.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3664    0.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9599   -0.3055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
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 11 13  1  0
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 16 17  1  0
 16 18  1  0
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 18 20  1  0
 20 21  1  0
 21 22  1  0
  8  3  1  0
 22 10  1  0
 17  6  1  0
 22  7  1  0
 22 15  1  0
M  END
$$$$
Mol_1989
     RDKit          2D

 28 33  0  0  0  0  0  0  0  0999 V2000
    0.8291    4.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8371    3.0071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3790    1.5787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0870    1.2612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5451   -0.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0420   -0.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6778    1.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1722    1.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0309   -0.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3952   -1.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9007   -1.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4746   -2.9306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0845   -3.4942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2229   -2.7587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4527   -3.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4629   -1.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9289   -0.9605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9369   -2.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4029   -1.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8610   -0.3255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8530    0.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3870    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5980    2.0872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2289    0.2898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4660    0.4315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4942    1.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0766    2.4215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
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 17 18  2  0
 18 19  1  0
 19 20  2  0
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 24 25  1  0
  9 26  1  0
 26 27  1  0
 27 28  1  0
 22  3  1  0
 16  5  1  0
 22 17  1  0
 11  6  1  0
 25 20  1  0
 28  8  1  0
M  END
$$$$
Mol_1990
     RDKit          2D

 29 33  0  0  0  0  0  0  0  0999 V2000
    7.0444   -0.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2457    0.7880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7468    0.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9480    2.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4491    1.9438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7489    0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5477   -0.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0466   -0.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8454   -1.8651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1452   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5870   -1.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9544   -3.2588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1945   -1.2468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2946    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574    1.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2654    0.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4174    1.6538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8254    1.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0813   -0.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9293   -1.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5213   -0.7848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3693   -1.7455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4869   -2.6947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9836   -2.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3509   -1.1403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1615    3.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7535    3.6492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6015    2.6885    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8065    3.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  7 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
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 15 16  1  0
 16 17  1  0
 17 18  2  0
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 17 26  1  0
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  8  3  1  0
 28 15  1  0
 14  6  1  0
 21 16  2  0
 25 19  1  0
M  END
$$$$
Mol_1991
     RDKit          2D

 31 33  0  0  0  0  0  0  0  0999 V2000
    1.9914    3.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4947    4.0194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3392    2.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8360    2.8714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6699    1.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1667    1.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0006    0.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3378   -0.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8411   -0.9679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1782   -2.3135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0122   -3.5603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0071    0.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5104    0.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1524   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6815   -2.4123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6492   -1.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3120   -2.6099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8087   -2.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6427   -1.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1394   -1.5607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8022   -2.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9799   -0.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8138    1.1305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1510    2.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4831   -0.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8203    1.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4127   -1.9153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7399   -1.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4852    0.2620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
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 16 17  2  0
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 22 23  1  0
 23 24  1  0
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 26 27  2  0
 26 28  1  0
  8 29  1  0
 29 30  1  0
 30 31  1  0
 12  5  1  0
 25 16  1  0
 31  7  1  0
M  END
$$$$
Mol_1992
     RDKit          2D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -3.0808    3.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8964    1.7194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0934    0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9090   -0.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5276   -1.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3431   -2.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9617   -3.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2352   -2.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0508   -0.9384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3306   -0.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5150    1.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3180    2.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0633    1.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2603    2.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417    1.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8261    0.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2075   -0.2995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292   -0.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8136   -2.1076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2478   -0.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
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 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
 11  2  1  0
 20 13  1  0
 10  5  1  0
 20  9  1  0
M  END
$$$$
Mol_1993
     RDKit          2D

 27 30  0  0  0  0  0  0  0  0999 V2000
    4.7773   -2.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4183   -1.2925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9775   -0.8752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6185    0.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7003    1.6203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1411    1.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1778    0.9985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8188    2.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6220    2.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7038    1.8332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1446    2.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2264    1.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8674   -0.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9492   -1.2841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3900   -0.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4266   -0.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0676   -2.1187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1494   -3.1578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3448    0.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0960   -0.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6480   -0.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4926    0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1889    0.4456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2316    3.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4549   -1.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8957   -1.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2547   -3.3707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 20 25  1  0
 25 26  1  0
 26 27  2  0
 26  3  1  0
 20  7  1  0
 23  7  1  0
 19 10  1  0
M  END
$$$$
Mol_1994
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -7.2381    1.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5732   -0.3053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0764   -0.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2443    0.8463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7475    0.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0826   -0.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5857   -0.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2463    0.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7432    0.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4081   -0.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9050   -0.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5699   -2.3253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7379   -3.5734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7370    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2339    0.1709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8988   -1.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0721    1.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5752    1.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9103    3.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4135    3.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4186    1.9015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9154    1.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9146   -1.8428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4115   -1.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2435   -2.9945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  2  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
  6 23  1  0
 23 24  2  0
 24 25  1  0
 24  3  1  0
 21  8  1  0
 18  9  1  0
M  END
$$$$
Mol_1995
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -3.8971    0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.3214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
M  END
$$$$
Mol_1996
     RDKit          2D

 32 31  0  0  0  0  0  0  0  0999 V2000
  -20.1357   -0.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.8354    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.5376   -0.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2373    0.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9396   -0.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6392    0.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3415   -0.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0412    0.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7434   -0.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4431    0.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1453   -0.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8450    0.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5473   -0.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2470    0.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9492   -0.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6489    0.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6489   -0.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9492    0.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2470   -0.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5473    0.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8450   -0.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1453    0.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4431   -0.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7434    0.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0412   -0.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3415    0.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6392   -0.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9396    0.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2373   -0.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5376    0.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8354   -0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1357    0.3409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
M  END
$$$$
Mol_1997
     RDKit          2D

  2  1  0  0  0  0  0  0  0  0999 V2000
   -0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
M  END
$$$$
Mol_1998
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.9736    6.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4080    4.7720    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8686    4.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8948    5.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3030    2.9947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2769    1.9006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7113    0.4649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1281   -0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0976   -1.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6797   -2.9097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5448   -3.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6712   -5.3852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0240   -3.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5294   -3.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3274   -2.2145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3104   -0.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5464    0.3743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0411    0.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6789   -1.1097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1736   -1.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8114   -2.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9546   -3.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0304   -0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250   -0.1313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3925    1.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2493    2.5839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8979    1.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2600    2.8368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8051   -0.7305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6619   -1.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 16 29  1  0
 29 30  1  0
 29  7  1  0
 30  9  1  0
 30 13  1  0
 27 18  1  0
M  END
$$$$
Mol_1999
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.8748   -0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4825    0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3029   -0.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0893   -0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2689   -0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3020    1.4551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
M  END
$$$$
Mol_2000
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -3.6404    5.9253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6695    4.7820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1939    5.0511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1742    3.3694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2033    2.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7080    0.8135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1474    0.3916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1909   -1.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8405   -2.4598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7554   -3.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9554   -4.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083   -2.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7217   -3.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1948   -2.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3753   -0.6251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5412    0.5624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0278    0.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5979   -1.0251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0845   -1.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6546   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7381   -3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0010   -0.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4876   -0.2376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4309    1.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3475    2.5372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9443    1.5498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3742    2.9372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8619   -0.4251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7784   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 15 28  1  0
 28 29  1  0
 28  6  1  0
 29  8  1  0
 29 12  1  0
 26 17  1  0
M  END
$$$$
Mol_2001
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.8748   -0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4825    0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3029   -0.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0893   -0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2689   -0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3020    1.4551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  6
  4  6  1  0
M  END
$$$$
Mol_2002
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.6313    1.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4951    0.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7751   -1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0789    0.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9427   -0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4735    0.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6097   -0.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7459   -1.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6304   -1.8533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5891    0.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0053    0.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8691    1.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 10  1  0
M  END
$$$$
Mol_2003
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -6.1212    1.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2492    0.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8701   -1.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3631   -1.1558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9980   -2.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5051   -2.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8841   -0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7562    0.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6282    1.7201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1353    1.8651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6423    2.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7702    0.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3911   -0.5758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0121   -1.9413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5191   -1.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9739   -1.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5948   -0.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4669   -1.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878   -0.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9598   -1.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4528   -1.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9053   -1.5907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3363   -2.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0737    0.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2017    1.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7087    1.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3296    2.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8367    2.4451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3437    2.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7228    0.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1493    2.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 21 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
  8  2  1  0
 30 12  1  0
 13  7  1  0
 30 17  1  0
 26 19  1  0
M  END
$$$$
Mol_2004
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
    5.6074   -1.5781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2676   -2.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1818   -3.7501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0136   -1.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6738   -2.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4198   -1.2808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5056    0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7484    1.0398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0882    0.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3422    1.1885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6820    0.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9360    1.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8502    2.8346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7678   -0.9835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1077   -1.6580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5138   -1.8066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5997   -3.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1740   -1.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9200   -1.9553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8454    0.8912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2407    2.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3025    3.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8469    4.9062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7390    2.4093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2698    1.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167    0.6110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0994    0.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
  7 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  2  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 27  4  1  0
 18  9  1  0
 27 20  1  0
M  END
$$$$
Mol_2005
     RDKit          2D

 27 26  0  0  0  0  0  0  0  0999 V2000
  -16.8875   -0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5885    0.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2894   -0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9904    0.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6913   -0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3923    0.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0933   -0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942    0.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952   -0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    0.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952   -0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942    0.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933   -0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923    0.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6913   -0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9904    0.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   -0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5885    0.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8875   -0.3611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
M  END
$$$$
Mol_2006
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -7.2153    0.9787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7161    1.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0085    2.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9246   -0.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4254   -0.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6338   -1.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1346   -1.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3472   -2.9092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4426    0.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3253    1.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1001    0.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2174    1.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6428    1.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7601    2.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4521    3.5795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9508   -0.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3762   -0.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8335   -1.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1415   -2.8261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4081   -0.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2908   -1.8916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 13 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 21  7  1  0
 20 11  1  0
M  END
$$$$
Mol_2007
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
    9.7106    2.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2533    2.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8322    1.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3748    0.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9537   -0.5899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4963   -0.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0752   -2.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6178   -2.7399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5816   -1.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1243   -2.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9120   -0.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3693   -1.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4056   -0.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8629   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8991    0.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3565    0.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3927    1.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9716    2.7019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8501    0.9071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
M  END
$$$$
Mol_2008
     RDKit          2D

 60 59  0  0  0  0  0  0  0  0999 V2000
  -38.3218   -0.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -37.0224    0.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -35.7237   -0.3578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -34.4243    0.3916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -33.1256   -0.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -31.8262    0.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -30.5276   -0.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -29.2282    0.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -27.9295   -0.3616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -26.6301    0.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -25.3314   -0.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.0320    0.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.7333   -0.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.4339    0.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.1353   -0.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.8359    0.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.5372   -0.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2378    0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9391   -0.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6397    0.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3410   -0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0416    0.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7430   -0.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4436    0.3791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1449   -0.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8455    0.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5468   -0.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2474    0.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9487   -0.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6493    0.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6493   -0.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9487    0.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2474   -0.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5468    0.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8455   -0.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1449    0.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4436   -0.3791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7430    0.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0416   -0.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3410    0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6397   -0.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9391    0.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2378   -0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5372    0.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8359   -0.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1353    0.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4339   -0.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7333    0.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0320   -0.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3314    0.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6301   -0.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9295    0.3616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2282   -0.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5276    0.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8262   -0.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1256    0.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4243   -0.3916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.7237    0.3578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.0224   -0.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.3218    0.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  1  0
 52 53  1  0
 53 54  1  0
 54 55  1  0
 55 56  1  0
 56 57  1  0
 57 58  1  0
 58 59  1  0
 59 60  1  0
M  END
$$$$
Mol_2009
     RDKit          2D

 29 29  0  0  0  0  0  0  0  0999 V2000
  -17.3706    0.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0895   -0.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7732    0.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4922   -0.2264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1759    0.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8948   -0.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5785    0.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2974   -0.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9811    0.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7001   -0.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3838    0.3099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1027   -0.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7864    0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5054   -0.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8109    0.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0920   -0.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4083    0.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6894   -0.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0057    0.0659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2867   -0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2515   -2.2140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6030    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8841   -0.7754    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.2004   -0.0561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2356    1.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5519    2.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8330    1.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7977   -0.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4814   -0.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
M  END
$$$$
Mol_2010
     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
  -11.0585    0.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7921   -0.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4627    0.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1963   -0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8669    0.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6005   -0.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2711    0.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0047   -0.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6754    0.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5911   -0.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9204    0.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1869   -0.7772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1240   -2.2758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5162   -0.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5791    1.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3127    2.2202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9085    2.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1749    1.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1120   -0.1912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7827   -0.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7198   -2.3848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 14  1  0
M  END
$$$$
Mol_2011
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -7.0930    1.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5939    1.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7984    2.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8904   -0.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3913   -0.2493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6878   -1.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1888   -1.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5014   -3.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3967   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2142    0.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1762    0.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3842   -1.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7747   -1.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9572   -0.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3477   -1.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7492    0.5787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9317    1.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7237    2.9871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3587    1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1508    2.6269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2017   -2.1899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 16 19  2  0
 19 20  1  0
 12 21  1  0
 21  7  1  0
 19 11  1  0
M  END
$$$$
Mol_2012
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.5714    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0714   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1786   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9286    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1786    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
M  END
$$$$
Mol_2013
     RDKit          2D

 27 27  0  0  0  0  0  0  0  0999 V2000
  -16.0101    0.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7321   -0.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4130    0.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1350   -0.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8159    0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5379   -0.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2188    0.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9408   -0.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6217    0.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3437   -0.4366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0246    0.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7466   -0.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4275    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8505   -0.5791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1696    0.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4476   -0.6503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667    0.0638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0447   -0.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0035   -2.2210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3638   -0.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6418   -0.7928    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.9609   -0.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0020    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3211    2.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5991    1.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5580   -0.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2389   -0.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
M  END
$$$$
Mol_2014
     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.5402   -3.5773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8684   -2.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9287   -1.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6609   -0.5797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7213    0.9191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5465    1.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8747    1.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1425    1.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4707    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5310   -0.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8592   -1.0677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2632   -1.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9351   -0.4752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0494    1.6162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1098    3.1150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3172    0.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6454    1.5117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2569   -0.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5247   -1.4859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
  5 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18  3  1  0
 13  7  1  0
M  END
$$$$
Mol_2015
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -5.5533    0.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2756   -0.7530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8601   -1.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7224   -0.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3070   -0.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1693    0.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2462   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5239   -1.7615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9393   -2.2580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2171   -3.7321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0771   -1.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4925   -1.7770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6302   -0.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7993    0.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3839    0.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1062    2.1642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6907    2.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4255    3.9684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4695    3.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2263    5.0915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4470    1.6831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8624    2.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1401    3.6537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0293   -2.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1670   -3.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5824   -2.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7201   -3.7011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 17 21  1  0
 21 22  1  0
 22 23  1  0
  5 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 26  3  1  0
 21  6  1  0
 15  7  1  0
M  END
$$$$
Mol_2016
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
  -10.8105    0.3648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4986   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2128    0.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9009   -0.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6151    0.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3033   -0.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0174    0.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7056   -0.2270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6795   -1.7268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4198    0.5454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8921   -0.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1779    0.5906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4898   -0.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7756    0.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -0.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3733    0.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6852   -0.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7112   -1.5462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9710    0.7260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
M  END
$$$$
Mol_2017
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -4.4154   -1.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6912   -0.6413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1915   -0.6117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4160   -1.8957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4673    0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2427    1.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7424    1.9563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0325    0.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7567    2.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2564    2.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0319    0.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5316    0.8203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3076   -0.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0831   -1.8069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3589   -3.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8079   -0.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  2  0
 16  8  1  0
M  END
$$$$
Mol_2018
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -3.8243   -1.5611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5433   -0.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6788    0.8925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1267    0.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9912   -0.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4253   -0.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7064    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1230    1.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2585    0.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9774   -0.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1129   -1.5480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5608   -1.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12  6  1  0
M  END
$$$$
Mol_2019
     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
    5.5827   -3.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2455   -2.9389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1656   -1.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4228   -0.6229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8284   -0.7613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5712   -1.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2340   -0.8998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1541    0.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831    1.2777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4403    0.4596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7775    1.1393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0347    0.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3719    1.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4518    2.4986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9547   -1.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2119   -1.9950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6176   -1.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5376   -3.3543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3604   -1.0383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0232   -1.7180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4113    1.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6445    2.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828    3.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1258    3.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8081    1.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2899    1.5650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7485    0.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1494    0.2003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
  8 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 27  5  1  0
 19 10  1  0
 27 21  1  0
M  END
$$$$
Mol_2020
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
    5.7471   -3.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4079   -2.9184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3235   -1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5783   -0.5989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9843   -0.7451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7295   -1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3904   -0.8913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3060    0.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0332    1.2821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2880    0.4602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6272    1.1359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8820    0.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2211    0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3055    2.4873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7976   -1.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0523   -2.0055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4584   -1.8593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3740   -3.3570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2036   -1.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8644   -1.7132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5607    1.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7896    2.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7247    3.9672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2702    3.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9564    1.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4388    1.5886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8999    0.7526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
  8 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27  5  1  0
 19 10  1  0
 27 21  1  0
M  END
$$$$
Mol_2021
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -3.2115   -4.2687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7395   -2.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7365   -1.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2644   -0.3005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2615    0.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7894    2.2440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7864    3.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2555    3.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2525    4.1823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7275    1.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7305    0.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7954    0.0026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0249    4.0626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0868    3.4564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1427    0.6088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 11  5  1  0
 32 13  1  0
 26 17  1  0
M  END
$$$$
Mol_2022
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -3.5872    3.8448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6775    2.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8370   -0.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1182   -1.3531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4528   -1.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9561   -2.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4820   -2.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0013   -0.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4210   -1.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9018    1.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9310    3.1227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4754   -0.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 24  7  1  0
 22 13  1  0
M  END
$$$$
Mol_2023
     RDKit          2D

 45 49  0  0  0  0  0  0  0  0999 V2000
    4.9779   -1.3002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0232   -2.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3443   -3.5099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4263   -2.8780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1705   -2.9565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2159   -1.4572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0599   -0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2904    1.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3519    3.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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  2  4  1  0
  4  5  1  0
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 26  8  1  0
 38 28  1  0
 23 10  2  0
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M  END
$$$$
Mol_2024
     RDKit          2D

 37 39  0  0  0  0  0  0  0  0999 V2000
    3.3674   -2.7255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7604   -1.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0206    0.9092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5120    0.7491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3964    1.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7893    3.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6737    4.5439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6908    4.8641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 12  5  1  0
 36 14  1  0
 29 22  1  0
M  END
$$$$
Mol_2025
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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   -5.0342   -3.6596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
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  6  7  1  0
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 18 19  2  0
 12 20  2  0
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 30 31  1  0
 30 32  1  0
 32 33  1  0
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 26  8  1  0
 23 10  2  0
 19 13  1  0
M  END
$$$$
Mol_2026
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -2.5981    0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -1.3929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.8571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
M  END
$$$$
Mol_2027
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
    2.4374    2.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0077    1.3005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0374    0.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077   -1.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483   -1.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7186   -3.0109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5945    0.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0919    0.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4924   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9409    1.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3706    0.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3409   -0.8295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1185   -0.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3112   -1.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483    0.9541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4815    2.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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  7  8  1  0
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 10 11  1  0
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 15 16  1  0
 15  2  1  0
 13  5  1  0
 16 10  1  0
M  END
$$$$
Mol_2028
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.3654   -3.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -1.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8085   -0.5487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2642   -0.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3702    1.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9799    1.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6183    3.3280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0147    0.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4753    0.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -0.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9537    0.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4535    1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4538   -1.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3678    0.8402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3766   -1.6512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1092   -2.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
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 10 15  1  0
 15 16  1  0
 16  2  1  0
  8  3  1  0
M  END
$$$$
Mol_2029
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
   -4.4814   -2.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6166   -1.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2456   -0.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7394   -0.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3807    0.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8869    0.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0221    2.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4717    1.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3366    3.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1007    0.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5945    0.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2235   -0.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7173   -1.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3463   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5821    0.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
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 13 14  1  0
 13 15  1  0
M  END
$$$$
Mol_2030
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
    2.7906    1.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3370   -0.1514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8719   -0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4183   -1.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1394    0.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6045    0.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0581   -1.1174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6158    1.4201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
M  END
$$$$
Mol_2031
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -3.4623   -1.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2082   -0.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3614    0.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8008    0.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5467    1.7372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1394    2.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138    1.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4211    1.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5743    0.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3202   -0.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9129   -1.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6587   -2.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7597   -0.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5056   -1.6596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6476   -0.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 15  4  1  0
 13  7  1  0
M  END
$$$$
Mol_2032
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -4.3969    0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3087   -0.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6586   -1.6772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8705    0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5206    1.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0824    2.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0058    1.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3557    2.5189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440    1.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5322    0.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1823   -1.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7441   -1.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3942   -2.8893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6559   -0.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3059   -1.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7823   -0.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
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 16  4  1  0
 14  7  1  0
M  END
$$$$
Mol_2033
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -0.7104   -2.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3622   -1.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8580   -1.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5098    0.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6656    1.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1697    1.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3256    2.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1703    2.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8220    1.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9779   -0.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4738   -0.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6241   -1.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9174    0.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5180   -0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1337   -1.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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  6  7  1  0
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 14  2  1  0
 14  6  1  0
 11  9  1  0
M  END
$$$$
Mol_2034
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
    1.1980    2.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0804    0.9438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    0.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1991   -1.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7716   -1.8926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7155   -2.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3614   -0.7347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6797   -0.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0335   -0.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4064    1.4559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9193    1.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2734    0.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0449   -0.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9371    0.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8413   -0.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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 12  2  1  0
 13  5  1  0
 12  7  1  0
M  END
$$$$
Mol_2035
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -0.7104   -2.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3622   -1.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8580   -1.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5098    0.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6656    1.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1697    1.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3256    2.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1703    2.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8220    1.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9779   -0.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4738   -0.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6241   -1.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9174    0.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5180   -0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1337   -1.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
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 14  6  1  0
 11  9  1  0
M  END
$$$$
Mol_2036
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
    2.5765    0.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0772    0.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6860    2.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9  3  1  0
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M  END
$$$$
Mol_2037
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
    1.1980    2.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0804    0.9438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    0.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  5  1  0
 12  7  1  0
M  END
$$$$
Mol_2038
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -1.3570    2.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4527    0.5335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8563    1.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7821   -0.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5171   -2.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2820   -0.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0470    0.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3120    1.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8121    1.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15  4  1  0
 13  7  1  0
M  END
$$$$
Mol_2039
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.5480    0.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0486    0.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6658   -1.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5596   -2.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0813   -2.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7955   -2.1800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1452   -0.8283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4262    2.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5865    1.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2040
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
    3.5140    0.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2602   -0.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9202    0.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3336   -0.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6736    0.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7598    1.5085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9274   -0.8124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
M  END
$$$$
Mol_2041
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
    4.1710   -1.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7230   -1.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6598   -2.2754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3383    0.2325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8903    0.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6208   -0.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6840   -1.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0056    1.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5056    2.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5688    3.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2042
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
    3.4054   -2.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6340   -0.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2214    0.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0903    1.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8038    0.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1399   -0.6045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2064   -1.7787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6960    0.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  8  1  0
 11  5  1  0
M  END
$$$$
Mol_2043
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    4.8718   -0.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6252    0.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7243    1.5719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2795   -0.5873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0328    0.2469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3129   -0.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5732   -1.6259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2044
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
    6.0663    0.4373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7412   -0.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4699    0.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1448   -0.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8735    0.6239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3859   -1.3234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4986   -2.5384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2045
     RDKit          2D

 24 23  0  0  0  0  0  0  0  0999 V2000
    7.8469    3.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
M  END
$$$$
Mol_2046
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
    8.4845    1.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5103    0.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2244   -0.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2503   -1.8752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9126    0.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6267   -0.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3150    0.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0291   -0.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7173    0.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5686   -0.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8804    0.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1663   -0.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4781    0.1728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7640   -0.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0758    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1017    1.6277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3617   -0.6444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6735    0.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
M  END
$$$$
Mol_2047
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
    5.9571    3.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0471    2.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5594    2.5511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6494    1.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1618    1.5505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2518    0.3581    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6582   -0.8344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4442   -0.5519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2523   -2.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4448   -2.9496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529   -4.4373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4453   -5.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9407    1.2681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250    0.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9027    2.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9927    3.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7473   -0.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5052   -1.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7093    0.1127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0936   -0.4650    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2870    1.4970    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3046   -1.3317    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
  6 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
 14 19  1  0
 19 20  1  0
 19 21  1  0
 19 22  1  0
M  END
$$$$
Mol_2048
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
    2.8435   -1.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9445    0.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5349    1.5003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4551   -0.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2762   -1.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7477   -1.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7673    0.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0360    1.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5645    1.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3863   -0.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9  4  1  0
 10  6  1  0
M  END
$$$$
Mol_2049
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
    5.6412    4.4946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542    2.9989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1060    2.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2190    0.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9802    0.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0932   -1.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8544   -2.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5025   -1.6841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2637   -2.5298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9118   -1.8798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7988   -0.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5530    0.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7919   -0.5798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6789   -2.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9177   -2.9213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2696   -2.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3826   -0.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7344   -0.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8474    1.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1993    2.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4381    1.1744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3123    3.5159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
M  END
$$$$
Mol_2050
     RDKit          2D

 27 26  0  0  0  0  0  0  0  0999 V2000
    0.7612   -4.9437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6685   -4.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9903   -3.0247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4200   -2.5709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7417   -1.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1714   -0.6519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4932    0.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9229    1.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3853    1.8244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6338   -0.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9556    1.3705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8477    2.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1695    3.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0522    2.3315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2042   -0.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1176   -2.0135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5473   -2.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8691   -3.9324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9037    0.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3334    0.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4413    1.0201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8710    0.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9789    1.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1928   -0.8988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5820    1.9279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6899    2.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3681    4.4042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  5 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 10 15  1  0
 15 16  1  0
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 17 18  1  0
 15 19  1  0
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 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 19 25  1  0
 25 26  1  0
 26 27  1  0
M  ISO  3   1   2  18   2  27   2
M  END
$$$$
Mol_2051
     RDKit          2D

 26 25  0  0  0  0  0  0  0  0999 V2000
  -13.6322    0.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3453   -0.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3692   -1.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0344    0.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7475   -0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4367    0.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1498   -0.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8390    0.4681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5520   -0.3025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2412    0.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2173    1.9265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9543   -0.3439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6435    0.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6435   -0.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9543    0.3439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2412   -0.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2173   -1.9265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5520    0.3025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8390   -0.4681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1498    0.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4367   -0.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7475    0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0344   -0.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3453    0.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6322   -0.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3692    1.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
M  END
$$$$
Mol_2052
     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -5.6790   -1.9791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2322   -1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8516   -0.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9179    0.9227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4048    0.2635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0242    1.7144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5774    2.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1968    3.5612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4888    1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9357    1.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0019    0.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6213   -1.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6876   -2.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1344   -1.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5150   -0.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1083   -0.3957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3386   -0.7915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7191   -2.2425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
  9 17  1  0
 17 18  1  0
 18 19  2  0
 18  5  1  0
 16 11  1  0
M  END
$$$$
Mol_2053
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
  -11.1244   -0.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7745   -0.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5332   -0.9265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1833   -0.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8334    0.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4834    1.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2421    0.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2054
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2055
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2056
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2057
     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2058
     RDKit          2D

 41 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2059
     RDKit          2D

 41 40  0  0  0  0  0  0  0  0999 V2000
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 40 41  1  0
M  END
$$$$
Mol_2060
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
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    3.3066    2.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2061
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
    7.5305   -2.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7359   -1.3534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9782   -0.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4046    0.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0151   -0.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1903   -1.7719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1467    1.6184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 20 14  1  0
M  END
$$$$
Mol_2062
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.5928    1.2868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6020    0.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1404   -0.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8101    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2808    1.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2717    0.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7424    0.5098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7919   -1.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3212   -1.5015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
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  7  8  1  0
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  9 10  1  0
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 11 12  2  0
 12  6  1  0
M  END
$$$$
Mol_2063
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
    7.3408   -2.8267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5654   -1.3436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9966   -0.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8245   -0.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2557    0.3705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 13  1  0
M  END
$$$$
Mol_2064
     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -7.0289   -0.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9563    1.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 12  1  0
M  END
$$$$
Mol_2065
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
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    3.7734   -0.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852    1.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9363    1.6536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8756    0.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5733    0.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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  6  7  2  0
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 12  7  1  0
M  END
$$$$
Mol_2066
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.5170   -0.6396    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6493    1.2726    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6691   -0.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4004    1.0094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8722   -1.0266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  5 11  1  0
 11  2  1  0
M  END
$$$$
Mol_2067
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
    2.9724    3.8732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4029    2.4363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3738    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8043   -0.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7751   -1.1832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2057   -2.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1765   -3.7113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6653   -2.9657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9141    1.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4836    3.1275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9760    3.4731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1150    0.5994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5746    0.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6038   -0.1463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0634    0.1993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0925   -0.8920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4939    1.6362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3155   -0.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7136   -1.9288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2831   -3.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1733   -1.5832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  3  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 12 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
M  END
$$$$
Mol_2068
     RDKit          2D

 27 27  0  0  0  0  0  0  0  0999 V2000
  -12.3563    0.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4522   -0.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9636   -0.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0595   -1.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5709   -1.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6668   -2.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1782   -2.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5937   -1.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4978    0.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9133    1.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4247    1.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8402    3.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3516    3.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4475    2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0411    2.2137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9452    1.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4338    1.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3380    0.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7535   -1.3770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8266    0.1890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7307   -1.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2193   -0.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8038    0.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2924    0.7426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1965   -0.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6120   -1.8357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1234   -2.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
M  END
$$$$
Mol_2069
     RDKit          2D

 23 22  0  0  0  0  0  0  0  0999 V2000
   11.2500    3.6712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    2.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    2.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    1.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500    1.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -0.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -0.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.8240    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.3240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.3240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -0.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -0.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500    1.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500    1.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0000    2.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5000    2.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2500    3.6712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  2  0
 11 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
M  END
$$$$
Mol_2070
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -3.9755    0.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4765    0.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759   -0.6554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2769   -0.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4237   -2.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5213    0.5582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0203    0.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8186    1.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7209   -0.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
M  END
$$$$
Mol_2071
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.5833   -1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8333    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5833    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3333   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4167   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9167   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6667    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9167    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4167    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
M  END
$$$$
Mol_2072
     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
  -11.6302    2.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1338    2.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2957    1.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7993    1.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9613    0.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4649    0.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6268   -0.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1304   -0.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2923   -2.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7959   -1.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0422   -3.2299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5386   -3.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8864   -3.7845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7826   -2.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4409   -0.9403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9374   -0.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5957    0.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0921    0.6151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7504    1.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9124    3.2070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2468    2.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9052    3.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 12 11  1  6
 12 13  1  0
 13 14  1  0
 14 15  1  1
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 14 12  1  0
M  END
$$$$
Mol_2073
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
    3.3436   -4.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2959   -2.5412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9737   -1.8329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9260   -0.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2005    0.4573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1528    1.9565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4273    2.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8306    2.6648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6037    0.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5560    1.8739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7662    2.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -0.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9930    0.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2676   -0.4989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5898    0.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8643   -0.5815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6375    1.7087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6231   -1.9155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8976   -2.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  4  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 12 18  1  0
 18 19  1  0
M  END
$$$$
Mol_2074
     RDKit          2D

 24 23  0  0  0  0  0  0  0  0999 V2000
    5.7047    4.9753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0562    3.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4948    3.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8463    1.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7592    0.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1106   -0.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0235   -1.8912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5849   -1.4664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4978   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0592   -2.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7077   -0.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2691   -0.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8181   -1.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4666   -2.6841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5537   -3.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9923   -3.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3438   -1.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7824   -1.4099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1339    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5725    0.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9240    1.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3626    2.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4498    1.3225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7141    3.8142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
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 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
M  END
$$$$
Mol_2075
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
   10.3609    2.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9064    1.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4965    0.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0420   -0.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6322   -1.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1777   -1.9773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6784   -1.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6337   -0.1911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -0.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.3185    1.5718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.1828   -0.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6836   -0.9475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0934   -2.3905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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 10 11  1  0
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 17 19  1  0
 19 20  1  0
M  END
$$$$
Mol_2076
     RDKit          2D

 33 32  0  0  0  0  0  0  0  0999 V2000
    8.2677    6.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4010    5.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1166    3.8179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2498    2.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9654    1.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0987    0.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8142   -1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3965   -1.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1121   -3.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6944   -3.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5612   -2.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1435   -3.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.1622   -0.0976    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
  -10.6522    1.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6721   -1.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5798   -0.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9091    1.3727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0424    2.3554    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -6.0596    3.4886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0251    1.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1756    3.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
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 29 30  1  0
 30 31  1  0
 30 32  1  0
 30 33  1  0
M  END
$$$$
Mol_2077
     RDKit          2D

 23 23  0  0  0  0  0  0  0  0999 V2000
   -3.1163   -1.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2600   -2.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7653   -2.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6395   -4.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8911   -1.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2485   -0.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3743    0.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1427    1.7528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7316    1.5349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9632    0.6786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8574    3.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7294   -2.6055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3678   -1.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5115   -0.0166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1499    1.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2936    2.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9320    3.9297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6446    1.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2831    2.8239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5009    0.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9957    0.3608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8625   -1.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7188   -2.3539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
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  7  9  1  0
  9 10  2  0
  9 11  1  0
  3 12  1  0
 12 13  1  0
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 15 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 13  1  0
M  END
$$$$
Mol_2078
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -5.2779   -2.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8847   -1.9431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7794   -2.9572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2974   -2.7253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5547   -1.4221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1105   -0.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2539    1.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2458    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0223   -0.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2985   -1.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7982   -1.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5747   -2.5552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2451    1.2949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7448    1.3257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1603    2.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5771    1.9049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7359    0.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6739    2.0475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4711    0.9377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5813    0.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2339    3.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  8  9  1  0
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 10 11  2  0
 11 12  1  0
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 10 14  1  0
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 19  2  1  0
 18  6  1  0
 23  7  1  0
M  END
$$$$
Mol_2079
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
    5.2564   -2.0252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2134   -0.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8934    0.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6164   -0.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2964    0.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2534    1.6116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0193   -0.6747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3007    0.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6637    2.2496    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5777   -0.7492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5347   -2.2486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.4947   -0.1112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5377    1.3882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7717   -0.8981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4904    0.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4474    1.7605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8104   -0.4513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
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 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
  2 18  1  0
 18 19  2  0
 18 20  1  0
M  END
$$$$
Mol_2080
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
    5.4625   -2.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9453   -0.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4673   -0.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5065   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0286   -1.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0678   -2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5850   -4.0038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9501    0.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9109    2.0118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3889    1.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5114   -0.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9666    0.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
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 10 11  1  0
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 21  3  1  0
 24  5  2  0
 25  9  2  0
 25 16  1  0
M  END
$$$$
Mol_2081
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
   -8.2140    2.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6570    1.1510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6374    0.0508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1748    0.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1552   -0.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2082
     RDKit          2D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2083
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2084
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2085
     RDKit          2D

 39 42  0  0  0  0  0  0  0  0999 V2000
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 22  6  1  0
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 15  7  2  0
M  END
$$$$
Mol_2086
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2087
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
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 19 20  1  0
M  END
$$$$
Mol_2088
     RDKit          2D

 59 63  0  0  0  0  0  0  0  0999 V2000
   -5.9488   -0.6152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2089
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2090
     RDKit          2D

 69 74  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  6  7  2  0
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 64 12  1  0
 47 16  1  0
 59 53  1  0
 29 23  1  0
 44 38  1  0
M  END
$$$$
Mol_2091
     RDKit          2D

 72 77  0  0  0  0  0  0  0  0999 V2000
   10.7656   -3.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4845   -1.8091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0680   -1.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2092
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.5227    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7727    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2727    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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  8  9  1  0
  9 10  2  0
 10 11  1  0
 10  4  1  0
M  END
$$$$
Mol_2093
     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
    3.2293   -3.5232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6410   -3.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9077   -1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7628   -0.5710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8845    1.8741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.4640    1.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8756    0.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0206    1.7388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.9974   -1.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.5857   -1.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4412    1.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7079    2.8883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5861    0.4431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9978    0.9502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3194   -1.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4644   -2.0020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
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 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 10 21  1  0
 21 22  2  0
  5 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27  3  1  0
 22  7  1  0
 20 13  1  0
M  END
$$$$
Mol_2094
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -3.2624    0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9270   -0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6677    0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6677   -0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270    0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2624   -0.2097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
M  END
$$$$
Mol_2095
     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -5.6050    0.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5437   -0.5830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0951   -0.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7076    1.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2589    1.6441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8715    3.0932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1977    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5852   -0.8651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4761   -1.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9248   -1.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9860   -2.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3122   -0.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7609    0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1483    1.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8221   -0.7581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2510    0.9730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6384    2.4221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0338   -1.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4213   -2.7031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 12 16  2  0
 16 17  1  0
  8 18  1  0
 18 19  2  0
 18  3  1  0
 16  7  1  0
M  END
$$$$
Mol_2096
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
M  END
$$$$
Mol_2097
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -5.0109    0.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0490    1.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5713    1.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0554   -0.0539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5777   -0.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0618   -1.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4160   -1.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3778   -0.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8556   -1.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8174    0.0672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3015    1.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8238    1.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8619    0.5821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3842    0.8396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0172   -1.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4950   -0.9475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  4 15  1  0
 15 16  2  0
 16  1  1  0
 14  5  1  0
 13  8  1  0
M  CHG  1  14   1
M  END
$$$$
Mol_2098
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.1887   -3.1168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2468   -1.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5739   -0.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8429   -1.7186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1700   -1.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4390   -1.8193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2282    0.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9592    1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0173    2.7780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6320    0.5801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3630    1.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4212    2.8787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9641    0.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2331    1.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750    2.9794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5602    0.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6183   -0.7175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9455   -1.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2145   -0.6168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3493   -1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0222   -0.8181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
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  8  9  1  0
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 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  2  0
 21  2  1  0
 10  3  1  0
 21 13  1  0
M  END
$$$$
Mol_2099
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -4.4425   -2.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0552   -2.3413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8554   -0.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0430    0.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8433    1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0308    2.4646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4559    2.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2683    1.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4681   -0.2843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2805   -1.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4802   -2.6873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1069   -0.6303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2945   -1.5466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0947   -3.0332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8816    0.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2689    1.0807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4565    0.1644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6940    1.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3066    0.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1190    1.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3188    3.2593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 19 20  2  0
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 21 22  2  0
  9  3  1  0
 20 12  1  0
 21  8  1  0
M  END
$$$$
Mol_2100
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -6.3754   -1.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0299   -1.7996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7829   -0.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8812    0.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6341    1.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7325    2.8611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2887    0.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4375   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2534   -2.9557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4021   -0.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5508    1.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4525    3.2018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3038    0.8714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0417    1.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1400    3.0314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 20 21  1  0
 21 22  2  0
  9  3  1  0
 20 12  1  0
 21  7  1  0
M  END
$$$$
Mol_2101
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
    5.5581   -2.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3894   -0.8635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8078   -1.1558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0519    2.1174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
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 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20  3  1  0
 16  7  1  0
M  END
$$$$
Mol_2102
     RDKit          2D

 56 60  0  0  0  0  0  0  0  0999 V2000
    1.0050   -5.6332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1938   -4.7185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7490   -9.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3244   -9.0665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9737   -0.4099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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  3  4  2  0
  4  5  1  0
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  6  7  1  0
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  8  9  1  0
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 10 11  2  0
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 22 23  1  0
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 16 30  1  0
 31 30  1  1
 31 32  1  0
 32 33  1  0
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 34 35  1  0
 33 36  1  0
 36 37  1  1
 36 38  1  0
 38 39  1  6
 38 40  1  0
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 42 43  1  1
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 49 50  1  0
 50 51  2  0
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 53 54  2  0
 42 55  1  0
 55 56  1  6
 11  5  1  0
 55 14  1  0
 29 23  1  0
 40 31  1  0
 54 48  1  0
M  END
$$$$
Mol_2103
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.8584   -0.8397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3584   -0.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6012   -2.1263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1012   -2.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3440   -3.4128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3584   -0.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1156    0.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6156    0.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3728    1.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1300    3.0781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8729    1.7915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1301    3.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3699    3.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1127    4.4062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6559   -3.3796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1157    0.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8585   -0.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1013   -2.1014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
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 17 18  1  0
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 16 29  2  0
 29 30  1  0
 30 31  2  0
  8  2  1  0
 29 11  1  0
 30  6  1  0
 27 18  1  0
M  END
$$$$
Mol_2104
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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   -3.0440   -2.5979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9674   -1.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8142    1.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552    1.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6318   -0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3727   -1.2326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5576   -0.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2195    1.7635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  4  5  1  0
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 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
  9  3  1  0
 20 11  1  0
M  END
$$$$
Mol_2105
     RDKit          2D

 24 24  0  0  0  0  0  0  0  0999 V2000
    3.9363   -2.7189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
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 10 11  1  0
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  3 18  1  0
 18 19  2  0
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 23 24  1  0
 23  2  1  0
M  ISO  1   1   2
M  END
$$$$
Mol_2106
     RDKit          2D

 63 71  0  0  0  0  0  0  0  0999 V2000
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    6.1892    1.2804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21  6  1  0
 42 28  1  0
 63 49  1  0
M  END
$$$$
Mol_2107
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
    5.9693   -3.3347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7933   -2.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3989   -2.9564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4838    1.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8782    2.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0966    3.9108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542    1.4956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8358    0.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.8826   -1.4432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3122   -1.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5306   -3.3055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9178   -1.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1290   -0.1629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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 10 11  2  0
 11 12  1  0
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 13 14  1  0
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 12  2  1  0
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 11  5  1  0
 25  6  1  0
M  END
$$$$
Mol_2108
     RDKit          2D

 28 32  0  0  0  0  0  0  0  0999 V2000
   -0.0519   -1.3501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6780   -0.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5782   -1.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9893   -2.6190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0674   -1.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1455    0.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3450    2.8992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5841    1.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9185    3.4601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
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 27 28  2  0
 14  2  1  0
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 17  2  1  0
 26 20  1  0
 11  5  1  0
M  END
$$$$
Mol_2109
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.4099   -4.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0975   -2.9102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2868   -1.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115   -1.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0223   -0.4572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5206   -0.5283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3313    0.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8296    0.6626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6437    2.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1454    2.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3347    0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1636    0.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4727   -0.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1603    1.0892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6586    1.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3462    2.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4693   -0.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
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 13  3  1  0
 11  5  2  0
M  END
$$$$
Mol_2110
     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -3.6800    3.7444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5156    2.2534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5603   -0.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7694   -1.0132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0226   -2.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2317   -3.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6492   -2.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6492    2.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0226    2.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2317    3.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1870    0.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9779   -0.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1422   -1.6502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9332   -2.5380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5156   -2.2534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7247   -1.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5603    0.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7694    1.0132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9779    0.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1422    1.6502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9332    2.5380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
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 17 18  2  0
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 11 26  2  0
 26 27  1  0
 27 28  2  0
 27  2  1  0
 26  6  1  0
 18 12  1  0
 24 17  1  0
M  END
$$$$
Mol_2111
     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -7.6021   -0.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1388   -0.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6929    1.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2296    1.7097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7837    3.1419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6582   -0.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1776    1.5971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6408    1.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6582    0.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2123   -0.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7490   -0.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3031   -2.3695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2296   -1.7097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7837   -3.1419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6929   -1.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1388    0.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6021    0.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1214    1.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5674    2.5869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7490    0.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3031    2.3695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1214   -1.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5674   -2.5869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 15 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 10 25  2  0
 25 26  1  0
  7 27  1  0
 27 28  2  0
 27  2  1  0
 25  6  1  0
 16 11  1  0
 23 14  1  0
M  END
$$$$
Mol_2112
     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.7500    3.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    1.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    3.1548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    0.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    0.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -0.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -2.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -2.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -3.3404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.0413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -2.0413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -2.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.3404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -2.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -0.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    0.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    0.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    3.1548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  2  0
  3 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 27  2  1  0
 16  4  1  0
 26 20  1  0
 15  9  1  0
M  END
$$$$
Mol_2113
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -3.6136    0.8135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1672    0.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7883   -1.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8558   -2.0892    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3419   -1.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0370   -2.8842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7255   -0.3790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1719   -0.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5508   -2.2279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2393    0.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8604    1.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4140    2.1262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3466    1.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0998    1.4698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4787    2.9212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 14  2  1  0
 13  7  1  0
M  END
$$$$
Mol_2114
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -3.9047    0.6756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4647    1.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3810    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5832   -1.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2321   -2.0795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8051   -0.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3044   -1.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0936    0.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3835    1.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8842    1.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0950    0.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  3  1  0
 11  6  1  0
M  END
$$$$
Mol_2115
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -3.8471   -0.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3475   -0.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5665   -1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0670   -1.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7140   -2.9529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6516   -0.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1512   -0.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9322   -1.6002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8697    0.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0887    2.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5891    2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1294    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6290    0.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4100    2.1696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13  2  1  0
 12  6  1  0
M  END
$$$$
Mol_2116
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -3.6136   -0.8135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1672   -0.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0998   -1.4698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4787   -2.9212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3466   -1.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4140   -2.1262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8604   -1.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2393   -0.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1719    0.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5508    2.2279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7255    0.3790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3419    1.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0370    2.8842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7883    1.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8558    2.0892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 14  2  1  0
 11  5  1  0
M  END
$$$$
Mol_2117
     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.5793    3.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7031    2.2127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4704    1.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1139    1.9984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1189    1.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9951   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2278   -1.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1041   -2.7007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5843   -0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8170   -1.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6933   -2.9150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1735   -0.7799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2973    0.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0646    1.5696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7081    0.9294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4753    1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5991    3.2789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5941   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3614   -0.9914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9506   -0.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0744   -2.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8416   -3.1266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4309   -2.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6636   -2.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5398   -0.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1833    0.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0596    1.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2923    2.4271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
  3 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 27  2  1  0
 16  5  1  0
 26 20  1  0
 15  9  1  0
M  END
$$$$
Mol_2118
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -1.7578    2.3964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4243    0.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5240   -0.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1905   -1.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7572   -1.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3425   -0.9709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7758   -1.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8756   -0.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5421    1.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1088    1.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0090    0.4916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  2  1  0
 11  6  1  0
M  END
$$$$
Mol_2119
     RDKit          2D

 14 16  0  0  0  0  0  0  0  0999 V2000
   -5.0233    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5233   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6417   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2151   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0840   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3830   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6820   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9811   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9811    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6820    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3830    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0840    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2151    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6417    1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14  2  1  0
 13  4  1  0
 11  6  1  0
M  END
$$$$
Mol_2120
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -1.0825    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0825    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3816    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3816   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0825   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0825   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2165   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5155   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8146   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8146    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5155    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2165    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  2  1  0
 12  7  1  0
M  END
$$$$
Mol_2121
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -3.8471   -0.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3475   -0.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5665   -1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0670   -1.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7140   -2.9529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6516   -0.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1512   -0.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9322   -1.6002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8697    0.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0887    2.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5891    2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1294    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6290    0.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4100    2.1696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13  2  1  0
 12  6  1  0
M  END
$$$$
Mol_2122
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
    4.5967    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3680   -0.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4287   -1.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5077   -1.6767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0134   -1.5460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3794   -0.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2397    1.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6057    2.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8886    2.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7489    1.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2432    1.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1035    0.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4695   -1.1540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3298   -2.3828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9752   -1.2847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1149   -0.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7340    0.9115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
  7 17  1  0
 17  2  1  0
 16  6  1  0
 16 10  2  0
M  END
$$$$
Mol_2123
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
    3.2123    3.2394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7122    1.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    1.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7374    0.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7374   -0.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -1.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7122   -1.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2123   -3.2394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6869   -0.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1617   -0.9591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1363    0.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6363    1.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1615    1.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1868    0.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7121    1.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2120    2.4173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7121   -1.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120   -2.4173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1868   -0.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1615   -1.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6363   -1.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1363   -0.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1617    0.9591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6869    0.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
  4 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24  2  1  0
 15  5  1  0
 24 19  1  0
 14  9  1  0
M  END
$$$$
Mol_2124
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -2.7039   -2.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6710   -0.9343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0965    0.5041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5549    0.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5878   -0.2330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9805    2.2931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -1.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2130   -2.7233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8204   -0.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3948    1.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4277    2.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8862    1.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3117    0.5398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7701    0.1892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2788   -0.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7044   -1.9863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  2  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 15  9  1  0
M  END
$$$$
Mol_2125
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
   11.5509   -0.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1708   -0.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9899   -2.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9718    0.0261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5917   -0.5617    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3927    0.3395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5736    1.8285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0126   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8135    0.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335    0.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2344    0.9663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1456    0.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3447    1.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7247    0.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9238    1.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3038    1.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5029    1.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8829    1.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0638   -0.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8647   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4847   -0.4838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3513   -2.4905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8511   -2.4663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2915   -1.0323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 21 16  1  0
 24 19  1  0
M  END
$$$$
Mol_2126
     RDKit          2D

 33 35  0  0  0  0  0  0  0  0999 V2000
   -7.5420   -1.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0420   -1.8224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2945   -0.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0470    0.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2995    2.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0520    3.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3045    4.6742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7995    2.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0470    0.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7945   -0.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0420   -1.8166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5420   -1.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7895   -3.1113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7105   -3.1085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4630   -4.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7155   -5.7065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4580   -1.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9580   -1.8051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7055   -0.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9530    0.7930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7005    2.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9480    3.3911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4480    3.3882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2005    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9480    3.3968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9530    0.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4530    0.8017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2055   -0.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9580   -1.7993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7055   -0.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4530    0.7901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7945   -0.5133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5470    0.7843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  5  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
 18 19  1  0
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 24 25  1  0
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 26 27  1  0
 26 28  1  0
 28 29  1  0
 17 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 10  3  1  0
 32 12  1  0
 28 19  1  0
M  END
$$$$
Mol_2127
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -3.0745   -1.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7371   -0.6323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5007    0.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5602    1.9109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0189    1.0819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6605   -0.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0615    0.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2261   -0.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2979    1.7617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0470   -1.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4014   -1.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  6 10  1  0
 10 11  1  0
 11  2  1  0
 11  6  1  0
M  END
$$$$
Mol_2128
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.8004    2.4517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5968    0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2079    0.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0228    1.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3661    0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5513    1.6711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9401    1.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1253    2.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5141    1.4572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7178   -0.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5326   -0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1438   -0.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0408   -2.3596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5401   -2.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9585   -0.8719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7819    0.0461    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5783   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7634   -2.3595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1523   -1.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3559   -0.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1708    0.6128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
  2 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 12  7  1  0
 21 16  1  0
 15 10  1  0
M  END
$$$$
Mol_2129
     RDKit          2D

 26 26  0  0  0  0  0  0  0  0999 V2000
  -13.1373    3.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7365    3.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5008    1.9303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1000    1.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8643   -0.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4635   -0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2277   -2.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8270   -2.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6620   -1.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2612   -2.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0962   -1.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6954   -1.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5304   -0.8805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8704   -1.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0354   -0.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4362   -1.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6012   -0.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0020   -0.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1670    0.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5677   -0.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8035   -1.6733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7328    0.7529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1819    0.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9980    1.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0531    2.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6531    2.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 22  1  0
M  END
$$$$
Mol_2130
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -2.8988   -2.5798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5471   -1.9295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5465   -0.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7980    0.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3984    1.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8999    1.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1228    3.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5520    2.2866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3734    0.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0889    0.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7392   -1.1808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0878   -2.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3747   -2.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5847    0.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9517   -0.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9554    1.5117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 13  2  1  0
  9  3  1  0
 14 10  1  0
M  END
$$$$
Mol_2131
     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
  -12.9366    0.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6566   -0.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3393    0.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0593   -0.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7420    0.4227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4620   -0.3593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1447    0.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8648   -0.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5475    0.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2675   -0.4886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0498    0.2288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3298   -0.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6471    0.1642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9271   -0.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2443    0.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5243   -0.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4870   -2.1821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8416    0.0349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1963   -0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2275    0.4803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5100    1.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0355    1.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 18  1  0
M  END
$$$$
Mol_2132
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -6.0312   -1.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8073   -1.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4443   -1.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2204   -2.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -1.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3664   -2.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7294   -1.7522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0373   -2.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1400   -1.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5137   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8082    1.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5003    2.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3976    1.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0732    1.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5536    2.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0244    3.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5048    4.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0239   -0.2814    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 13 18  1  0
 18  7  1  0
 18 10  1  0
M  END
$$$$
Mol_2133
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.1159   -3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2686   -2.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1843   -2.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5370   -1.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1564   -0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7528    1.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9724    1.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5150    1.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0222    1.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0271    0.6856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1420   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6376   -0.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5227    0.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4078    2.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0183    0.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  6  8  1  0
  8  9  1  0
 10  9  1  1
 10 11  1  0
 11 12  1  6
 12 13  1  0
 13 14  1  0
 13 15  1  0
 11  2  1  0
 13 10  1  0
M  END
$$$$
Mol_2134
     RDKit          2D

 25 24  0  0  0  0  0  0  0  0999 V2000
  -15.5885   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2894    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9904   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6913    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3923   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0933    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0933    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6913    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9904   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5885   -0.3600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
M  END
$$$$
Mol_2135
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.9266   -0.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0179    0.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5970    1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5300    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4590   -1.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8740   -1.8308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7211   -1.9537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0842    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9332    0.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3655    0.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6955   -1.2237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4676    1.2570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  4  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
  9  4  1  0
M  END
$$$$
Mol_2136
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
  -12.2170   -0.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9049    0.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6193   -0.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3072    0.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0217   -0.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7096    0.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4240   -0.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1119    0.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8263   -0.4178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5142    0.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7714   -0.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0834    0.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3690   -0.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6811    0.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -0.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5644   -0.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8764    0.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9029    1.6253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1620   -0.6473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
M  END
$$$$
Mol_2137
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
   11.5071    3.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0198    3.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4448    1.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9575    1.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3825    0.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8952   -0.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3202   -1.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8329   -1.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2579   -3.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7706   -3.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8583   -2.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6290   -2.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5413   -1.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0286   -1.2898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9409   -0.0991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4282   -0.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3405    0.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8278    0.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4029   -0.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7401    1.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2275    1.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1398    2.8887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
M  END
$$$$
Mol_2138
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -2.8175   -1.8406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7614   -0.7755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1557    0.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6062    1.0538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0995    1.7368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3510    1.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7453   -0.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2224    0.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0847   -0.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8563   -2.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3758   -2.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3108   -1.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0824    0.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3981    0.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0038    2.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7962    1.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 12  2  1  0
 12  7  1  0
 14  9  1  0
M  END
$$$$
Mol_2139
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
  -12.2170   -0.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9049    0.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6193   -0.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3072    0.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0217   -0.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7096    0.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4240   -0.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1119    0.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8263   -0.4178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5142    0.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7714   -0.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0834    0.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3690   -0.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6811    0.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -0.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5644   -0.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8764    0.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9029    1.6253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1620   -0.6473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
M  END
$$$$
Mol_2140
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.2667   -2.5545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2381   -1.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0749   -0.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3595   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6725   -0.3790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9571   -1.1536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2701   -0.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2987    1.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0141    1.8459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7011    1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5227   -0.2802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4941    1.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7787    1.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0917    1.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1203   -0.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8357   -1.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 10  5  1  0
 16 11  1  0
M  END
$$$$
Mol_2141
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -3.1158    1.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4104    0.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2042   -0.9283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9113    0.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1175    1.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3816    1.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0870    0.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4108    0.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7923   -1.1324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2932   -1.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2059   -1.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9997   -2.3031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11  4  1  0
 10  7  1  0
M  END
$$$$
Mol_2142
     RDKit          2D

 24 24  0  0  0  0  0  0  0  0999 V2000
  -12.5983   -2.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2016   -2.1677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9768   -0.6846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5801   -0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3554    1.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9586    1.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7866    0.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3899    1.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2179    0.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8211    1.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6491    0.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2524    0.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9197   -0.2117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3164    0.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4884   -0.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8851   -0.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0572   -0.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4539   -0.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7173   -1.2518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8767   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2086    0.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7021   -1.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3298    1.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8324    1.0082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 20 23  1  0
 23 24  1  0
 24 18  1  0
M  END
$$$$
Mol_2143
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.8494    0.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5352   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4754   -1.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5475   -1.2706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9241   -0.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9118   -2.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4079    0.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4202    1.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0513    1.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1944    0.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7212    0.3044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8794    0.7311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
  9  2  1  0
 11  5  1  0
M  END
$$$$
Mol_2144
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.1651    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660   -0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4330   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1830   -1.2990    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3170    1.2990    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    0.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
M  END
$$$$
Mol_2145
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
    2.0857   -2.3869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0438   -0.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3214   -0.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2795    1.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9600    2.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6824    1.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6371    2.0388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7243   -0.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7380    0.8434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1491    1.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6579   -0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1667   -1.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0690    0.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2468   -0.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4608   -1.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0281   -2.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  1  0
  8  2  1  0
 14  9  1  0
 16  2  1  0
M  END
$$$$
Mol_2146
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    4.1578   -1.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7651   -0.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9073    0.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2195    1.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9203    2.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5780    2.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0690    4.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7996    1.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3567    0.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0724   -1.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7593   -2.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5572   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0369   -2.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4209   -2.5807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8382   -2.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15  2  1  0
M  END
$$$$
Mol_2147
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -2.8115    1.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0608    0.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4701   -0.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7996   -1.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3898   -1.8164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7588   -0.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1686   -1.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3171   -0.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0559    1.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6461    1.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4975    0.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9123    1.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  2  1  0
 11  6  1  0
M  END
$$$$
Mol_2148
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
   12.9227   -0.6265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6522    0.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3264   -0.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0559    0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7301   -0.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4596    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1338   -0.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8633    0.4584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375   -0.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2670    0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0588   -0.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3293    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6552   -0.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9256    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0273    2.2424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4820    2.6082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2794    1.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3175    0.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8334   -1.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8715   -2.3728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3111   -1.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8269   -2.8879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2730   -0.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7572    1.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 18 14  1  0
 24 17  1  0
M  END
$$$$
Mol_2149
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.3809   -3.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7470   -1.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1899   -1.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5561    0.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4794    1.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0366    0.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4028    2.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0401    1.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4829    1.5592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8491    0.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2919   -0.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6581   -1.7603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3685    0.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724   -0.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6704   -0.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 10 14  1  0
 14 15  1  0
 15  2  1  0
 15  6  1  0
M  END
$$$$
Mol_2150
     RDKit          2D

 27 31  0  0  0  0  0  0  0  0999 V2000
    6.7272   -2.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0511   -1.3880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9447   -0.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5144   -0.8269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4079    0.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9776   -0.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5023   -1.6885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024   -1.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4494   -0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6556    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0860    0.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1924    1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6227    0.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9467   -0.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8402   -1.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4099   -1.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3035   -2.2834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4397   -0.8540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0385    0.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9155    1.5158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1804    2.0685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3196    2.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7714    0.6258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7319    1.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1622    2.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2686    1.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6990    1.5412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 14 18  1  0
 18 19  1  0
 19 20  1  0
 10 21  1  0
 21 22  1  0
 22 23  1  0
  5 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 26  3  1  0
 23  6  1  0
 23  9  1  0
 16 11  1  0
 20 13  1  0
M  END
$$$$
Mol_2151
     RDKit          2D

 24 24  0  0  0  0  0  0  0  0999 V2000
  -10.4953   -0.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1192   -0.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9142   -1.0729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0853   -2.5631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5380   -0.4760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3669    1.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9908    1.6111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7858    0.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4097    1.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2386    2.8049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2047    0.4214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1714    1.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3764    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7525    0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9575   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3336    0.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5386   -0.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9148    0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1198   -0.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4959   -0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7009   -1.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0770   -0.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9569   -0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3330   -1.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
  8 23  1  0
 23 24  1  0
 24  5  1  0
M  END
$$$$
Mol_2152
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.8626    2.7426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9512    1.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6987    0.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7873   -1.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1284   -1.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5348   -1.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1938   -1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0587   -2.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3998   -1.3845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6523   -2.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4884    0.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6604    1.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1323    2.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6339    2.3846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2359    0.9383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1051    0.2664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16  7  1  0
 15 11  1  0
M  END
$$$$
Mol_2153
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.7030   -1.3033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1433    0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6582    0.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0985    1.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3866    1.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3120    0.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7522   -0.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7328   -0.8811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9028   -1.6324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1736   -0.8355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8085    0.6194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
  8  3  1  0
 11  6  1  0
M  END
$$$$
Mol_2154
     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
  -10.2093    0.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8175    0.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6371    0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2454    0.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0650   -0.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6732    0.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4928   -0.6943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1011   -0.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0793   -1.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4711   -0.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6515   -1.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0433   -0.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3139   -1.6640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4647   -0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9052    0.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7023    1.9606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2013    1.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4087    0.5879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  2  0
 18 12  1  0
M  END
$$$$
Mol_2155
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
   12.3430    0.7450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0935   -0.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1876   -1.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7501    0.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5006   -0.2477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1571    0.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0631    1.9164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9076   -0.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5641    0.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3146   -0.5734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9712    0.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7217   -0.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6218   -0.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8713   -0.8990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2148   -0.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4643   -1.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8078   -0.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9018    1.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2453    1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4947    0.9395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4007   -0.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0572   -1.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7955   -1.1096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7515    0.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9476    1.3127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 22 17  1  0
 25 20  1  0
M  END
$$$$
Mol_2156
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
  -12.2170   -0.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9049    0.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6193   -0.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3072    0.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0217   -0.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7096    0.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4240   -0.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1119    0.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8263   -0.4178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5142    0.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7714   -0.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0834    0.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3690   -0.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6811    0.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -0.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5644   -0.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8764    0.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9029    1.6253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1620   -0.6473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
M  END
$$$$
Mol_2157
     RDKit          2D

 47 51  0  0  0  0  0  0  0  0999 V2000
    1.6733   -8.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8032   -7.0924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5138   -5.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0944   -5.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8050   -3.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6144   -3.1783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9349   -2.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6454   -1.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7753   -0.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4859    1.2532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0665    1.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0634    0.7519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4827    1.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6126    0.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0320    0.7358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1619   -0.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8724   -1.7226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5812    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7111   -0.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1305   -0.2669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2604   -1.2534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6797   -0.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.4199    1.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7722    2.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1915    3.1942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7771    3.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5844    2.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7143    3.2425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1650    2.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8756    4.2129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4841   -2.1756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -3.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6437   -4.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 13 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
  9 33  1  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 36 39  2  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 42 43  1  0
 41 44  2  0
 33 45  2  0
 45 46  1  0
 46 47  2  0
 47  3  1  0
 46  7  1  0
 31 11  1  0
 44 34  1  0
 26 20  1  0
M  CHG  1  45   1
M  END
$$$$
Mol_2158
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.0949   -3.7186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2008   -2.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4455   -0.7898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1208    0.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3098    1.1257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2922   -0.8816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5912   -2.3515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2867   -1.1089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7173   -0.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9230   -1.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8570    2.7486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9020    3.1525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9820   -0.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4126   -0.6784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  1  1
  8  9  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  6
 12 13  1  0
 11 14  1  0
 14 15  1  1
 14 16  1  0
 16 17  1  6
  5 18  1  0
 18 19  1  6
 18 20  1  0
 20 21  1  1
 20 22  1  0
 22 23  1  6
 22  3  1  0
 16  7  1  0
M  END
$$$$
Mol_2159
     RDKit          2D

 51 56  0  0  0  0  0  0  0  0999 V2000
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    6.2341    0.3840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2014    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3605   -0.4646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7973   -0.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  1
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
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 16 17  2  0
 17 18  1  0
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 21 22  1  0
 21 23  1  0
 23 24  2  0
 13 25  2  0
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 25 27  1  0
 28 27  1  1
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 31 32  1  0
 30 33  1  0
 33 34  1  6
 33 35  1  0
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 35 37  1  0
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 27 39  2  0
 39 40  1  0
  8 41  1  0
 41 42  2  0
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 49 51  2  0
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 42  5  1  0
 51 44  1  0
 39 10  1  0
 24 18  1  0
 37 28  1  0
M  END
$$$$
Mol_2160
     RDKit          2D

 24 23  0  0  0  0  0  0  0  0999 V2000
  -14.8350   -0.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5266    0.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2372   -0.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9287    0.4506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6393   -0.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3309    0.4178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0414   -0.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7330    0.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4436   -0.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1351    0.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7522   -0.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0606    0.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8542    0.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1437   -0.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4521    0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4710    1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7415   -0.6112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
M  END
$$$$
Mol_2161
     RDKit          2D

 31 32  0  0  0  0  0  0  0  0999 V2000
    6.8203   -3.1845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4793   -2.5123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7974   -1.1679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2039   -1.3209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2922   -2.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3681    1.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0272    1.6739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2254    0.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1371   -0.6487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  4  3  1  6
  4  5  1  0
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  6  9  1  0
  9 10  1  1
 11 10  1  1
 11 12  1  0
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 26 27  1  6
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 23 11  1  0
M  END
$$$$
Mol_2162
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    1.2717   -1.9622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1946   -0.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3762    1.8496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  2  8  1  0
  8  9  2  0
  8 10  1  0
M  CHG  2   7  -1  10  -1
M  END
$$$$
Mol_2163
     RDKit          2D

 58 62  0  0  0  0  0  0  0  0999 V2000
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   -1.1236   -4.3511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8177   -4.8161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
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 10 11  2  0
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 13 14  1  0
 13 15  1  0
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  6 18  1  0
 18 19  1  0
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 38 39  1  0
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 47  5  1  0
 57 49  1  0
 17 10  1  0
 31 22  1  0
 46 39  1  0
M  END
$$$$
Mol_2164
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.8254    0.0221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3278    0.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6517    1.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6675    0.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1652    0.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8413    1.6969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9867   -0.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0086   -1.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8129   -2.3200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5062   -1.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
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  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
  9 11  2  0
 11  2  1  0
M  END
$$$$
Mol_2165
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -6.8532   -1.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4257   -2.4533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3130   -1.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6277    0.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5150    1.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8298    2.4918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2573    2.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875    0.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7727   -0.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8854   -1.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3452   -1.3628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7675   -0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1950   -0.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9373   -2.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0500   -1.7389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7352   -0.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8479    0.7336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2754    0.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3077    0.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9929    1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1056    2.6609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4527    1.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9748    1.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2896    3.0370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 24 25  2  0
 10  3  1  0
 20 13  1  0
 24  8  1  0
M  END
$$$$
Mol_2166
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.6234    0.5791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1666    0.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7480   -1.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2912   -1.5765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7469   -0.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3138   -1.8824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2461   -0.5406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7540    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5687    1.7900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3282    0.9467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1286    1.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  2  1  0
 10  5  1  0
M  END
$$$$
Mol_2167
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -7.3395    0.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9868   -0.3446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7490    0.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8640    1.9984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6263    2.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2736    2.1975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1586    0.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8059    0.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6909   -1.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6618   -2.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7768   -3.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8995   -1.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2522   -1.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3672   -3.3864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4900   -1.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3750    0.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6127    1.2995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9654    0.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0222    1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9072    2.5959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1450    3.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7845    0.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4318    0.9011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3963   -0.1454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2813   -1.6410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5190   -2.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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 10 11  2  0
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 24  3  1  0
 23  8  1  0
 22 12  1  0
M  END
$$$$
Mol_2168
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
    2.0026    2.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8546    0.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8611    1.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6370    1.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5115    0.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1040   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5475   -1.2701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9551    0.1735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3626    1.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3987   -0.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3399   -1.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0268   -1.9769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5586   -2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9253   -1.6152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0733   -0.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4400    0.4957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4879    0.1339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  6 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 11 17  1  0
 15  2  1  0
 17  2  1  0
  8  5  1  0
M  END
$$$$
Mol_2169
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -5.2182   -2.1453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0752   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3449    0.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7577    0.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0274    2.2814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8843    3.2527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4401    2.7856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625   -1.6782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2400   -3.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7407   -3.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2364   -1.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1508   -1.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3386   -2.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1391   -3.5798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7258   -1.5226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3125    0.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5119    2.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8992    2.5920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9369    2.3669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375    0.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5497    1.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3502    0.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625    1.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2248    0.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4242   -0.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7012   -0.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  2  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
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 26 27  1  0
 27 28  1  0
 28 29  1  0
 28  8  1  0
 28 11  1  0
 25 12  1  0
 23 17  1  0
M  END
$$$$
Mol_2170
     RDKit          2D

 30 29  0  0  0  0  0  0  0  0999 V2000
   16.2643   -1.6309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2418   -0.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5294    0.6383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9316    0.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6440   -0.1701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3338    0.5603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0462   -0.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7361    0.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4484   -0.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1383    0.4823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8506   -0.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5405    0.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 29  2  0
 28 30  1  0
M  END
$$$$
Mol_2171
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.3669   -2.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3590   -1.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3432    1.6354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6462    0.8923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  4  5  1  0
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 18 19  1  0
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 18  3  1  0
 13  7  1  0
M  END
$$$$
Mol_2172
     RDKit          2D

 28 33  0  0  0  0  0  0  0  0999 V2000
   -5.4997   -0.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3086   -0.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2770   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7324    0.2736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5414    1.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0366    1.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1018    3.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1984    1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  1
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 14  3  1  0
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 28 23  1  0
 20  5  1  0
M  END
$$$$
Mol_2173
     RDKit          2D

 27 32  0  0  0  0  0  0  0  0999 V2000
   -5.6589    0.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4130    1.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9589    2.4305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3008    1.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  3  4  1  0
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  9 10  1  0
 10 11  1  0
 11 12  1  6
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 13  3  1  0
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 10  4  1  0
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 27 22  1  0
 19  5  1  0
M  END
$$$$
Mol_2174
     RDKit          2D

 28 33  0  0  0  0  0  0  0  0999 V2000
   -5.4997   -0.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3086   -0.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0366    1.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8190    2.5845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1018    3.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6260    2.6919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1984    1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  3  4  1  0
  5  4  1  1
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  6  7  1  6
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 10 11  1  0
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 14  3  1  0
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 11  4  1  0
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 28 23  1  0
 20  5  1  0
M  END
$$$$
Mol_2175
     RDKit          2D

 25 30  0  0  0  0  0  0  0  0999 V2000
   -4.4656   -1.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2192   -0.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5026    1.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0031    1.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0291    2.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5475    1.4422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4769   -4.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  8  9  1  0
  9 10  2  0
 10 11  1  0
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 24 25  1  0
 20  3  1  0
 18  5  1  0
 17  6  1  0
 16  8  1  0
 21  8  1  0
 14  9  1  0
M  END
$$$$
Mol_2176
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -7.8442    3.4387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5444    1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2177
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2178
     RDKit          2D

 63 71  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2179
     RDKit          2D

  6  4  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2   2  -1   6   1
M  END
$$$$
Mol_2180
     RDKit          2D

105119  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2181
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
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  7  8  1  0
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  9 10  1  0
 10 11  1  0
 10 12  1  0
 12  6  1  0
M  END
$$$$
Mol_2182
     RDKit          2D

 63 71  0  0  0  0  0  0  0  0999 V2000
    7.6107   -6.8574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21  6  1  0
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M  END
$$$$
Mol_2183
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  6
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M  END
$$$$
Mol_2184
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
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    0.4160   -5.5089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2080   -2.9869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
  4 12  1  0
 12 13  1  0
 13 14  2  0
 15 14  1  1
 15 16  1  0
 16 17  1  0
 17 18  1  1
 18 19  1  0
 17 20  1  0
 20 21  1  6
 20 22  1  0
 22 23  1  1
 22 24  1  0
 24 25  1  6
 14 26  1  0
 26 27  1  0
 26 28  2  0
 28 29  1  0
 29 30  1  0
 29 31  2  0
 31  2  1  0
 11  5  1  0
 31 13  1  0
 24 15  1  0
M  END
$$$$
Mol_2185
     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -3.9739    2.1609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2416    0.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0092   -0.4370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5091   -0.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7418    0.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0095   -0.4777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4904   -0.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2098   -1.9717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2065   -2.4655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    0.9825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4121    1.9309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8145    1.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9766    2.3473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0549   -0.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4573   -0.6140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8928   -1.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1332   -2.5109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
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 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16  7  1  0
M  ISO  1   1   2
M  END
$$$$
Mol_2186
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -4.5903    0.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3444   -0.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4449   -1.7419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9981    0.4160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7522   -0.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8527   -1.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3932   -2.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7396   -2.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9854   -2.9253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8400   -0.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1864    0.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2869    1.5646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0410    2.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6946    1.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5942    0.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6517    1.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0831    0.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2889    1.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0789    2.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 12 17  1  0
 17 18  1  0
 17 19  1  0
 15  5  1  0
 17  5  1  0
 15 10  1  0
M  END
$$$$
Mol_2187
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -4.5596    1.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5573    0.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0226   -1.3534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0897    0.3826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0874   -0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3802   -0.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8455    1.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3131    1.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3154    0.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8501   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3825   -1.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8478   -0.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5476    0.9382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8345    0.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 11  6  1  0
 12  9  1  0
M  END
$$$$
Mol_2188
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -4.7785   -0.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3080    0.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8294    1.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3590    1.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3671    0.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1033    1.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951   -0.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5656    0.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5574   -0.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0442    1.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6165   -1.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1461   -1.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8457   -0.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3243   -2.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3162   -0.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  1
  7  8  1  1
  8  9  1  0
  8 10  1  0
  7 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  1
 13 15  1  0
 15  2  1  6
 13  5  1  0
 15  6  1  0
M  END
$$$$
Mol_2189
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -3.7110    0.7996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3117    0.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0798   -1.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6805   -1.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4870   -0.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8864   -1.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0539   -0.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8220    1.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4227    1.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552    0.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1442    1.2012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  2  1  0
 10  5  1  0
M  END
$$$$
Mol_2190
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
   -5.2874   -3.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5225   -1.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9406   -2.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2502   -0.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4780    0.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9782    0.7537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7059    2.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2057    2.0911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9337    3.3514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2061    2.0397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7063    2.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9787    0.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2510   -0.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7508   -0.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0232   -1.8954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4766   -1.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2487   -0.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4762   -1.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9759   -1.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7036   -3.3098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2479   -0.7378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7853    2.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4386    1.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7243    2.5609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5207    0.6252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7930    1.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2932    1.9626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5211    0.6766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2506   -0.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0227   -1.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  6 10  1  0
 10 11  1  0
 11 12  1  0
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 12 14  1  0
 14 15  2  0
 15 16  1  0
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 17 18  1  0
 18 19  1  0
 18 20  1  0
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 31 32  1  0
 32 33  1  0
 14 34  1  0
 34 35  1  0
 35  2  1  0
 34  6  1  0
 32 12  1  0
 32 17  1  0
 29 18  1  0
M  END
$$$$
Mol_2191
     RDKit          2D

 33 32  0  0  0  0  0  0  0  0999 V2000
  -20.7846   -0.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.4856    0.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.1865   -0.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.8875    0.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5885   -0.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2894    0.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9904   -0.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6913    0.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3923   -0.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0933    0.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 32  1  0
 32 33  1  0
M  END
$$$$
Mol_2192
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.8470   -3.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  2  3  1  0
  3  4  1  0
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 12  2  1  0
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M  END
$$$$
Mol_2193
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -3.6555    1.1442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1277   -2.5788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  6
  7  9  1  0
  9 10  1  1
  9 11  1  0
 11 12  1  1
 11  3  1  0
M  END
$$$$
Mol_2194
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.8265   -0.4968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4596    0.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0146    1.0759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
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  6  7  1  0
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  9 10  2  0
 10 11  1  0
 11  7  1  0
M  END
$$$$
Mol_2195
     RDKit          2D

 44 48  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2196
     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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 21  2  1  0
M  END
$$$$
Mol_2197
     RDKit          2D

 34 35  0  0  0  0  0  0  0  0999 V2000
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    1.3149   -1.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
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  7 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
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 28 29  1  0
 28 30  2  0
 24 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  1  0
 22 12  1  0
 34 14  1  0
M  END
$$$$
Mol_2198
     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
   -2.4542   -3.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1353   -2.9935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1429   -3.7785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0946   -1.4941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2243   -0.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9388   -2.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4902    0.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9897    0.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7041    1.8989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2036    1.9396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9181    3.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9885    0.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5432   -0.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5839    1.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9028    2.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1810    1.3638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4999    2.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1403   -0.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8214   -0.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
  5 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 13  1  0
M  END
$$$$
Mol_2199
     RDKit          2D

 46 52  0  0  0  0  0  0  0  0999 V2000
    0.7626    0.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0046   -0.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4077   -1.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5687   -0.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9717   -0.6952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1327    0.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5357   -0.2760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6967    0.6738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0998    0.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3418   -1.3372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4547    2.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6157    3.1039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0517    2.6847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8097    4.1650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4876    2.2655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1564   -1.5336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  6  5  1  1
  6  7  1  0
  7  8  1  0
  8  9  1  1
  9 10  1  0
  8 11  1  0
 11 12  1  6
 11 13  1  0
 13 14  1  1
 13 15  1  0
 15 16  1  6
  3 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  1
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 23 24  1  1
 24 25  1  0
 26 25  1  1
 27 26  1  6
 27 28  1  0
 28 29  1  6
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 30 31  1  0
 31 32  1  6
 31 33  1  0
 33 34  1  0
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 35 36  1  0
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 38 39  1  1
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 20 46  1  1
 46  2  1  0
 15  6  1  0
 44 23  1  0
 44 26  1  0
 40 27  1  0
 30 28  1  0
 38 31  1  0
M  END
$$$$
Mol_2200
     RDKit          2D

 45 50  0  0  0  0  0  0  0  0999 V2000
    3.5574    4.6043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3133    3.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4171    2.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7649    1.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2165   -0.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3203   -2.0396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6681   -2.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7719   -4.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5278   -5.0324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2599   -2.5182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0524    0.4746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  2  0
  3  4  1  0
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 43 26  1  0
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 38 32  1  0
M  END
$$$$
Mol_2201
     RDKit          2D

 56 62  0  0  0  0  0  0  0  0999 V2000
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    8.4544    2.1918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4281    2.5878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.8566    2.9807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7411    4.4762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1507    4.2763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9786    5.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8631    6.8195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3315    4.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5689    5.5239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4469    3.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7998    2.5328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7345    0.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4971   -0.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1442    0.4374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2779   -2.5623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  6  5  1  1
  6  7  1  0
  7  8  1  0
  8  9  1  1
  9 10  1  0
  8 11  1  0
 11 12  1  6
 11 13  1  0
 13 14  1  1
 13 15  1  0
 15 16  1  6
  3 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  1
 21 23  1  0
 23 24  1  1
 24 25  1  0
 26 25  1  1
 26 27  1  0
 27 28  1  0
 28 29  1  1
 29 30  1  0
 30 31  1  0
 31 32  1  1
 28 33  1  0
 33 34  1  1
 33 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  1  1
 35 39  1  0
 39 40  1  0
 40 41  1  1
 42 41  1  1
 42 43  1  0
 43 44  1  0
 44 45  1  1
 45 46  1  0
 44 47  1  0
 47 48  1  6
 47 49  1  0
 49 50  1  1
 49 51  1  0
 51 52  1  6
 40 53  1  0
 53 54  1  0
 54 55  1  6
 20 56  1  1
 56  2  1  0
 15  6  1  0
 31 23  1  0
 54 33  1  0
 31 26  1  0
 51 42  1  0
 27 37  1  6
M  END
$$$$
Mol_2202
     RDKit          2D

 20 23  0  0  0  0  0  0  0  0999 V2000
    4.7672    0.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5571   -0.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5629   -1.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1381   -2.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2518   -0.8503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3815   -2.0661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1122   -1.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7396   -0.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333   -0.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6840   -0.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1096   -1.9228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8607    0.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9945    2.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5008    2.0213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8734    0.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0072    1.8835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6203    0.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6196    1.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0880    1.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1287    0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
  5 20  1  0
 19  2  1  0
 20  2  1  0
 17  5  1  0
 15  8  1  0
M  END
$$$$
Mol_2203
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -2.5981    0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
M  END
$$$$
Mol_2204
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.3420    1.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4856    0.2645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9909    0.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3526    1.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1421    1.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9985    0.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4932    0.7685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3603   -0.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1344   -0.8409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7726   -2.1984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0839   -3.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
  9  3  1  0
M  END
$$$$
Mol_2205
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.4214   -2.2269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2071   -0.7423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8143   -0.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3643   -1.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7571   -0.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9357   -1.4846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9714    0.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7929    1.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7786    2.2269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9  3  1  0
M  END
$$$$
Mol_2206
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.4580    0.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9819    0.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0129   -0.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5368   -0.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0297    1.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4464    1.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4154    0.4364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8915    0.7032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9084   -0.9752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4323   -1.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0748   -2.6537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 10  4  1  0
M  END
$$$$
Mol_2207
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -3.9374    0.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4382    0.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6477   -0.6295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1484   -0.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6420   -1.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1413   -1.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5604    0.7397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0596    0.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7684    2.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
M  END
$$$$
Mol_2208
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -2.3243   -2.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9330   -2.3152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7229   -0.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9041    0.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6940    1.5798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8752    2.5043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3028    2.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8784    1.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2697    1.7765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4509    0.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6683   -0.2693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8495   -1.1939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6395   -2.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  2  0
 11 12  1  0
 12 13  1  0
 11  3  1  0
M  END
$$$$
Mol_2209
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.7120   -1.3457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3377   -0.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0162    0.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0126    1.8418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4766    0.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2351    2.1616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0776   -0.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9513   -1.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3816    0.2347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0436   -1.5031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10  2  1  0
M  END
$$$$
Mol_2210
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.2531   -1.1851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6067    0.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4558    1.4051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1113    0.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6730    1.5641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1314    1.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2485   -0.2821    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8624   -0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5115   -2.3139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8  4  2  0
M  END
$$$$
Mol_2211
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.6042   -1.6317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3906   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0360   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9176    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0360    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3906    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6042    1.6317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  2  1  0
M  END
$$$$
Mol_2212
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
M  END
$$$$
Mol_2213
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.4185   -1.0669    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0102   -0.5504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8588   -1.5117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5495   -0.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8757   -1.6960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9521   -0.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2911    0.6952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8063    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3452    1.4440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0884    2.9219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7535    0.9275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11  2  1  0
  8  4  2  0
M  END
$$$$
Mol_2214
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -3.1179   -0.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6648    0.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8857   -1.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2416    0.8206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6947    1.1925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
M  END
$$$$
Mol_2215
     RDKit          2D

 23 22  0  0  0  0  0  0  0  0999 V2000
  -13.7892   -0.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4742    0.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1855   -0.7851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9354    1.4924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
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  9 10  1  0
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 21 22  1  0
 21 23  1  0
M  END
$$$$
Mol_2216
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
  -13.4081   -0.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1001    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9730   -0.5626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2809    0.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5708   -0.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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 20 21  1  0
 21 22  1  0
M  END
$$$$
Mol_2217
     RDKit          2D

 41 44  0  0  0  0  0  0  0  0999 V2000
    1.0326    1.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5341    3.1557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9403    3.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.8411    1.7044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3397    3.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8171    0.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3186   -0.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2945   -1.9885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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M  END
$$$$
Mol_2218
     RDKit          2D

 51 55  0  0  0  0  0  0  0  0999 V2000
    3.9923    1.1443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7451    2.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3402    3.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1825    2.1956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2224    2.7212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7849    2.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9425    1.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  2  0
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 21 12  1  0
M  END
$$$$
Mol_2219
     RDKit          2D

 58 62  0  0  0  0  0  0  0  0999 V2000
   17.7450    0.3398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0599    3.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2220
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2221
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2222
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2223
     RDKit          2D

 60 64  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2224
     RDKit          2D

 32 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2225
     RDKit          2D

 34 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2226
     RDKit          2D

 31 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2227
     RDKit          2D

 35 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2228
     RDKit          2D

 42 47  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_2229
     RDKit          2D

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$$$$
Mol_2230
     RDKit          2D

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$$$$
Mol_2231
     RDKit          2D

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M  END
$$$$
Mol_2232
     RDKit          2D

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M  END
$$$$
Mol_2233
     RDKit          2D

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M  END
$$$$
Mol_2234
     RDKit          2D

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M  END
$$$$
Mol_2235
     RDKit          2D

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$$$$
Mol_2236
     RDKit          2D

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M  END
$$$$
Mol_2237
     RDKit          2D

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M  END
$$$$
Mol_2238
     RDKit          2D

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M  END
$$$$
Mol_2239
     RDKit          2D

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$$$$
Mol_2240
     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2241
     RDKit          2D

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 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
M  END
$$$$
Mol_2242
     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -6.1421   -1.2669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6461   -1.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8034   -2.3984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9929    0.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4969    0.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8436    1.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6863    2.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3476    1.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4951    0.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9912    0.6303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8339   -0.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4104    0.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0502   -1.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2023    0.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9859    0.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6176    0.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    0.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4655   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6818   -2.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 11  1  0
 19 13  1  0
M  END
$$$$
Mol_2243
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -3.5448   -1.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6749    0.0836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2982    1.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1817   -0.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3117    1.1631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1815    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0514    2.2427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8048   -0.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1691    0.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4281   -1.7080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9348   -1.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5584   -1.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12  4  1  0
 11  8  1  0
M  END
$$$$
Mol_2244
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -3.7238    1.7135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2709    0.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7540    0.0923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3349   -0.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8518   -0.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3047    0.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1784    0.9905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1144   -0.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5975    0.0429    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2876    1.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7675    1.1300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9920   -0.3531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6509   -1.0249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5673   -1.5783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9158   -1.8029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
  8 14  1  0
 14 15  2  0
 15  5  1  0
 13  9  1  0
M  END
$$$$
Mol_2245
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
    8.1654    1.6151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6665    1.5597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8690    2.8301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9650    0.2338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4660    0.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6685    1.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1695    1.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4681    0.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6706    1.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0309    0.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7324   -1.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0651   -2.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5641   -2.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2656   -1.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7645   -1.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5588   -2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1921   -1.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2314   -1.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5710   -2.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1932   -2.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5851   -1.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4836   -0.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6346    0.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0431   -0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3772    1.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9687    2.4908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5282    2.9367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0289   -0.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9548    1.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3274    1.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8284    1.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 11 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
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 25 26  2  0
 25 27  1  0
 22 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 15  5  1  0
 28 18  1  0
 14  8  1  0
 31 10  1  0
M  END
$$$$
Mol_2246
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -3.1271   -1.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750   -0.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1229    1.2957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750   -0.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1271   -1.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3729   -1.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250   -0.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250   -0.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3771    1.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1229    1.2908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3032    0.0399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0531    0.0421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  7 11  1  0
 11 12  1  0
 10  4  1  0
 12  4  1  0
M  END
$$$$
Mol_2247
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.6529   -3.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0488   -3.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2223   -4.2948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2712   -1.8770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0977   -0.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8706   -1.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3527   -3.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6281   -1.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9905   -3.3233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9226   -1.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9846   -2.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3202   -1.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6576   -2.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0837   -0.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1430    1.0566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6019    0.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4503    1.7197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5160    2.8932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3787    4.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0956    3.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1579    4.8740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3600    3.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1178    4.3074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3886    1.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6636    0.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8031    1.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9616    0.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5403    2.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4204   -1.0296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  2  3
 18 19  1  0
 18 20  1  0
 20 21  1  0
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 22 23  1  0
 22 24  1  0
 24 25  1  0
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 26 27  1  0
 26 28  1  0
 16 29  1  0
 25  5  1  0
 16 10  1  0
 26 24  1  0
 29 10  1  0
M  END
$$$$
Mol_2248
     RDKit          2D

 15 18  0  0  0  0  0  0  0  0999 V2000
   -4.3624    1.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5047   -0.0901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1415   -1.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0101    0.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3733    1.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1213    1.5231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9790    0.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7543    1.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3422   -1.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4370   -2.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7505   -1.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8847   -0.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1524   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4674    0.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8080    1.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 13  4  1  0
 14  7  1  0
 13  9  1  0
 14 11  1  0
M  END
$$$$
Mol_2249
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
    5.4459    2.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9494    2.4580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2900    3.8053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1122    1.2133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6158    1.3160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8192    2.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    3.9785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6358    2.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7384    0.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0439   -0.0131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2759    0.8426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2803   -1.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2695   -2.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2272   -2.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8663   -3.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3611   -3.9855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -2.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4422   -1.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2814   -3.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5776   -1.3965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0828   -1.2715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1223   -0.1370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.7258   -1.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
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 10 11  2  0
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 20 21  1  0
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 22 23  1  0
 12 24  1  0
 24 25  1  0
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 27 28  1  0
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 29 30  1  0
 29 31  1  0
 22  5  1  0
 29 24  1  0
 22  9  1  0
 27  9  1  0
 21 14  1  0
M  END
$$$$
Mol_2250
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
   -2.9227   -2.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8148   -1.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0566   -0.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8980   -1.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2983    0.4610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6186    1.8872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7616    0.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  6  7  1  0
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  9 10  1  0
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 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
M  END
$$$$
Mol_2251
     RDKit          2D

 15 18  0  0  0  0  0  0  0  0999 V2000
   -3.9794    0.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5416   -0.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2784   -1.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4447    1.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2139    2.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2238    1.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7442    1.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6327   -0.6086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4317   -1.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2563   -0.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7053    1.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 13  2  1  0
 14  7  1  0
 13  9  1  0
 14 11  1  0
M  END
$$$$
Mol_2252
     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    6.9278   -2.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3172   -1.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1985    0.1397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8254   -0.9179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2148    0.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7229    0.6085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -0.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3499   -0.4491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2607    0.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6338   -0.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.3800   -2.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1093    0.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6205    2.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1123    1.9786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
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  9 10  1  0
 10 11  1  0
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 13 14  1  0
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 15 16  1  0
 15 17  1  0
  9 18  1  0
 18 19  2  0
 19  6  1  0
M  END
$$$$
Mol_2253
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.2771   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5271    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2771    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0271   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2771   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2229   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9729    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1220   -0.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1220    0.9642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2229    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2771    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  1  0
 11  4  1  0
M  END
$$$$
Mol_2254
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -2.4084    1.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8643    0.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8029   -1.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3817   -0.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0003    1.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4973    1.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414   -0.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4921   -0.3915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8801   -0.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4532   -1.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  9  4  1  0
 10  4  1  0
M  END
$$$$
Mol_2255
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.5714    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0714   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1786   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9286    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1786    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
M  END
$$$$
Mol_2256
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
    3.8716    0.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5116    0.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3795   -1.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2836    0.9223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0764    0.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3639   -1.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8529   -1.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1642   -0.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8767    0.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6594    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7550   -0.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6799    0.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4100   -1.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  7  6  1  1
  7  8  1  0
  8  9  1  0
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 10 11  1  1
 10 12  1  0
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 12 14  1  0
 10  5  1  0
 12  7  1  0
M  END
$$$$
Mol_2257
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -5.3511   -1.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3123   -0.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8558   -0.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4380   -2.1450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8170    0.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2348    1.8184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1960    2.9005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2605    2.5420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6783    1.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3605    0.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3476   -1.3031    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8241   -1.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0088   -1.9582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3979   -1.3921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6023    0.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4175    1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0284    0.4478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
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  6  7  1  0
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 10 11  1  0
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 13 14  1  0
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 10  5  1  0
 17 12  1  0
 17  9  1  0
M  END
$$$$
Mol_2258
     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -0.1881   -4.8889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0040   -3.4002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3773   -2.8153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5744   -3.7191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5614   -1.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9426   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1267    0.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    1.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6921    2.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4949    3.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1136    3.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9295    1.6507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3642   -0.4229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0171   -1.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2012   -2.4965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0302    1.3846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2273    2.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6086    1.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8058    2.6072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7927    0.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5955   -0.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
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  5 13  1  0
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 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 12  7  1  0
 22 16  1  0
M  END
$$$$
Mol_2259
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2260
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2261
     RDKit          2D

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M  END
$$$$
Mol_2262
     RDKit          2D

 67 74  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2263
     RDKit          2D

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M  END
$$$$
Mol_2264
     RDKit          2D

 68 75  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2265
     RDKit          2D

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M  END
$$$$
Mol_2266
     RDKit          2D

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M  END
$$$$
Mol_2267
     RDKit          2D

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$$$$
Mol_2268
     RDKit          2D

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$$$$
Mol_2269
     RDKit          2D

 58 64  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_2270
     RDKit          2D

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M  END
$$$$
Mol_2271
     RDKit          2D

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M  END
$$$$
Mol_2272
     RDKit          2D

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    9.9214    1.1801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4180    0.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0168    1.9305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6598    3.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7109    4.1264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075    3.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8063    4.8768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1564    2.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2959    2.7366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5446   -1.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1434   -2.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1945   -3.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7934   -5.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
  3  4  1  1
  4  5  2  0
  5  6  1  0
  7  6  1  6
  7  8  1  0
  8  9  1  6
  8 10  1  0
 10 11  1  0
 11 12  1  1
 11 13  1  0
 13 14  1  6
 13 15  1  0
 15 16  1  6
 15 17  1  0
 17 18  1  0
 15 19  1  0
 19 20  1  6
 20 21  1  0
 21 22  1  0
 22 23  1  6
 22 24  1  0
 24 25  1  1
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  6
 29 30  2  0
 29 31  1  0
 32 31  1  1
 32 33  1  0
 33 34  1  0
 34 35  1  1
 35 36  1  0
 37 36  1  1
 37 38  1  0
 38 39  1  0
 39 40  1  1
 40 41  1  0
 39 42  1  0
 42 43  1  6
 44 43  1  6
 44 45  1  0
 45 46  1  0
 46 47  1  1
 46 48  1  0
 48 49  1  6
 48 50  1  0
 50 51  1  1
 50 52  1  0
 52 53  1  1
 42 54  1  0
 54 55  1  1
 54 56  1  0
 56 57  1  6
 34 58  1  0
 58 59  1  6
 58 60  1  0
 60 61  1  1
 60 62  1  0
 62 63  1  6
 28 64  1  0
 64 65  1  0
 65 66  1  0
 66 67  1  1
 66  2  1  0
 28  3  1  0
 62 32  1  0
 24  4  1  0
 56 37  1  0
 22  7  1  0
 52 44  1  0
 19  8  1  0
M  END
$$$$
Mol_2273
     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -3.3481    0.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.9706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8481   -2.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -1.7206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.9706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8481   -2.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -1.7206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.9706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.4706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  3  0
  7 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 12 15  1  0
 11 16  2  0
 16 17  1  0
 16  5  1  0
M  CHG  2   8   1  17  -1
M  END
$$$$
Mol_2274
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  2  1  0
M  END
$$$$
Mol_2275
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.7272   -0.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7549    0.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2796    0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2901   -1.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0036   -1.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2434    1.7779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1995    0.6221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6053    0.0991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  7  3  1  0
M  END
$$$$
Mol_2276
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.5981   -1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  2  1  0
M  END
$$$$
Mol_2277
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.5718    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4379   -0.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0205   -0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7370    0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6803    1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9638    2.9459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8142    0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5308   -0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6646   -1.9640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1134   -1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10  3  1  0
M  END
$$$$
Mol_2278
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    2.2705   -0.0492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8589   -0.5565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5925   -2.0327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2862    0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6826    1.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1588    1.2910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2551   -0.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7478   -2.1444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4313    1.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8430    0.8739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  4  9  1  0
  9 10  1  0
M  CHG  2   2   1   3  -1
M  END
$$$$
Mol_2279
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.9643   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7143   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9643   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5357   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2857   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7857   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5357    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5357   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5357    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9643    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7143    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9643    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7143    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2143    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  5  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  2  0
 13 14  1  0
 13  3  1  0
M  END
$$$$
Mol_2280
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.6294   -3.1699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9034   -1.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5963   -1.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222   -0.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8220   -0.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5479    0.8233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5484    0.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2744    2.0806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9513    0.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7251    2.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2248    1.9978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6772   -0.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  4  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
  9 12  2  0
 12  2  1  0
M  END
$$$$
Mol_2281
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.0000   -0.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.8187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.5196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.0785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.0785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  9  2  2  0
M  END
$$$$
Mol_2282
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.2711    4.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3927    2.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0066    1.4939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4988    1.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1126   -0.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6048   -0.1802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2342   -1.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5842   -1.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8247   -2.6864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7420   -1.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8637   -2.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6285   -2.1539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2424   -0.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3640    0.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9778    1.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4700    1.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3484    0.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8406    0.8889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4544    2.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7346   -0.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6129   -1.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1052   -1.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9991   -3.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1282    0.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144    1.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  2  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 14 24  1  0
 24 25  1  0
 24  3  1  0
 24 10  1  0
 20 13  1  0
M  END
$$$$
Mol_2283
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -5.3774   -2.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4990   -1.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9502   -1.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 31  6  1  0
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 26 17  1  0
M  END
$$$$
Mol_2284
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -2.7173   -4.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0159   -2.9803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1156   -1.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9965    1.6045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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 14  8  1  0
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M  END
$$$$
Mol_2285
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.4825   -2.4900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5952   -1.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1705    0.0282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3117    1.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9155    2.6751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1990    0.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6901    0.2562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 10  2  1  0
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M  END
$$$$
Mol_2286
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.9904   -0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6913    0.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   -0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4952    0.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3923   -0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6913    0.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9904   -0.3571    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 19 20  1  0
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M  END
$$$$
Mol_2287
     RDKit          2D

 28 28  0  0  0  0  0  0  0  0999 V2000
    3.0676   -3.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -1.7785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9986   -0.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5866   -0.6449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1718   -0.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5390   -1.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1137    5.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3748    4.8328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2288
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -3.8971    0.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2990    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
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  7  9  1  0
  9 10  1  0
M  END
$$$$
Mol_2289
     RDKit          2D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -5.7255    1.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4592    2.3449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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 18  7  1  0
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M  END
$$$$
Mol_2290
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.6401   -1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135   -0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6317    1.9374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6401   -1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.5844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9  2  1  0
M  END
$$$$
Mol_2291
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2292
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2293
     RDKit          2D

 44 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2294
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2295
     RDKit          2D

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$$$$
Mol_2296
     RDKit          2D

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$$$$
Mol_2297
     RDKit          2D

 34 33  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_2298
     RDKit          2D

 33 32  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_2299
     RDKit          2D

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M  END
$$$$
Mol_2300
     RDKit          2D

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M  END
$$$$
Mol_2301
     RDKit          2D

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M  END
$$$$
Mol_2302
     RDKit          2D

 40 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2303
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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 12 13  1  0
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 14  5  1  0
M  END
$$$$
Mol_2304
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
  -11.6913   -0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2305
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2306
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
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 10 11  2  0
 11 12  1  0
M  END
$$$$
Mol_2307
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2308
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
    2.0065    0.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2309
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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    0.2347    3.3433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0
  2  4  1  0
  4  5  1  0
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 10 11  2  0
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 11  6  1  0
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M  END
$$$$
Mol_2310
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
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 11 12  1  0
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 23  6  1  0
 29  7  1  0
 23 11  2  0
 21 14  1  0
M  END
$$$$
Mol_2311
     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
    6.7032   -1.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3188   -2.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7421   -2.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1265    0.8817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5499    1.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4502    3.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1655   -1.7607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
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 30  6  1  0
 30 18  2  0
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M  END
$$$$
Mol_2312
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.3001    5.7798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7497    4.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6405   -1.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4962    0.0493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  4  5  1  0
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 30  8  1  0
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M  END
$$$$
Mol_2313
     RDKit          2D

 24 23  0  0  0  0  0  0  0  0999 V2000
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    5.8356    0.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5540   -0.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2314
     RDKit          2D

 53 53  0  0  0  0  0  0  0  0999 V2000
   12.4627    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  1  0
  6  7  1  0
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 10 11  2  0
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 20 21  1  0
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 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
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 32 35  1  0
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 39 40  1  0
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 17 12  1  0
 34 29  1  0
 53 46  1  0
 43 32  1  0
M  END
$$$$
Mol_2315
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
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   -1.2990   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5490   -1.4490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    1.1490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
M  ISO  6   1   2   3   2   4   2   8   2   9   2  10   2
M  END
$$$$
Mol_2316
     RDKit          2D

  3  3  0  0  0  0  0  0  0  0999 V2000
    0.8660   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4330    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4330   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  1  1  0
M  END
$$$$
Mol_2317
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.0812   -2.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0120   -1.4682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4481   -1.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5413   -0.8743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1983    0.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7622    1.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4193    2.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0168    2.9126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6691   -0.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7670    0.4252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8602   -0.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2963   -0.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3895   -1.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6392    1.2915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  6  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
  9  2  1  0
M  END
$$$$
Mol_2318
     RDKit          2D

 57 56  0  0  0  0  0  0  0  0999 V2000
  -15.5989    7.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1087    7.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5117    8.6057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0215    8.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1282    7.5718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7252    6.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8319    4.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3417    5.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7448    6.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2546    6.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3613    5.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8711    5.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9778    4.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4876    4.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5943    3.4361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1041    3.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7892    2.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2794    2.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8763    3.9494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1727    1.3683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6629    1.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5562    0.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0464    0.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9396   -0.6996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4299   -0.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0268    0.8476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5170    1.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1139    2.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2207    3.5999    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.4257    4.4931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0156    2.7066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3274    4.8049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4103   -0.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9005   -0.0152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8133   -1.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7066   -2.7674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3231   -1.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7262   -3.1096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9592   -1.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4690   -1.2128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5757   -0.0078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8721   -2.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819   -2.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7849   -4.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7053   -4.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3022   -5.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7924   -5.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3894   -7.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8796   -7.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4765   -8.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9667   -8.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5636  -10.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0539  -10.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6508  -11.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1410  -12.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7379  -13.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 22 21  1  6
 22 23  1  0
 23 24  1  0
 25 24  1  1
 25 26  1  0
 26 27  1  0
 27 28  1  6
 28 29  1  0
 29 30  2  0
 29 31  2  0
 29 32  1  0
 27 33  1  0
 33 34  1  1
 33 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 22 39  1  0
 39 40  1  0
 40 41  2  0
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 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
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 47 48  1  0
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 49 50  1  0
 50 51  1  0
 51 52  1  0
 52 53  1  0
 53 54  1  0
 54 55  1  0
 55 56  1  0
 37 25  1  0
M  CHG  2  32  -1  57   1
M  END
$$$$
Mol_2319
     RDKit          2D

 47 50  0  0  0  0  0  0  0  0999 V2000
  -21.1246    2.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.6740    2.7459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.6180    1.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.1674    2.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.1115    0.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6609    1.3788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6049    0.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1543    0.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0984   -0.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6478    0.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5918   -1.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1412   -0.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0853   -1.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6347   -1.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5788   -2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1282   -2.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7335   -0.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0722   -3.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3784   -2.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7730   -1.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2236   -0.8935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2796   -1.9588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6742   -0.5117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8849   -3.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9409   -4.4713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3915   -4.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7861   -2.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7302   -1.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1248   -0.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5754    0.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6314   -0.8134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1751    0.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2367   -2.2606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4911   -3.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6610   -2.1443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1296   -0.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9522    0.5128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4497    0.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2771    1.8524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0996    3.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4246    4.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2471    5.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5720    7.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9270    4.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2519    5.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1045    3.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4343   -3.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 19 18  1  1
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  1
 22 24  1  0
 24 25  2  0
 25 26  1  0
 27 26  1  6
 27 28  1  0
 28 29  1  1
 29 30  1  0
 30 31  1  0
 31 32  1  1
 31 33  1  0
 33 34  1  1
 34 35  1  0
 36 35  1  1
 36 37  1  0
 37 38  1  1
 37 39  1  0
 39 40  1  0
 41 40  1  6
 41 42  1  0
 42 43  1  0
 41 44  1  0
 44 45  1  0
 44 46  1  0
 24 47  1  0
 47 19  1  0
 28 22  1  0
 36 31  1  0
 33 27  1  0
M  END
$$$$
Mol_2320
     RDKit          2D

 67 75  0  0  0  0  0  0  0  0999 V2000
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   -5.2640   -2.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8233   -3.4007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2321
     RDKit          2D

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M  END
$$$$
Mol_2322
     RDKit          2D

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M  END
$$$$
Mol_2323
     RDKit          2D

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$$$$
Mol_2324
     RDKit          2D

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   -7.2431    2.6244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1527    0.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1698    1.9652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5990   -0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0623   -0.8989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5819   -1.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  4  3  1  1
  4  5  1  0
  5  6  1  6
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  7  8  1  0
  7  9  1  0
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 10 11  1  1
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 16 17  1  0
 17 18  1  0
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 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  2  0
 23 24  1  0
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 34 46  1  0
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 49 50  1  0
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 47 55  1  0
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 55 57  1  0
 58 57  1  6
  2 59  1  0
 59 60  2  0
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 58  4  1  0
 67 59  1  0
 58 10  1  0
 23 15  1  0
 43 24  1  0
 53 46  1  0
 44 29  1  0
 45 33  1  0
 45 39  2  0
M  END
$$$$
Mol_2325
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
  -12.2170   -0.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9049    0.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6193   -0.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3072    0.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4240   -0.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1119    0.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8263   -0.4178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7714   -0.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9667   -0.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8764    0.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9029    1.6253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1620   -0.6473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
M  CHG  1  20  -1
M  END
$$$$
Mol_2326
     RDKit          2D

 78 88  0  0  0  0  0  0  0  0999 V2000
   -4.3830   -6.1877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1331   -4.7086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.3326   -5.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7235   -5.9036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.3054   -2.9329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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 77 78  1  0
 71  2  1  0
 35  5  1  0
 47 39  1  0
 66 48  1  0
 77 70  1  0
 34  9  1  0
 67 53  1  0
 21 13  1  0
 29 22  1  0
 68 57  2  0
 68 62  1  0
M  END
$$$$
Mol_2327
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -6.5763   -1.0040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1338   -0.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3263    1.2735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2488    0.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2912    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2078    1.9955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6192    0.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0279    0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2862   -1.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1784    1.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3744   -0.2840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6138   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0563   -1.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
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 13 14  1  0
 14 15  2  0
  9 16  1  0
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 17 18  2  0
 18  2  1  0
 16  6  1  0
 15 10  1  0
M  END
$$$$
Mol_2328
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -3.4762   -2.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3976   -1.0019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2403    1.9940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
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 13  3  1  0
 11  5  2  0
M  END
$$$$
Mol_2329
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -6.0840   -2.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9940   -1.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3415    0.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2330
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2331
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2332
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2333
     RDKit          2D

 40 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2334
     RDKit          2D

 71 79  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2335
     RDKit          2D

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M  END
$$$$
Mol_2336
     RDKit          2D

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M  END
$$$$
Mol_2337
     RDKit          2D

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M  END
$$$$
Mol_2338
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2339
     RDKit          2D

 66 65  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2340
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2341
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2342
     RDKit          2D

 23 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
  3  4  1  0
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M  END
$$$$
Mol_2343
     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2344
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2345
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2346
     RDKit          2D

 24 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2347
     RDKit          2D

 78 88  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2348
     RDKit          2D

 46 50  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_2349
     RDKit          2D

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M  END
$$$$
Mol_2350
     RDKit          2D

 35 34  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_2351
     RDKit          2D

 25 24  0  0  0  0  0  0  0  0999 V2000
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   10.5412    0.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8502   -0.1402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8704   -1.6401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1390    0.6272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4480   -0.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
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 10 11  2  0
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 22 24  1  0
 24 25  1  0
M  END
$$$$
Mol_2352
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.4878   -1.7359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0963   -0.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9197   -1.6440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4117   -0.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10  4  1  0
M  END
$$$$
Mol_2353
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
  -12.0861   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7768    0.4492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2943   -0.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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 18 19  1  0
 19 20  1  0
M  END
$$$$
Mol_2354
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -4.0703    1.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9409   -1.3720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
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 14 15  1  0
 11  5  1  0
M  END
$$$$
Mol_2355
     RDKit          2D

  3  3  0  0  0  0  0  0  0  0999 V2000
    0.8660   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4330    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4330   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  1  1  0
M  END
$$$$
Mol_2356
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
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   -4.3577   -3.9599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2357
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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  2  5  1  0
  5  6  1  0
M  END
$$$$
Mol_2358
     RDKit          2D

 60 63  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2359
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2360
     RDKit          2D

 63 72  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2361
     RDKit          2D

 53 58  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2362
     RDKit          2D

 63 72  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2363
     RDKit          2D

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$$$$
Mol_2364
     RDKit          2D

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M  END
$$$$
Mol_2365
     RDKit          2D

 30 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2366
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2367
     RDKit          2D

 25 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2368
     RDKit          2D

 27 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2369
     RDKit          2D

 46 45  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2370
     RDKit          2D

 36 35  0  0  0  0  0  0  0  0999 V2000
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    8.5133   -0.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8168    0.2752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1113   -0.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4148    0.2598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7094   -0.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0128    0.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3074   -0.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6108    0.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9054   -0.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2089    0.2137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2178    1.7137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5035   -0.5440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
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 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
M  END
$$$$
Mol_2371
     RDKit          2D

 25 24  0  0  0  0  0  0  0  0999 V2000
  -15.5885   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2894    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9904   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6913    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3923   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0933    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6913    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9904   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5885   -0.3600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
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 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
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 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
M  END
$$$$
Mol_2372
     RDKit          2D

 29 28  0  0  0  0  0  0  0  0999 V2000
  -18.1865   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.8875    0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5885   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -12.9904   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.3923   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0933    0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952    0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952    0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933    0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6913    0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9904   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894    0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5885   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8875    0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865   -0.3621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
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 13 14  1  0
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 17 18  1  0
 18 19  1  0
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 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
M  END
$$$$
Mol_2373
     RDKit          2D

 23 22  0  0  0  0  0  0  0  0999 V2000
  -14.2894   -0.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9904    0.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6913   -0.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3923    0.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0933   -0.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942    0.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952   -0.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    0.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952   -0.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942    0.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933   -0.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923    0.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6913   -0.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9904    0.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   -0.3587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
M  END
$$$$
Mol_2374
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
   12.8623    0.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5724   -0.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2644    0.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9745   -0.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6665    0.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3766   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0686    0.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7787   -0.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4707    0.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1808   -0.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1272    0.2842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4171   -0.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7250    0.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0149   -0.5127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3229    0.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6128   -0.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9208    0.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2107   -0.5753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5187    0.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5368    1.6589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8086   -0.6066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
M  END
$$$$
Mol_2375
     RDKit          2D

 31 31  0  0  0  0  0  0  0  0999 V2000
  -18.7444    0.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.4178    0.7112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.1482   -0.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8216    0.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5520   -0.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2254    0.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9558   -0.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6292    0.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3596   -0.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0330    0.3160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7634   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4368    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1672   -0.5816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5710   -0.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7556    0.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0252   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3518   -0.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6214   -0.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2175   -0.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442   -0.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8137   -1.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1404   -0.3755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1974    1.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5240    1.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5811    3.3224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7936    1.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7366   -0.4743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0061   -1.2731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4099   -1.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
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 17 18  1  0
 18 19  1  0
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 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 28 29  1  0
 29 30  1  0
 29 31  2  0
 31 24  1  0
M  END
$$$$
Mol_2376
     RDKit          2D

 31 30  0  0  0  0  0  0  0  0999 V2000
   19.3995    0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1050   -0.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8015    0.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5070   -0.3424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2035    0.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9090   -0.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6054    0.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3109   -0.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0074    0.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4094    0.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0
  5  6  1  0
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 29 30  2  0
 29 31  1  0
M  END
$$$$
Mol_2377
     RDKit          2D

 29 29  0  0  0  0  0  0  0  0999 V2000
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   -7.0126   -0.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7529   -1.3155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1572   -1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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 29 22  1  0
M  END
$$$$
Mol_2378
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
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   -0.6171   -3.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  3  2  1  1
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  4  5  2  3
  5  6  1  0
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  8  9  1  6
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 11 10  1  6
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M  END
$$$$
Mol_2379
     RDKit          2D

 35 34  0  0  0  0  0  0  0  0999 V2000
  -22.0836   -0.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.0836   -0.3643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0
  4  5  1  0
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M  END
$$$$
Mol_2380
     RDKit          2D

 32 31  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0
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  6  7  1  0
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 30 31  2  0
 30 32  1  0
M  END
$$$$
Mol_2381
     RDKit          2D

 27 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2382
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2383
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -3.8971   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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M  END
$$$$
Mol_2384
     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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 11  5  1  0
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M  END
$$$$
Mol_2385
     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2386
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2387
     RDKit          2D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2388
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 14  3  1  0
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M  END
$$$$
Mol_2389
     RDKit          2D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2390
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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M  END
$$$$
Mol_2391
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2392
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.3570    3.4185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2393
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2394
     RDKit          2D

  2  1  0  0  0  0  0  0  0  0999 V2000
    0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
M  END
$$$$
Mol_2395
     RDKit          2D

 24 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2396
     RDKit          2D

 26 31  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2397
     RDKit          2D

 23 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2398
     RDKit          2D

 24 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2399
     RDKit          2D

 38 44  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2400
     RDKit          2D

 46 51  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0
  3  4  2  0
  5  3  1  6
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  6  7  1  6
  8  7  1  1
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 19  9  2  0
 18 11  1  0
M  END
$$$$
Mol_2401
     RDKit          2D

 25 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
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 20  4  1  0
 23  6  1  0
 17  7  1  0
 16 10  1  0
 21 17  1  0
M  END
$$$$
Mol_2402
     RDKit          2D

 31 30  0  0  0  0  0  0  0  0999 V2000
  -19.4856   -0.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.0933   -0.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.4856   -0.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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  9 10  1  0
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 29 30  1  0
 30 31  1  0
M  END
$$$$
Mol_2403
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -2.0785    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7794    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
M  END
$$$$
Mol_2404
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -5.4033   -2.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4817    2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0037    2.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
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  6  7  1  0
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  9 10  1  0
 10 11  1  0
 10 12  1  0
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 13 14  1  0
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 29 30  1  0
 30 31  1  0
 14  2  1  0
 30 17  1  0
 13  6  1  0
 27 18  1  0
 30 10  1  0
M  END
$$$$
Mol_2405
     RDKit          2D

 36 35  0  0  0  0  0  0  0  0999 V2000
   20.2191    1.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4154    0.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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 10 11  1  0
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 29 30  1  0
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 34 35  2  0
 34 36  1  0
M  END
$$$$
Mol_2406
     RDKit          2D

 34 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2407
     RDKit          2D

 25 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2408
     RDKit          2D

 41 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2409
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2410
     RDKit          2D

 32 37  0  0  0  0  0  0  0  0999 V2000
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   -4.2459    1.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7782    2.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
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 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
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 15 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
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 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  2  0
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 27 28  1  0
 28 29  1  0
 27 30  1  0
 30 31  1  0
 31 32  1  0
 31  2  1  0
 29  5  1  0
 30  5  1  0
 27  8  1  0
 24 10  1  0
 22 14  1  0
M  END
$$$$
Mol_2411
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.9904   -0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6913    0.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3923   -0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0933    0.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942   -0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952    0.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952    0.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942   -0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933    0.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923   -0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6913    0.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9904   -0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
M  END
$$$$
Mol_2412
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
  -13.6412   -0.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3394    0.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0431   -0.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7414    0.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4450   -0.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1433    0.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8470   -0.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5453    0.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2489   -0.3633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9472    0.3820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6509   -0.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6509    0.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9472   -0.3820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2489    0.3633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5453   -0.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8470    0.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433   -0.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4450    0.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7414   -0.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0431    0.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3394   -0.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6412    0.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
M  END
$$$$
Mol_2413
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
  -12.3424    0.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0401   -0.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7443    0.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4420   -0.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1463    0.3439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8440   -0.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5482    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2459   -0.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9502    0.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6479   -0.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6479    0.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9502   -0.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2459    0.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5482   -0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8440    0.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1463   -0.3439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4420    0.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7443   -0.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0401    0.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3424   -0.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
M  END
$$$$
Mol_2414
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
  -11.6913   -0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3923    0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0933   -0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942    0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952   -0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952   -0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942    0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933   -0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923    0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6913   -0.3553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
M  END
$$$$
Mol_2415
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -1.8187    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5196    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5196   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7794    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0785   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
M  END
$$$$
Mol_2416
     RDKit          2D

 36 35  0  0  0  0  0  0  0  0999 V2000
  -22.7336   -0.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.4336    0.4037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.1356   -0.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.8355    0.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.5375   -0.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2375    0.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9394   -0.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6394    0.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3414   -0.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0413    0.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7433   -0.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4432    0.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1452   -0.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8452    0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5471   -0.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2471    0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9491   -0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6490    0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6490   -0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9491    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2471   -0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5471    0.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8452   -0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1452    0.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4432   -0.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7433    0.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0413   -0.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3414    0.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6394   -0.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9394    0.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2375   -0.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5375    0.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8355   -0.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1356    0.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4336   -0.4037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7336    0.3446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
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 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
M  END
$$$$
Mol_2417
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    2.1340   -1.6609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9771   -0.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1906    0.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5609    0.1026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6067    0.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4498    1.9327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6067   -0.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4498   -1.9327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9771    0.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1340    1.6609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1906   -0.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5609   -0.1026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
M  END
$$$$
Mol_2418
     RDKit          2D

 18 21  0  0  0  0  0  0  0  0999 V2000
   -5.4719   -0.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0495   -1.4577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9260   -0.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250    1.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1015    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6791    1.5240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6265    2.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0623    2.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0562    1.6057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5802    0.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3188   -1.1223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3054   -2.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6044   -3.6981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9404   -1.6061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1103   -0.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7324    1.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3801    0.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5035   -0.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18  3  1  0
 17  6  1  0
 16  7  1  0
 15 10  1  0
M  END
$$$$
Mol_2419
     RDKit          2D

 28 28  0  0  0  0  0  0  0  0999 V2000
    5.6240   -1.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2871   -1.7546    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    2.9501   -2.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9672   -3.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6069   -0.4177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1090   -0.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.9987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2466    2.2562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7445    2.1768    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    3.8240    3.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6651    0.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2424    2.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0690    1.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8852    2.3367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3343    1.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4994    2.8941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4138    0.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6723   -0.3646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0084    0.3172    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -5.6902   -1.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3265    1.6533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3444    0.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0137   -0.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6264   -1.5361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6878   -2.5961    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -0.6278   -3.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7477   -1.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7491   -3.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
  7 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 19 22  1  0
 17 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
 23 13  1  0
M  END
$$$$
Mol_2420
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    3.7286    1.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5453    0.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1643   -0.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9810   -1.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    0.4099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4143   -0.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6119    0.7275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9929    0.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1905    1.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1762   -1.3469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  3
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
M  END
$$$$
Mol_2421
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    1.5153   -3.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1034   -1.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2024   -0.7347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5399   -0.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1778   -1.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2832   -1.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7197   -0.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1807    0.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2053   -0.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6172    1.7191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6951    1.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7660    0.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7906    1.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3541    3.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2516    1.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  1
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  1
  8  9  2  0
  8 10  1  0
  7 11  1  0
 11 12  1  0
 12 13  1  1
 13 14  2  0
 13 15  1  0
 12  3  1  0
M  END
$$$$
Mol_2422
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -5.2901   -0.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8994    0.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7172   -0.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3265   -0.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1180    1.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2727    1.9425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4549    1.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8456    1.5812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0277    0.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2463   -0.4663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4284   -1.3896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2199   -2.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1444   -1.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  2  0
 13  4  1  0
M  END
$$$$
Mol_2423
     RDKit          2D

 34 33  0  0  0  0  0  0  0  0999 V2000
  -21.3600   -0.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.0561    0.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.7620   -0.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.4580    0.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.1640   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8600    0.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5660   -0.3297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2620    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9679   -0.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6640    0.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3699   -0.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0660    0.3775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7719   -0.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4679    0.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1739   -0.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8699    0.3432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5759   -0.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7281    0.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0222   -0.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3261    0.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6202   -0.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9241    0.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2182   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5222    0.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8162   -0.4839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1202    0.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4142   -0.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7182    0.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0123   -0.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3162    0.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6103   -0.5353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9142    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9241    1.7061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2083   -0.5524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
M  END
$$$$
Mol_2424
     RDKit          2D

 29 28  0  0  0  0  0  0  0  0999 V2000
  -15.6816    1.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2411    2.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1586    1.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7181    1.6824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6357    0.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1952    1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1127    0.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6722    0.4419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5898   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1493   -0.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0668   -1.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6263   -0.7986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5439   -1.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9020   -3.2937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8966   -1.4189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9791   -2.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4196   -2.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7777   -0.5825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5020   -3.0776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9425   -2.6594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0250   -3.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3006   -1.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7412   -0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0993    0.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5398    1.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8979    2.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3384    2.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6965    4.4217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1371    4.8399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
M  END
$$$$
Mol_2425
     RDKit          2D

 25 24  0  0  0  0  0  0  0  0999 V2000
   13.1097   -1.6840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0964   -0.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3888    0.5774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7908    0.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4985   -0.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1928    0.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9005   -0.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5949    0.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3025   -0.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9969    0.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7045   -0.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3989    0.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1066   -0.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1991    0.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4914   -0.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7970    0.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0894   -0.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3950    0.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6873   -0.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9930    0.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2853   -0.3911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5910    0.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8833   -0.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1889    0.3244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4813   -0.4371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
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 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
M  END
$$$$
Mol_2426
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -5.6862   -0.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4684   -0.9467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1011   -0.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9515    1.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5842    1.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4347    3.2718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3664    0.9035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5160   -0.5890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -1.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0328   -2.6983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7018   -1.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5523   -2.9573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0692   -0.8480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2870   -1.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6543   -1.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8039    0.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5861    1.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2187    0.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0009    1.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1505    3.0128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  8 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
  9  3  1  0
 18 13  1  0
 19  7  1  0
M  END
$$$$
Mol_2427
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
  -12.2170   -0.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9049    0.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6193   -0.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3072    0.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0217   -0.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7096    0.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4240   -0.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1119    0.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8263   -0.4178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5142    0.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7714   -0.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0834    0.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3690   -0.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6811    0.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -0.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5644   -0.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8764    0.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9029    1.6253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1620   -0.6473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
M  END
$$$$
Mol_2428
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.3548   -3.6817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2832   -2.5036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7272   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2426   -0.8955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6866    0.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2020    0.7126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7264   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1703   -1.8586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2109   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7670    1.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2515    1.3576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8076    2.7507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1799    0.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6644    0.3944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6239   -1.2137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5523   -2.3918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1393   -1.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6150    1.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0589    3.0689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0995    1.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0280    2.6389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6556    0.0677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1401   -0.1473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  2  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
 17  9  1  0
M  END
$$$$
Mol_2429
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.0067    2.7526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6328    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8122    0.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    1.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3283    1.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7023    0.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1473   -0.3098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6312   -0.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0052   -2.4102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862   -0.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1152   -1.6053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3298   -1.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4008   -2.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8458   -1.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2198   -0.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1488    0.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5228    2.1048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7038    0.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18  2  1  0
 10  3  1  0
 18 12  1  0
M  END
$$$$
Mol_2430
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
   11.5495    0.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2613   -0.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9516    0.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6635   -0.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3538    0.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0657   -0.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7560    0.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4679   -0.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1582    0.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1299   -0.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4396    0.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7277   -0.5128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0374    0.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3256   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6352    0.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9234   -0.5873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2330    0.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2545    1.6439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5212   -0.6245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
M  END
$$$$
Mol_2431
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
  -12.2170   -0.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9049    0.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6193   -0.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3072    0.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0217   -0.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7096    0.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4240   -0.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1119    0.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8263   -0.4178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5142    0.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7714   -0.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0834    0.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3690   -0.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6811    0.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -0.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5644   -0.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8764    0.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9029    1.6253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1620   -0.6473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
M  END
$$$$
Mol_2432
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
  -11.6913   -0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3923    0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0933   -0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942    0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952   -0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952   -0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942    0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933   -0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923    0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6913   -0.3553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
M  END
$$$$
Mol_2433
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.5675   -0.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2478    0.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.6508    0.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 21  1  0
M  END
$$$$
Mol_2434
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
    3.4785   -0.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2668    0.2501    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2701    1.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8445    2.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4110    2.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  6  2  1  0
 12  5  1  0
M  END
$$$$
Mol_2435
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.7537   -0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3772   -0.0116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1657    1.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0969   -0.5019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 15  1  0
 21  3  1  0
M  END
$$$$
Mol_2436
     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -7.5601    0.7524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3021   -0.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2437
     RDKit          2D

 29 30  0  0  0  0  0  0  0  0999 V2000
   -5.5310   -4.4234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8394    0.0673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2438
     RDKit          2D

 14 16  0  0  0  0  0  0  0  0999 V2000
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 11  6  1  0
M  END
$$$$
Mol_2439
     RDKit          2D

 43 48  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2440
     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2441
     RDKit          2D

 25 31  0  0  0  0  0  0  0  0999 V2000
    3.1453    3.2884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2442
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2443
     RDKit          2D

 47 51  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2444
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2445
     RDKit          2D

 45 51  0  0  0  0  0  0  0  0999 V2000
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   -3.7536    4.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
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 13 14  1  0
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 15 16  1  0
 12 17  1  0
 17 18  1  0
 18 19  1  0
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 23 24  1  0
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 25 26  1  0
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 27 28  1  0
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 29 30  2  0
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  8  3  1  0
 15 10  1  0
 43 18  1  0
 40  5  1  0
 36  6  1  0
 27 19  1  0
 34 29  1  0
M  CHG  1  43   1
M  END
$$$$
Mol_2446
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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   -4.1427   -0.2619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2130   -2.5589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  6 12  1  0
 12 13  2  0
 13 14  1  0
 13  3  1  0
M  END
$$$$
Mol_2447
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -2.5981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  1  1  0
  9  4  1  0
M  END
$$$$
Mol_2448
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
    1.3904   -4.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3368   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0117   -2.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.5598   -0.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.9923    3.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8258   -0.0131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  2  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
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 23 24  1  0
 24 25  1  0
 25 26  1  0
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 27 28  1  0
 28 29  1  0
 29 30  1  0
 28 31  2  0
 31 32  1  0
 32 33  1  0
 31 34  1  0
 34 35  2  0
 20  3  1  0
 35 22  1  0
 18  5  1  0
 35 26  1  0
 17  8  1  0
M  END
$$$$
Mol_2449
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.5714    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0714   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1786    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
M  END
$$$$
Mol_2450
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
   -9.9737    3.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1872    2.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0
  5  6  1  0
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 39 40  1  0
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 41  2  1  0
 35  7  1  0
 17 11  1  0
 27 20  1  0
 29 15  1  0
M  END
$$$$
Mol_2451
     RDKit          2D

 33 34  0  0  0  0  0  0  0  0999 V2000
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    7.9500    2.4988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31  3  1  0
 26 17  1  0
M  END
$$$$
Mol_2452
     RDKit          2D

 25 29  0  0  0  0  0  0  0  0999 V2000
    6.9379   -2.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.6075   -0.2816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 24 25  1  0
 12  3  1  0
 22 17  1  0
 11  6  1  0
 25 19  1  0
 22  8  1  0
M  CHG  1   9   1
M  END
$$$$
Mol_2453
     RDKit          2D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -7.4040    2.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 25  7  1  0
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M  END
$$$$
Mol_2454
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
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 15  9  1  0
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M  END
$$$$
Mol_2455
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
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 12  2  1  0
  9  5  2  0
M  END
$$$$
Mol_2456
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2457
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -6.6776    1.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5213    0.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0082   -0.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2575    1.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2251    1.2996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7264   -1.6587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1644   -1.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
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 13 15  2  0
 15  8  1  0
M  END
$$$$
Mol_2458
     RDKit          2D

 29 31  0  0  0  0  0  0  0  0999 V2000
    6.4602    1.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3062    1.9883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8993    1.4679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7453    2.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3384    1.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0856    0.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2396   -0.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9868   -2.0094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1408   -2.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6465   -0.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8005   -0.9688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1857   -1.7387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1813   -3.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1797   -1.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6132    0.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1576    2.9429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3401    3.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 11 12  1  0
  6 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 20  2  0
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 21 22  2  0
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 25 26  1  0
 25 27  2  0
 23 28  1  0
 28 29  1  0
 10  3  1  0
 22 13  1  0
 29  5  1  0
M  END
$$$$
Mol_2459
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -7.0993   -0.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8251   -0.9146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5026   -0.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4544    1.2925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2284   -0.9981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9059   -0.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8577    1.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5352    1.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7391    1.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6909   -0.3738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6316   -1.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1018   -0.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1816   -2.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9440   -2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3848   -1.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4330   -0.2075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6742    0.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0220    0.3017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1798    1.5429    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6890    2.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
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 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 11  6  1  0
 18 12  1  0
 19  9  1  0
M  END
$$$$
Mol_2460
     RDKit          2D

 43 47  0  0  0  0  0  0  0  0999 V2000
  -10.1164    4.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2661    3.2912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0484    2.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6810    3.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4633    2.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6130    0.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3954   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5451   -1.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3274   -2.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4771   -4.0734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9600   -1.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8921   -4.3328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6 41  1  0
 41 42  2  0
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M  END
$$$$
Mol_2461
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
    1.7857   -4.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20  3  1  0
 34 22  1  0
 18  5  1  0
 34 26  1  0
 17  8  1  0
M  END
$$$$
Mol_2462
     RDKit          2D

 41 46  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
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 18  7  1  0
 41 21  1  0
 16  9  1  0
 34 23  1  0
 32 25  1  0
M  END
$$$$
Mol_2463
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
    4.0075    3.4367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3257    2.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1418    0.8421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6398    0.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4559   -0.3389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0881   -2.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7700   -1.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8277    2.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6175    1.4809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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 10  5  1  0
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 31 26  1  0
 32 15  1  0
M  END
$$$$
Mol_2464
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.0104    3.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3412    2.5314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3943    0.0396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4814   -0.9939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1298   -2.4522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9200   -0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4457   -1.1782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7102    1.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5845   -0.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 20  5  1  0
 15 10  1  0
 21 17  1  0
M  END
$$$$
Mol_2465
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
   -5.5717   -0.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3862    0.4627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9975   -0.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0153    2.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4040    2.8680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8299    3.2200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5588    2.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7442    3.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7620    1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1507    0.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3539   -0.8865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5164    0.6047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7426   -1.4536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  2  23   1  25  -1
M  END
$$$$
Mol_2466
     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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    5.3137    1.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8579    1.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.5911    1.7281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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 11  5  1  0
M  END
$$$$
Mol_2467
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.7152   -2.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6208   -1.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7747    2.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2837    2.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3961    1.0592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
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 12  6  1  0
 20 15  1  0
 13  8  1  0
M  END
$$$$
Mol_2468
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
  -11.8785    0.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2469
     RDKit          2D

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M  END
$$$$
Mol_2470
     RDKit          2D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2471
     RDKit          2D

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   -8.7861   -2.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
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 11 12  2  0
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 42  3  1  0
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 39 11  1  0
 36 17  1  0
 30 22  1  0
M  END
$$$$
Mol_2472
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    6.0409    0.9725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5540   -0.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5392   -1.5774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0818   -0.7339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0966    0.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6245    0.1095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6393    1.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8329    0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8181    2.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1574   -0.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  3
  7  8  1  0
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 10 11  2  0
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 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 13  8  1  0
 16 11  1  0
M  END
$$$$
Mol_2473
     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
   -8.1430    0.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7514    0.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5406    2.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5707   -0.3256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1791    0.2344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9984   -0.6907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2092   -2.1759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6068   -0.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4261   -1.0559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9655   -0.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1763    0.9892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5678    1.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7485    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1401    1.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3208    0.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1100   -1.2261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7124    0.8190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5377   -0.8610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1462   -1.4210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 10 11  2  0
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 15 17  1  0
 13 18  1  0
 18 19  2  0
 19 10  1  0
M  END
$$$$
Mol_2474
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
  -10.3535    4.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5077    3.3301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2926    2.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9234    3.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7083    2.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8626    0.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6475   -0.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8017   -1.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5867   -2.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7409   -4.0519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2174   -1.9474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0024   -2.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1566   -4.3190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8904   -0.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.4469    0.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 11 12  2  0
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 17 18  1  0
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 39 40  1  0
  6 41  1  0
 41 42  2  0
 42  3  1  0
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 39 11  1  0
 26 17  1  0
 36 28  1  0
M  END
$$$$
Mol_2475
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -5.8704   -0.6936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3827   -0.5020    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5743    0.9857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1911   -1.9898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8950   -0.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3171    1.0737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8294    1.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2514    2.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1612    3.8421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2363    2.8411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0804    0.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5681    0.2643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9951   -1.8277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9852   -1.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5632   -2.8873    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  2  5  1  0
  5  6  2  0
  6  7  1  0
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 17 18  1  0
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 20  5  1  0
 18 14  1  0
M  END
$$$$
Mol_2476
     RDKit          2D

 27 28  0  0  0  0  0  0  0  0999 V2000
   -2.4698    4.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0043    4.3160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5484    2.8869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9172    2.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9268    3.6765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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  4  5  2  0
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  6  7  1  0
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 10 11  1  0
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 14  9  1  0
 24 20  1  0
M  END
$$$$
Mol_2477
     RDKit          2D

 66 74  0  0  0  0  0  0  0  0999 V2000
    0.2275   -2.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0241    0.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2478
     RDKit          2D

 23 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2479
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -1.7834    1.8794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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 10 11  2  0
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M  END
$$$$
Mol_2480
     RDKit          2D

 13 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2481
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2482
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2483
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2484
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2485
     RDKit          2D

111117  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2486
     RDKit          2D

 14 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2487
     RDKit          2D

 58 64  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2488
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2489
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2490
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2491
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2492
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
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   -0.7783    2.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4437    1.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3013    0.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0630   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2054   -1.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5698   -2.3165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0166   -2.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3810   -1.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5233   -0.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8877    0.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1097   -0.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0301    1.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  6
  7  8  1  0
  8  9  1  1
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  6
 13 14  1  0
 13 15  1  0
  7  2  1  0
  8  5  1  0
 12  6  1  0
M  END
$$$$
Mol_2493
     RDKit          2D

 36 36  0  0  0  0  0  0  0  0999 V2000
  -16.5000   -5.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0000   -5.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2500   -3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7500   -3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0000   -2.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5000   -2.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500   -1.2269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500   -1.2269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000    0.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    0.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    1.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    2.6702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.3712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.9693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    5.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    6.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    6.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    5.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.9693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.3712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.6702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    1.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    1.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    0.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    0.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -1.2269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500   -1.2269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000   -2.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000   -2.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7500   -3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2500   -3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000   -5.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5000   -5.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 21 16  1  0
M  END
$$$$
Mol_2494
     RDKit          2D

 44 46  0  0  0  0  0  0  0  0999 V2000
   -3.8592    1.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7592   -0.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0053   -1.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3515   -0.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6977    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7977    1.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3798    3.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3064    1.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1439    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3900    1.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7362    2.2600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2900    0.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9438   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9051   -1.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8292   -1.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4130   -0.8752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3130   -2.3718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9668   -3.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8668   -4.5302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1129   -5.3652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4794   -5.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7255   -4.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0716   -5.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3178   -4.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6639   -4.8454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7640   -6.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9101   -4.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8100   -2.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0562   -1.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9561   -0.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2023    0.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6100    0.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5099    1.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1638    2.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5021    1.2918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6671    2.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9132    3.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8321    3.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4938    5.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6589    6.3763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9905    5.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8255    3.9841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0363    3.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9077    5.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  1  1
 10 12  1  0
 12 13  1  0
 13 14  1  1
 13 15  1  0
  2 16  2  3
 16 17  1  0
 17 18  2  3
 18 19  1  0
 19 20  1  0
 19 21  2  3
 21 22  1  0
 22 23  2  3
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 30 32  1  0
 32 33  2  3
 34 33  1  1
 34 35  1  0
 35 36  1  0
 36 37  1  1
 36 38  1  0
 38 39  1  0
 39 40  1  1
 39 41  1  0
 41 42  1  0
 42 43  1  0
 42 44  1  0
 13  5  1  0
 36 34  1  0
 42 34  1  0
M  END
$$$$
Mol_2495
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.4860   -2.8220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8326   -1.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6635   -1.3626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3169   -0.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8129    0.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6555   -1.1442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4743    1.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1277    2.5788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0217    1.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8643    2.3604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6751   -0.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1712   -0.3400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11  2  1  0
M  CHG  1   1  -1
M  END
$$$$
Mol_2496
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.6491    0.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.0000    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    2.6491   -0.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -0.4895   -2.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1595   -1.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -2.1595    1.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4895    2.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
 12  2  1  0
M  END
$$$$
Mol_2497
     RDKit          2D

  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
M  END
$$$$
Mol_2498
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -6.4717   -2.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6232   -1.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2702    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4217    1.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9262    1.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5732    2.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0777    2.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5822    2.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9353    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0868    2.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7838   -0.3039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1368   -1.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3587   -1.7735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2072   -0.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7027   -0.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -1.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3497   -2.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8452   -2.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6937   -0.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1891   -1.0020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0467    0.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9016    1.9606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4918    0.8698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5512    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042    1.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4087    2.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5602    0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2883   -0.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2792   -0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1277   -1.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4807   -2.7778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 21 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 11 29  1  0
 29 30  1  0
 30 31  1  0
 30  2  1  0
 29  5  1  0
 27  9  1  0
 27 14  1  0
 24 15  1  0
M  END
$$$$
Mol_2499
     RDKit          2D

 16 19  0  0  0  0  0  0  0  0999 V2000
    0.8937   -3.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2185   -2.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6865   -2.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4331   -1.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4166   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8665    1.2937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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 13  2  1  0
  7  5  1  0
 14 11  1  0
 13  5  1  0
M  END
$$$$
Mol_2500
     RDKit          2D

 16 19  0  0  0  0  0  0  0  0999 V2000
    0.1787    2.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0202    1.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5163    1.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3578    0.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7032   -0.8423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5525   -2.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3656    0.2915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4759    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  4  5  1  0
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  7  5  1  0
 12 10  1  0
 15  7  1  0
M  END
$$$$
Mol_2501
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -6.4717   -2.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6232   -1.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3497   -2.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6937   -0.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1891   -1.0020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4807   -2.7778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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  5  7  1  0
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  8  9  1  0
  9 10  1  0
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 24 15  1  0
M  END
$$$$
Mol_2502
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -3.9076   -1.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5919   -1.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5301   -2.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1252   -1.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3408   -2.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2384   -0.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6869   -0.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0806   -2.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3438    0.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0265    1.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3062    2.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6234    4.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1899    2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9123    0.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
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 11 13  1  0
 13 14  1  0
 14 15  1  0
 15  2  1  0
M  END
$$$$
Mol_2503
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
    2.6027    0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1027    0.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3452   -1.1308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1548   -1.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8973    0.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1397    1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3602    1.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3973    0.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5057   -0.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  5  4  1  6
  5  6  1  0
  7  6  1  1
  7  8  1  0
  8  9  1  0
  8 10  1  0
  7  2  1  0
  8  5  1  0
M  END
$$$$
Mol_2504
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -3.8971   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
M  END
$$$$
Mol_2505
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -2.6102   -2.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6603   -1.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2579    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8052    0.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4028    2.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0499    2.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    1.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5527    1.9027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6028    0.8317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    0.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7477   -0.9873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3954   -3.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7551   -0.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
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 10 11  1  0
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 10 14  2  0
 14  4  1  0
M  END
$$$$
Mol_2506
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -3.5285    0.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7082    0.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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 29 14  1  0
 27 17  1  0
M  END
$$$$
Mol_2507
     RDKit          2D

 67 70  0  0  0  0  0  0  0  0999 V2000
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  -10.9124    6.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2508
     RDKit          2D

  4  3  0  0  0  0  0  0  0  0999 V2000
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M  CHG  1   3  -1
M  END
$$$$
Mol_2509
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
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  9 10  2  0
 10  5  1  0
M  END
$$$$
Mol_2510
     RDKit          2D

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
M  CHG  1   3  -1
M  END
$$$$
Mol_2511
     RDKit          2D

 52 53  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2512
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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 18  9  1  0
 34 20  1  0
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M  END
$$$$
Mol_2513
     RDKit          2D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2514
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -5.1962    1.6154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2515
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -1.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
M  END
$$$$
Mol_2516
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -3.2553    2.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2517
     RDKit          2D

 40 44  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2518
     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2519
     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 19  2  1  0
 10  4  1  0
M  END
$$$$
Mol_2520
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
    3.7765    1.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6660   -0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0
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M  END
$$$$
Mol_2521
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    6.1671    0.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8865   -0.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2522
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -5.7711   -0.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0
 14  9  1  0
M  END
$$$$
Mol_2523
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -5.7711    0.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  5  1  0
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M  END
$$$$
Mol_2524
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -5.8920   -0.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9692    2.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1470   -2.5232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  1  0
M  END
$$$$
Mol_2525
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2526
     RDKit          2D

 28 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2527
     RDKit          2D

 28 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2528
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2529
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2530
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2531
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2532
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2533
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2534
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2535
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2536
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 13  6  1  0
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M  END
$$$$
Mol_2537
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2538
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2539
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
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  9 10  1  0
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M  END
$$$$
Mol_2540
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 13  3  1  0
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M  END
$$$$
Mol_2541
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2542
     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2543
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
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   -3.9619    1.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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M  END
$$$$
Mol_2544
     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
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    0.4035    3.6761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2772   -0.0868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
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 10 11  1  0
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 22 28  1  0
 19  5  1  0
 27 22  1  0
 17 10  1  0
 28 19  1  0
M  END
$$$$
Mol_2545
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -2.7711   -2.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9248   -0.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9591    0.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1976   -0.1778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
M  END
$$$$
Mol_2546
     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -2.9330    3.2616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4636    1.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0445   -0.7055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4075    1.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9272    1.4235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3966    0.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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  2  4  1  0
  4  5  2  0
  4  6  1  0
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 11 12  2  0
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 18 19  1  0
 19  7  1  0
 19 13  2  0
M  END
$$$$
Mol_2547
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
   -5.2874   -3.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5225   -1.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2548
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.8112   -0.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4985    0.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3102    1.6142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8802    0.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
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 10 11  1  0
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 18 20  1  0
 20 21  1  0
M  END
$$$$
Mol_2549
     RDKit          2D

 18 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
  2  3  1  0
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 18 15  1  0
 12  6  1  0
 18  6  1  0
M  END
$$$$
Mol_2550
     RDKit          2D

 46 51  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2551
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2552
     RDKit          2D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2553
     RDKit          2D

 45 50  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2554
     RDKit          2D

 27 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2555
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2556
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2557
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2558
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2559
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2560
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2561
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
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 18 20  1  0
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M  END
$$$$
Mol_2562
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.5714    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0714   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  2  0
  7  2  1  0
M  END
$$$$
Mol_2563
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
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  8  9  2  0
  8 10  1  0
M  END
$$$$
Mol_2564
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.8013    2.1454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2565
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 11  6  1  0
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M  END
$$$$
Mol_2566
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    1.9486   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6495   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9486    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  2  0
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  7  2  1  0
M  END
$$$$
Mol_2567
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2568
     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2569
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2570
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2571
     RDKit          2D

 45 50  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2572
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2573
     RDKit          2D

 53 58  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2574
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2575
     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2576
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2577
     RDKit          2D

 67 73  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2578
     RDKit          2D

 62 65  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2579
     RDKit          2D

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M  END
$$$$
Mol_2580
     RDKit          2D

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M  END
$$$$
Mol_2581
     RDKit          2D

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M  END
$$$$
Mol_2582
     RDKit          2D

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M  END
$$$$
Mol_2583
     RDKit          2D

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$$$$
Mol_2584
     RDKit          2D

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$$$$
Mol_2585
     RDKit          2D

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M  END
$$$$
Mol_2586
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2587
     RDKit          2D

 53 58  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_2588
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_2589
     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2590
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2591
     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2592
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2593
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2594
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2595
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2596
     RDKit          2D

 56 61  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_2597
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2598
     RDKit          2D

 42 45  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_2599
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_2600
     RDKit          2D

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M  END
$$$$
Mol_2601
     RDKit          2D

 33 35  0  0  0  0  0  0  0  0999 V2000
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 32 33  1  0
 32  3  1  0
 28  9  1  0
 26 18  1  0
M  END
$$$$
Mol_2602
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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  3  4  1  0
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  6  7  1  0
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 23 12  1  0
 21 15  1  0
M  END
$$$$
Mol_2603
     RDKit          2D

 43 48  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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M  END
$$$$
Mol_2604
     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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 21  8  1  0
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M  END
$$$$
Mol_2605
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2606
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2607
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2608
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2609
     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2610
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2611
     RDKit          2D

 44 47  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2612
     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2613
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
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    1.3631   -1.2595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1211   -1.4764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9  3  1  0
M  END
$$$$
Mol_2614
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.9378   -0.9416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7186   -0.0677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8658    1.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3523   -0.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1331    0.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3856   -1.7981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9665    2.4303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
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  8  6  1  0
 14  6  1  0
M  END
$$$$
Mol_2615
     RDKit          2D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -5.9522   -0.0299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8353   -1.0311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8672   -1.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2497   -2.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0589   -3.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7574    2.8680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
  7 10  2  0
 10 11  1  0
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 10  3  1  0
 21 13  1  0
 29  5  1  0
M  END
$$$$
Mol_2616
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.7533   -1.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8759   -0.5922    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1775    0.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8707    1.6216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3795    1.7836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1721   -1.3164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7035    1.2268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  7  2  1  0
M  CHG  2   2   1  10  -1
M  END
$$$$
Mol_2617
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
    5.2323   -3.6407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0535   -2.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8544    1.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6537    2.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1526    2.3749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1987   -0.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1921   -0.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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M  END
$$$$
Mol_2618
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -4.7705    1.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7018    0.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1255   -2.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5009   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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M  END
$$$$
Mol_2619
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
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    1.9141    2.8925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2751   -0.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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M  END
$$$$
Mol_2620
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2621
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 11  6  1  0
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M  END
$$$$
Mol_2622
     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2623
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.6908   -3.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2038   -1.9748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2624
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2625
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
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    9.0933   -0.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0
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M  END
$$$$
Mol_2626
     RDKit          2D

 41 47  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2627
     RDKit          2D

 46 49  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2628
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2629
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2630
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2631
     RDKit          2D

 54 59  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2632
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
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  7  9  2  0
  9 10  1  0
 10  4  1  0
M  END
$$$$
Mol_2633
     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
   -9.2883   -1.9785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7902   -2.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0053   -1.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6887   -2.8879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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 15 16  1  0
 16 17  2  0
M  END
$$$$
Mol_2634
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -2.5981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2990   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  6  1  1  0
 10  4  1  0
M  END
$$$$
Mol_2635
     RDKit          2D

 29 28  0  0  0  0  0  0  0  0999 V2000
   18.0944    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8005   -0.3258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4964    0.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2025   -0.3434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8984    0.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6045   -0.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3004    0.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0065   -0.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7024    0.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1043    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8104   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -16.9737   -0.5547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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 10 11  1  0
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 27 28  2  0
 27 29  1  0
M  END
$$$$
Mol_2636
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.2742   -1.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8057   -1.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8066   -0.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2759    1.0269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6610    0.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1295    0.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1286    1.2282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5989   -1.3153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0674   -1.6212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3381   -0.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
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 10 11  1  0
  7 12  2  0
 12  3  1  0
M  END
$$$$
Mol_2637
     RDKit          2D

 41 44  0  0  0  0  0  0  0  0999 V2000
    0.5056   -4.8412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6964   -3.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5018   -2.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6925   -1.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4979   -0.0421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1126    0.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9180    2.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1087    2.9325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2763   -5.9914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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M  END
$$$$
Mol_2638
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -4.5919    1.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5873    0.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8136    1.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1910    2.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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M  END
$$$$
Mol_2639
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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    1.9898   -0.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3655    2.0413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  5  9  1  0
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 10 11  2  0
 10  2  1  0
M  END
$$$$
Mol_2640
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
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   -5.5490    0.4560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2641
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2642
     RDKit          2D

101112  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2643
     RDKit          2D

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M  END
$$$$
Mol_2644
     RDKit          2D

 83 92  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2645
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2646
     RDKit          2D

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 44 35  1  0
M  END
$$$$
Mol_2647
     RDKit          2D

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M  END
$$$$
Mol_2648
     RDKit          2D

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M  END
$$$$
Mol_2649
     RDKit          2D

 28 28  0  0  0  0  0  0  0  0999 V2000
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   10.5000   -1.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
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  6  7  1  0
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 26 28  1  0
 17 12  1  0
M  END
$$$$
Mol_2650
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -4.8207   -0.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3022    0.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  4  5  2  0
  5  6  1  0
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  7  9  2  0
  9 10  1  0
M  END
$$$$
Mol_2651
     RDKit          2D

 40 43  0  0  0  0  0  0  0  0999 V2000
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   -7.0303    3.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2652
     RDKit          2D

 33 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2653
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -4.8461    0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5123    0.7160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6777    0.4649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2728    0.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
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  6  7  1  0
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  9 10  2  0
  9 11  1  0
M  END
$$$$
Mol_2654
     RDKit          2D

 84 93  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2655
     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2656
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2657
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2658
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2659
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2660
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
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  9 10  1  0
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M  END
$$$$
Mol_2661
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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    0.8622   -0.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2662
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -4.0827   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7837    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2663
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2664
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.2784   -1.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0
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M  END
$$$$
Mol_2665
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -7.7706    1.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1762    0.1048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2666
     RDKit          2D

 47 51  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2667
     RDKit          2D

 47 51  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_2668
     RDKit          2D

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$$$$
Mol_2669
     RDKit          2D

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M  END
$$$$
Mol_2670
     RDKit          2D

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$$$$
Mol_2671
     RDKit          2D

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M  END
$$$$
Mol_2672
     RDKit          2D

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M  END
$$$$
Mol_2673
     RDKit          2D

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M  END
$$$$
Mol_2674
     RDKit          2D

 40 45  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2675
     RDKit          2D

 40 44  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2676
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2677
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2678
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2679
     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  1  0
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  9 10  1  0
 10 11  2  0
 10 12  1  0
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 18 20  1  0
 17 12  1  0
M  END
$$$$
Mol_2680
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.3914   -1.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2783   -0.8009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  6  9  1  0
  9  3  1  0
M  END
$$$$
Mol_2681
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.8112    0.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1770    0.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7746    0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3102   -1.6142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5675    0.6594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8802   -0.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
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 11 12  1  0
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 18 20  1  0
 20 21  1  0
M  END
$$$$
Mol_2682
     RDKit          2D

 57 56  0  0  0  0  0  0  0  0999 V2000
   25.1848    1.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0280    0.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6226    0.9730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.0605    0.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9037   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3415   -0.8430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6551   -2.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
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 55 56  1  0
 56 57  1  0
M  END
$$$$
Mol_2683
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.8112   -0.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4985    0.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.9009    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6159   -0.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3033    0.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0183   -0.3718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7056    0.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4207   -0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1080    0.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1770   -0.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4896    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0873    0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6849    0.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9699   -0.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2825    0.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3102    1.6142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5675   -0.6594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8802    0.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
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M  END
$$$$
Mol_2684
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -6.0814   -0.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6228   -0.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8499    1.4317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2763   -0.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7350   -0.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2441   -1.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6705   -2.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  9 11  1  0
 11 12  1  0
M  END
$$$$
Mol_2685
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
    8.2741    1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3251    0.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  3  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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 22  4  1  0
 19 13  1  0
M  END
$$$$
Mol_2686
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
    2.8169   -0.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3389   -0.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2687
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.5714    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0714   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3214    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
M  END
$$$$
Mol_2688
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -2.5981    0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2990    0.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
M  END
$$$$
Mol_2689
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -6.2624   -2.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 25 16  1  0
M  END
$$$$
Mol_2690
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.6201   -0.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3192    0.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.7211    0.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4239   -0.3388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5250    0.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3703   -0.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6712    0.3887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9683   -0.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2692    0.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5664   -0.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8673    0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1645   -0.3773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1608   -1.8773    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.4654    0.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4691    1.8694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7625   -0.3838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
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 19 20  2  0
 19 21  1  0
M  END
$$$$
Mol_2691
     RDKit          2D

 36 35  0  0  0  0  0  0  0  0999 V2000
   17.4906    6.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2380    5.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3263    3.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0737    3.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1620    1.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9976   -0.7606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7450   -1.5858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4041   -0.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -17.6550    6.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2692
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -4.6547    0.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1557    0.3236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 16  4  1  0
  9  5  1  0
 16  8  1  0
M  END
$$$$
Mol_2693
     RDKit          2D

 14 16  0  0  0  0  0  0  0  0999 V2000
    0.0116    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2694
     RDKit          2D

 43 51  0  0  0  0  0  0  0  0999 V2000
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 19  5  1  0
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 42 37  1  0
M  END
$$$$
Mol_2695
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -3.1103   -0.3057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6615    0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2970   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5201    1.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9893    1.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  4  7  1  0
  7  8  1  0
  7  9  1  0
M  END
$$$$
Mol_2696
     RDKit          2D

 27 26  0  0  0  0  0  0  0  0999 V2000
  -16.7472   -0.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4395    0.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5395    0.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1374    0.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1550    1.6514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4276   -0.6136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7353    0.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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M  END
$$$$
Mol_2697
     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
    7.6607    1.1095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8405   -0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3473    0.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.6391    0.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  4  5  1  0
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  5  7  1  0
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 10 11  1  0
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 15 16  1  0
 15 17  1  0
M  END
$$$$
Mol_2698
     RDKit          2D

 31 31  0  0  0  0  0  0  0  0999 V2000
   -3.4397    0.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8291   -0.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2186   -1.7775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1993   -1.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0674    2.3055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2812    1.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6514    2.0348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0000    5.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 20  1  0
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M  END
$$$$
Mol_2699
     RDKit          2D

 23 23  0  0  0  0  0  0  0  0999 V2000
    4.8679   -0.2808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0881   -1.5621    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
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    1.5945    2.9966    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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 20 23  1  0
 18  8  1  0
M  END
$$$$
Mol_2700
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
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    1.2196    1.7587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5016   -0.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8062    0.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0996   -0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042    0.2194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6976   -0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
M  END
$$$$
Mol_2701
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.4891   -2.5367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2188   -1.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7497   -1.0259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2231    2.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6782    1.8896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0911    1.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3614   -0.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  3  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11  2  1  0
M  END
$$$$
Mol_2702
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  2  1  0
M  END
$$$$
Mol_2703
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.8112   -0.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4985    0.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2136   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9009    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6159   -0.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3033    0.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0183   -0.3718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7056    0.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4207   -0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1770   -0.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4896    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6849    0.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9699   -0.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2825    0.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3102    1.6142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5675   -0.6594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8802    0.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
M  END
$$$$
Mol_2704
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.0000   -0.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
  9  2  1  0
M  END
$$$$
Mol_2705
     RDKit          2D

 28 29  0  0  0  0  0  0  0  0999 V2000
    0.4480   -3.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6867   -2.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5734   -1.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2215   -0.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0172   -1.3127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3692   -0.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4825    0.8328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8344    1.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9477    2.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7090    3.8242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0731    0.6366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4251    1.2864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9599   -0.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1986   -1.7050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6079   -1.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1082    1.0290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3469    1.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6989    1.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2895    1.4213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8243    3.5668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1641   -0.9204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2773   -2.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0386   -3.2620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6293   -3.0659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
  4 17  1  0
 17 18  1  0
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 22 23  1  0
 19 24  1  0
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 26 28  1  0
 24  3  1  0
 15  6  1  0
M  END
$$$$
Mol_2706
     RDKit          2D

 25 24  0  0  0  0  0  0  0  0999 V2000
  -15.4372   -0.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1282    0.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8394   -0.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5304    0.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2416   -0.3119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9325    0.4205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6437   -0.3469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3347    0.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0459   -0.3820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4480   -0.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1498   -0.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7476   -0.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0567    0.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3455   -0.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6545    0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9433   -0.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2524    0.1752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5412   -0.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8502    0.1402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8704    1.6401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1390   -0.6272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4480    0.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 10 11  1  0
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 22 24  1  0
 24 25  1  0
M  END
$$$$
Mol_2707
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.4740   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9898   -0.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0487    1.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4355    0.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3655    2.0413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  1  0
 10  2  1  0
M  END
$$$$
Mol_2708
     RDKit          2D

 27 32  0  0  0  0  0  0  0  0999 V2000
    0.9949    3.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4249    2.5403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5539    3.5279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2644    1.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4135    0.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2783   -1.4126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9902   -3.4655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.2629   -1.1520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
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 11  2  1  0
 17 12  1  0
 24 20  1  0
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 21 16  1  0
 27  7  1  0
M  END
$$$$
Mol_2709
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.3140    0.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8291    0.7979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1838    2.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12  5  1  0
M  END
$$$$
Mol_2710
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -3.2624   -0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9270    0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6677   -0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9270   -0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2624    0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
M  END
$$$$
Mol_2711
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
  -12.2170   -0.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9049    0.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1620   -0.6473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
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 18 19  2  0
 18 20  1  0
M  END
$$$$
Mol_2712
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
    4.8785   -3.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8681   -2.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2224    3.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3230   -0.8091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 16  6  1  0
M  END
$$$$
Mol_2713
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -3.8971   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8971   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
M  END
$$$$
Mol_2714
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
    0.3102   -3.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0057   -2.8878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6375   -1.4479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2715
     RDKit          2D

 78 83  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_2716
     RDKit          2D

 40 42  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_2717
     RDKit          2D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2718
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2719
     RDKit          2D

 67 71  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_2720
     RDKit          2D

 40 42  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_2721
     RDKit          2D

 65 70  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2722
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_2723
     RDKit          2D

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Mol_2724
     RDKit          2D

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M  END
$$$$
Mol_2725
     RDKit          2D

 66 70  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2726
     RDKit          2D

 40 42  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_2727
     RDKit          2D

 71 76  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2728
     RDKit          2D

 65 70  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2729
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2730
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2731
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  CHG  1  12   1
M  END
$$$$
Mol_2732
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
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 11  2  1  0
 11  5  1  0
 14  9  1  0
M  END
$$$$
Mol_2733
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
    9.7798    1.7206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 21  1  0
 20 22  1  0
M  END
$$$$
Mol_2734
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2735
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
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  4  5  2  0
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  3  8  1  0
  8  9  2  0
  8 10  1  0
M  END
$$$$
Mol_2736
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2737
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0
M  END
$$$$
Mol_2738
     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 19  5  1  0
M  END
$$$$
Mol_2739
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2740
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2741
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2742
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2743
     RDKit          2D

 28 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2744
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2745
     RDKit          2D

 35 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2746
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2747
     RDKit          2D

 43 44  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2748
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2749
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2750
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2751
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2752
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2753
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2754
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2755
     RDKit          2D

 40 45  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2756
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.3151    1.1428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3904    2.4389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0775    0.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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 11 13  2  0
 13  6  1  0
M  END
$$$$
Mol_2757
     RDKit          2D

 41 46  0  0  0  0  0  0  0  0999 V2000
    6.4376   -6.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2758
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  CHG  1   8  -1
M  END
$$$$
Mol_2759
     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2760
     RDKit          2D

 39 42  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2761
     RDKit          2D

 41 45  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2762
     RDKit          2D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2763
     RDKit          2D

 47 51  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2764
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2765
     RDKit          2D

 27 31  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2766
     RDKit          2D

 53 60  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2767
     RDKit          2D

 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2768
     RDKit          2D

 41 44  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2769
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2770
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2771
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_2772
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2773
     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2774
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.4214   -2.2269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7786    2.2269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0
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M  END
$$$$
Mol_2775
     RDKit          2D

 27 31  0  0  0  0  0  0  0  0999 V2000
    4.4054   -2.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2776
     RDKit          2D

 27 31  0  0  0  0  0  0  0  0999 V2000
    4.6718   -1.9936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2777
     RDKit          2D

 39 42  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2778
     RDKit          2D

 39 42  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2779
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2780
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2781
     RDKit          2D

 27 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2782
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2783
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2784
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2785
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2786
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.3809   -3.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2787
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
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  9 10  1  0
 10  4  1  0
M  END
$$$$
Mol_2788
     RDKit          2D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2789
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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 14  5  1  0
M  END
$$$$
Mol_2790
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
    4.9683    0.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2791
     RDKit          2D

 42 47  0  0  0  0  0  0  0  0999 V2000
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Mol_2792
     RDKit          2D

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Mol_2793
     RDKit          2D

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$$$$
Mol_2794
     RDKit          2D

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M  END
$$$$
Mol_2795
     RDKit          2D

 39 43  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_2796
     RDKit          2D

 42 47  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_2797
     RDKit          2D

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$$$$
Mol_2798
     RDKit          2D

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 32 33  1  0
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 35 36  1  0
 29  4  1  0
 27  7  1  0
 27 11  1  0
M  END
$$$$
Mol_2799
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
  2  3  1  0
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  4  5  1  0
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 29  4  1  0
 27  7  1  0
 23  8  1  0
 29 27  1  0
M  END
$$$$
Mol_2800
     RDKit          2D

 44 48  0  0  0  0  0  0  0  0999 V2000
    1.1879    2.1193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5535    1.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1129   -0.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5432    3.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9088    3.9813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9838    1.6161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 27 28  1  0
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 21 12  1  0
M  END
$$$$
Mol_2801
     RDKit          2D

 50 55  0  0  0  0  0  0  0  0999 V2000
    2.4098   -7.5427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2043   -6.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6397   -5.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8704   -4.7638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9100   -5.8452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7757   -3.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0986   -4.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2672   -2.1507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2967   -0.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8613    0.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0037    2.0151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8077    2.9204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3836    1.4074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
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  9 10  1  0
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 49 50  1  0
 38  2  1  0
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 20 14  1  0
 31 24  1  0
 43 34  1  0
 32 19  1  0
M  CHG  1  13   1
M  END
$$$$
Mol_2802
     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 16 17  1  0
 17 18  2  0
 17 19  1  0
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 10 21  1  0
 21  9  1  0
M  END
$$$$
Mol_2803
     RDKit          2D

 30 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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  6  7  1  0
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  9 10  1  0
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 28 30  1  0
 17 12  1  0
M  END
$$$$
Mol_2804
     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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   -2.3537    3.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
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 17 18  1  0
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 18 20  1  0
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 10 22  1  0
 22  9  1  0
M  END
$$$$
Mol_2805
     RDKit          2D

 43 47  0  0  0  0  0  0  0  0999 V2000
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    0.1614    0.9962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4056   -0.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 42  3  1  0
 36  7  1  0
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 29 22  1  0
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M  CHG  1  20   1
M  END
$$$$
Mol_2806
     RDKit          2D

 44 48  0  0  0  0  0  0  0  0999 V2000
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 44 26  1  0
 39 30  1  0
M  END
$$$$
Mol_2807
     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 11 12  2  0
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 13 14  2  0
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 17 18  1  0
  7 19  1  0
 19 20  1  0
 20 21  2  0
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 16  3  1  0
 22  5  1  0
 15  6  1  0
 14  9  1  0
M  END
$$$$
Mol_2808
     RDKit          2D

 20 23  0  0  0  0  0  0  0  0999 V2000
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  3  4  2  0
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 18 19  1  0
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 17  3  1  0
 19  7  1  0
 17  8  1  0
 16 11  1  0
M  END
$$$$
Mol_2809
     RDKit          2D

 32 34  0  0  0  0  0  0  0  0999 V2000
   -4.3270    1.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8667    1.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
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  8 10  1  0
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 32  5  1  0
 30 12  1  0
 25 19  1  0
M  END
$$$$
Mol_2810
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -7.5336    2.8357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1735   -3.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1380    1.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  3  4  1  0
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  9 10  1  0
 10 11  1  0
 11 12  1  0
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 24 12  1  0
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M  END
$$$$
Mol_2811
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -7.5336    2.8357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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 10 11  1  0
 11 12  1  0
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 27  8  1  0
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M  END
$$$$
Mol_2812
     RDKit          2D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -4.3353    2.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5141   -3.1576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0
  3  4  2  0
  4  5  1  0
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 18 19  1  0
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 16  3  1  0
 19  5  1  0
 15  6  1  0
 14  9  1  0
M  END
$$$$
Mol_2813
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
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    3.6237    0.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5036   -0.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  4  5  1  0
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 10 11  2  0
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 13 14  2  0
M  END
$$$$
Mol_2814
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 12  6  1  0
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M  END
$$$$
Mol_2815
     RDKit          2D

 23 22  0  0  0  0  0  0  0  0999 V2000
   13.7227    0.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4274   -0.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 23  1  0
M  END
$$$$
Mol_2816
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
  -10.9048   -0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2817
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.2990    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  2  0
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M  END
$$$$
Mol_2818
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
   11.5880    3.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1024    3.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5395    1.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2819
     RDKit          2D

 27 31  0  0  0  0  0  0  0  0999 V2000
    5.5726    0.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6952   -0.3565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2029   -0.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4654    2.3798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4807    2.6829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2820
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    2.9545   -1.9445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  2  1  0
M  END
$$$$
Mol_2821
     RDKit          2D

 47 52  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2822
     RDKit          2D

 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2823
     RDKit          2D

 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2824
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.7500    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2825
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 20 13  1  0
M  END
$$$$
Mol_2826
     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2827
     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2828
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  CHG  1  13  -1
M  END
$$$$
Mol_2829
     RDKit          2D

 46 51  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2830
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2831
     RDKit          2D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2832
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2833
     RDKit          2D

 36 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2834
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2835
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
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    9.9029    1.6253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2836
     RDKit          2D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2990   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
M  CHG  1   4  -1
M  END
$$$$
Mol_2837
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2838
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2839
     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2840
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2841
     RDKit          2D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2842
     RDKit          2D

 55 57  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2843
     RDKit          2D

 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2844
     RDKit          2D

 65 68  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2845
     RDKit          2D

 45 46  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2846
     RDKit          2D

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M  END
$$$$
Mol_2847
     RDKit          2D

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M  END
$$$$
Mol_2848
     RDKit          2D

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M  END
$$$$
Mol_2849
     RDKit          2D

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M  END
$$$$
Mol_2850
     RDKit          2D

 56 60  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2851
     RDKit          2D

 45 46  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2852
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2853
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2854
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
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    1.7695    1.1108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0
 10  6  1  0
M  END
$$$$
Mol_2855
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
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  9 10  1  0
  9  3  1  0
M  END
$$$$
Mol_2856
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.2975   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5475   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  2  0
  5  6  1  0
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  7  8  1  0
  8  4  1  0
M  END
$$$$
Mol_2857
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    5.4660    0.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2964   -0.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0
 10 12  2  0
M  END
$$$$
Mol_2858
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -1.8187    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5196    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0785   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  2  4  1  0
  4  5  2  0
M  END
$$$$
Mol_2859
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    5.4417   -0.3949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 15  1  0
 11  6  1  0
M  END
$$$$
Mol_2860
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
    2.7538    0.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4606    0.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  7  1  0
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M  END
$$$$
Mol_2861
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.5573    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2583    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9592    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9  2  1  0
 15  5  1  0
M  END
$$$$
Mol_2862
     RDKit          2D

 52 58  0  0  0  0  0  0  0  0999 V2000
    4.8093   -3.9610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2863
     RDKit          2D

 63 70  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2864
     RDKit          2D

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M  END
$$$$
Mol_2865
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2866
     RDKit          2D

 66 73  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_2867
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2868
     RDKit          2D

  3  2  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2869
     RDKit          2D

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M  END
$$$$
Mol_2870
     RDKit          2D

  6  6  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2871
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2872
     RDKit          2D

 86 94  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2873
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2874
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
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    1.7417    1.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2456    1.1191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  3  1  0
M  END
$$$$
Mol_2875
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -3.6633    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5295   -0.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2617   -2.9459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0
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  6  7  1  0
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  8  9  1  0
  8 10  1  0
 10 11  1  0
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 12 13  1  0
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M  ISO  6   1   2   5   2   7   2   9   2  11   2  13   2
M  END
$$$$
Mol_2876
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
    4.6793    1.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4623    0.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0282   -1.2297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3961   -1.8453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1888   -2.1066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  4  5  1  0
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  6  8  1  0
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  8 10  1  0
  4 11  1  0
 11 12  2  0
 11 13  1  0
M  END
$$$$
Mol_2877
     RDKit          2D

 42 47  0  0  0  0  0  0  0  0999 V2000
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    1.1254    4.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5 10  1  0
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 36 10  1  0
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M  END
$$$$
Mol_2878
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -3.4848   -1.7507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9555   -0.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9240   -0.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4698   -1.8664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3706   -0.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375   -1.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6806    1.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7350    2.0778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8023    1.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4911    2.5692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0
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  7  8  1  0
  5  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
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M  END
$$$$
Mol_2879
     RDKit          2D

 38 42  0  0  0  0  0  0  0  0999 V2000
    1.4600   -6.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5538   -5.3398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2880
     RDKit          2D

 48 55  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_2881
     RDKit          2D

 47 54  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_2882
     RDKit          2D

 35 40  0  0  0  0  0  0  0  0999 V2000
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Mol_2883
     RDKit          2D

 47 54  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_2884
     RDKit          2D

 38 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2885
     RDKit          2D

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$$$$
Mol_2886
     RDKit          2D

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Mol_2887
     RDKit          2D

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M  END
$$$$
Mol_2888
     RDKit          2D

 30 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2889
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2890
     RDKit          2D

 36 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2891
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_2892
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2893
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2894
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2895
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2896
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_2897
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_2898
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2899
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2900
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2901
     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
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    3.8937    1.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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M  END
$$$$
Mol_2902
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.3809   -3.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2903
     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
    6.6175   -2.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8937    1.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2904
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2905
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2906
     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 27 18  1  0
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M  END
$$$$
Mol_2907
     RDKit          2D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2908
     RDKit          2D

 15 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2909
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2910
     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
    4.1531   -4.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2911
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2912
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2913
     RDKit          2D

 25 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2914
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.1509   -0.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_2915
     RDKit          2D

 45 48  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2916
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2917
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2918
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2919
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2920
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2921
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2922
     RDKit          2D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2923
     RDKit          2D

 41 45  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2924
     RDKit          2D

 41 45  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2925
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2926
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2927
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2928
     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2929
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2930
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 22  7  1  0
 20 12  1  0
M  END
$$$$
Mol_2931
     RDKit          2D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.2091   -2.5597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5496   -1.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3212   -1.9699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  2 10  1  0
 10 11  2  0
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 16 28  2  0
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  9  3  1  0
 28 10  1  0
 26 17  1  0
M  END
$$$$
Mol_2932
     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
    5.4578    2.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7643    0.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5694   -0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0680   -0.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
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 13 14  1  0
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  4 23  1  0
 23 24  1  0
 23 25  1  0
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 27 28  1  0
 27  2  1  0
 13  6  1  0
 22 16  1  0
M  END
$$$$
Mol_2933
     RDKit          2D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -5.3636    0.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7893   -2.3431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2562    0.3285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8875    1.9297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3925    1.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7512    0.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
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 12  5  1  0
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M  END
$$$$
Mol_2934
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -7.1198   -2.0730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6614   -2.4238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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 21 12  1  0
M  END
$$$$
Mol_2935
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.1695   -2.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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M  END
$$$$
Mol_2936
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2937
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0
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M  END
$$$$
Mol_2938
     RDKit          2D

 39 42  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2939
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 21  6  1  0
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M  END
$$$$
Mol_2940
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2941
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2942
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  CHG  1  17   1
M  END
$$$$
Mol_2943
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2944
     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2945
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2946
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2947
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2948
     RDKit          2D

 50 54  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_2949
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2950
     RDKit          2D

 44 48  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2951
     RDKit          2D

 42 45  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2952
     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2953
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2954
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2955
     RDKit          2D

 45 51  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_2956
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2957
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2958
     RDKit          2D

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M  END
$$$$
Mol_2959
     RDKit          2D

 47 53  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2960
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2961
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2962
     RDKit          2D

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M  END
$$$$
Mol_2963
     RDKit          2D

 24 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2964
     RDKit          2D

 44 50  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2965
     RDKit          2D

 48 54  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_2966
     RDKit          2D

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M  END
$$$$
Mol_2967
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2968
     RDKit          2D

 45 51  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2969
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2970
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2971
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2972
     RDKit          2D

 38 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2973
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2974
     RDKit          2D

 41 46  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2975
     RDKit          2D

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$$$$
Mol_2976
     RDKit          2D

 38 43  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_2977
     RDKit          2D

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$$$$
Mol_2978
     RDKit          2D

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M  END
$$$$
Mol_2979
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2980
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2981
     RDKit          2D

 41 45  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2982
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2983
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_2984
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
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 11  5  1  0
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M  END
$$$$
Mol_2985
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.8413   -1.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  2  0
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M  END
$$$$
Mol_2986
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0
 11 12  2  0
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M  END
$$$$
Mol_2987
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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  9  2  1  0
 15  9  1  0
M  END
$$$$
Mol_2988
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    2.1080   -2.9385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16  2  1  0
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M  END
$$$$
Mol_2989
     RDKit          2D

 34 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2990
     RDKit          2D

 34 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2991
     RDKit          2D

 27 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2992
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2993
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2994
     RDKit          2D

 56 63  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2995
     RDKit          2D

119130  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2996
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2997
     RDKit          2D

 54 61  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_2998
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
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    3.0260   -0.4889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2940    0.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2341    1.8111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6220   -0.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8900    0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6819   -1.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
M  END
$$$$
Mol_2999
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -1.6170    2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0805    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5071    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5071   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0805   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6170   -2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1988    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3012    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0512   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5512   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3012    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8012    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.5512    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0512    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
  7  2  1  0
 14  8  1  0
M  END
$$$$
Mol_3000
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.6021    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6194   -0.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1466   -0.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    1.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4060    1.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8756    1.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7020    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4012   -1.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1493   -1.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3202   -1.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  3  1  0
M  END
$$$$
Mol_3001
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -6.9435   -0.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6127    0.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3480   -0.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0171    0.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7524   -0.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4216    0.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8431   -0.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1740    0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4387   -0.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7695    0.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8357    1.5381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0342   -0.7670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
M  END
$$$$
Mol_3002
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
    6.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  8 15  1  0
 15 16  2  0
  4 17  1  0
 17 18  2  0
 18  1  1  0
 16  5  1  0
 14  9  1  0
M  END
$$$$
Mol_3003
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
    3.4315    2.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1368    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7157    0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4211   -1.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4211   -1.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4802   -2.9272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4802   -0.0851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9510    0.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4311    1.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9019    1.9253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
M  END
$$$$
Mol_3004
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -7.7942   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942   -0.3462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
M  END
$$$$
Mol_3005
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.6893    1.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6199    0.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9961   -1.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1743    0.4869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1048   -0.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3408   -0.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4102   -1.2164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8558   -0.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2320    0.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625    1.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7169    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7864    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0039   -0.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0759   -0.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 11  6  1  0
 12  9  1  0
M  END
$$$$
Mol_3006
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
    6.3175    3.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5884    2.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3591    1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8589    1.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6301   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1303   -0.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4012   -1.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9014   -1.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1723   -2.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3275   -2.9646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0982   -1.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5980   -1.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3688   -0.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8686   -0.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6393    0.8479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1391    0.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9099    2.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4097    2.0866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
M  END
$$$$
Mol_3007
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
    2.7119   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0611    1.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5987    1.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5740    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0006    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8823    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0006   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5740   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5987   -1.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0611   -1.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  1  1  0
  8  4  1  0
M  END
$$$$
Mol_3008
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
    8.9127    0.4401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6300   -0.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3152    0.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0325   -0.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7177    0.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4350   -0.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1202    0.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625   -0.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4772    0.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7600   -0.5590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0747    0.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3575   -0.6143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6722    0.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7042    1.6075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9550   -0.6697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
M  END
$$$$
Mol_3009
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
   -9.5895    0.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2710   -0.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9923    0.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6739   -0.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3951    0.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0767   -0.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7980    0.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4795   -0.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7992    0.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1176   -0.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3964    0.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7148   -0.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9935    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3120   -0.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3517   -1.5872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5907    0.6964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
M  END
$$$$
Mol_3010
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    6.8098    0.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5367   -0.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2132    0.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9401   -0.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6166    0.2421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3435   -0.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9800    0.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2531   -0.6388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5766    0.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6272    1.5662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8497   -0.7263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1732   -0.0204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
M  END
$$$$
Mol_3011
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.4496   -2.4451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4272   -1.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9306    0.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3902    0.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7392    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2651    1.8735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4545    0.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9422    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8518    1.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5203   -1.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0080   -1.2095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5749   -0.5337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
  7 12  1  0
 12  3  1  0
M  END
$$$$
Mol_3012
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -8.4468    0.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1411   -0.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8488    0.3228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5431   -0.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2508    0.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9451   -0.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6528    0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6528   -0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9451    0.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2508   -0.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5431    0.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488   -0.3228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1411    0.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4468   -0.2996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
M  END
$$$$
Mol_3013
     RDKit          2D

  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Zn  0  0  0  0  0 15  0  0  0  0  0  0
M  END
$$$$
Mol_3014
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -7.7942   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942   -0.3462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  0
M  END
$$$$
Mol_3015
     RDKit          2D

  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Cu  0  0  0  0  0 15  0  0  0  0  0  0
M  END
$$$$
Mol_3016
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
    0.8660   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4330    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4330   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6651    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1651   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8660    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8660   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
  3  1  1  0
  7  5  1  0
M  END
$$$$
Mol_3017
     RDKit          2D

 14 16  0  0  0  0  0  0  0  0999 V2000
    3.8754    1.8677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8068    0.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1843   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1157   -1.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6698   -1.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3988   -2.3432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8447   -1.9442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2221   -0.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5535    0.1985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3078    1.6782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8246    1.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1536    0.5603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2924    0.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3609    1.2140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14  2  1  0
 13  5  1  0
 12  8  1  0
M  END
$$$$
Mol_3018
     RDKit          2D

  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Cr  0  0  0  0  0 15  0  0  0  0  0  0
M  END
$$$$
Mol_3019
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.8978   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5095   -1.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4489   -2.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4489   -2.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5095   -1.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8978    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5095    1.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4489    2.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4489    2.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5095    1.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  1  1  0
M  END
$$$$
Mol_3020
     RDKit          2D

 34 40  0  0  0  0  0  0  0  0999 V2000
   -6.4068    0.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9315   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3551   -1.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8163    1.4956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3583    1.8482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2780    2.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4784    2.5936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4318    4.5288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0592    1.9122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4398    1.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5724    0.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5447   -0.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0416   -1.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5663   -2.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0632   -3.6689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5940   -1.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0694   -0.8426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0971    0.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1248    1.4419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3505    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8536   -0.2422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8258    0.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3289   -0.5131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3012    0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9486    2.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2262    2.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3684    1.9008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7967    0.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8320   -1.9262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8597   -3.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3628   -4.4815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3844   -2.7975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0910   -2.5266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8813   -1.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 23 29  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 12  2  1  0
 34 16  1  0
 11  5  1  0
 34 21  1  0
 18 11  1  0
 28 24  2  0
 34 32  1  0
M  END
$$$$
Mol_3021
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -7.1488    0.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8407   -0.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5509    0.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2428   -0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9530    0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6449   -0.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6449    0.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9530   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2428    0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5509   -0.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8407    0.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1488   -0.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
M  END
$$$$
Mol_3022
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
    7.5855    0.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3070   -0.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9883    0.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7099   -0.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3912    0.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1127   -0.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.6787   -0.6986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
M  END
$$$$
Mol_3023
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.0754    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5754    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0014   -1.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3844   -1.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7702   -1.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3443    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7702    1.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3844    1.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0014    1.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  2  1  0
M  END
$$$$
Mol_3024
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    7.1488   -0.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8407    0.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5509   -0.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2428    0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9530   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6449    0.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.8407   -0.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1488    0.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
M  END
$$$$
Mol_3025
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -5.6814   -0.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2407    0.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1586   -0.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7179   -0.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3594    1.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0812    1.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1633    0.5454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6040    0.9632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6861   -0.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1268    0.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3276   -1.5321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8048   -0.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6358   -1.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
  7 12  1  0
 12 13  2  0
 13  4  1  0
M  END
$$$$
Mol_3026
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -3.6215   -0.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1404   -0.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4618    1.3137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0202    1.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0790    2.1441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2574   -0.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7552   -0.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5744   -1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4339    1.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1815   -1.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0779   -1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  6 10  1  0
 10 11  1  0
 11  2  1  0
 11  6  1  0
M  END
$$$$
Mol_3027
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -5.3515   -2.7279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4789   -1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9287   -1.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1098    0.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2467    1.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7527    1.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3836    2.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8896    2.4471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3956    2.3130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7647    0.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0984    2.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7293    0.8181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3602   -0.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4909   -1.5015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8542   -0.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9911   -1.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8421   -0.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3361   -1.0790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2113    0.4159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6610    0.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7173    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0864    1.9108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5924    2.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
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 18 19  1  0
 13 20  1  0
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 19  2  1  0
 29 20  1  0
 18  6  1  0
 16 10  1  0
 31 12  1  0
M  END
$$$$
Mol_3028
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -3.6907   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1907   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1175   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4166   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7156   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7156    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4166    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1175    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3090    1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  2  1  0
  9  4  1  0
M  END
$$$$
Mol_3029
     RDKit          2D

 33 32  0  0  0  0  0  0  0  0999 V2000
  -16.4743   -0.9337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1965   -0.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.6831   -0.7179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3713    0.6432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.9684    0.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2877    0.0014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 31 32  1  0
 32 33  2  0
M  END
$$$$
Mol_3030
     RDKit          2D

  6  6  0  0  0  0  0  0  0  0999 V2000
    2.3133   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8133   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0684   -1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  2  1  0
M  END
$$$$
Mol_3031
     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -6.7251    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2253    0.0494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0419    1.4941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  3  0
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  3  5  1  0
  5  6  1  0
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 22  7  1  0
 19  8  1  0
 17 11  1  0
M  END
$$$$
Mol_3032
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0
  5  6  1  0
  6  7  1  0
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  3 28  1  0
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 26  8  1  0
 26 11  1  0
 23 12  1  0
 21 15  1  0
M  END
$$$$
Mol_3033
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
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 10 11  2  0
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 29 30  2  0
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 31  2  1  0
 11  5  1  0
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 30 24  1  0
M  END
$$$$
Mol_3034
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3035
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3036
     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3037
     RDKit          2D

 23 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3038
     RDKit          2D

 38 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3039
     RDKit          2D

 48 53  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3040
     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3041
     RDKit          2D

 48 53  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3042
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_3043
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3044
     RDKit          2D

 49 54  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_3045
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3046
     RDKit          2D

 50 57  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3047
     RDKit          2D

 39 44  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3048
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3049
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3050
     RDKit          2D

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M  END
$$$$
Mol_3051
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 14  3  1  0
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 13  7  1  0
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M  END
$$$$
Mol_3052
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3053
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -7.0989    0.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3054
     RDKit          2D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3055
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 14  8  1  0
M  END
$$$$
Mol_3056
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 13  7  1  0
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M  END
$$$$
Mol_3057
     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 26 11  1  0
 21 15  1  0
M  END
$$$$
Mol_3058
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
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   -6.3168    0.2397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 16  5  1  0
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M  END
$$$$
Mol_3059
     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 17  8  2  0
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M  END
$$$$
Mol_3060
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3061
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3062
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3063
     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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 12  5  1  0
M  END
$$$$
Mol_3064
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
    1.6198    2.3424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2034    0.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10  2  1  0
 10  6  2  0
M  END
$$$$
Mol_3065
     RDKit          2D

 33 34  0  0  0  0  0  0  0  0999 V2000
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   -5.8550    0.8247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3066
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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M  END
$$$$
Mol_3067
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
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 13  6  1  0
M  END
$$$$
Mol_3068
     RDKit          2D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3069
     RDKit          2D

 41 42  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3070
     RDKit          2D

 46 51  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3071
     RDKit          2D

 24 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3072
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_3073
     RDKit          2D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3074
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3075
     RDKit          2D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3076
     RDKit          2D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3077
     RDKit          2D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3078
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3079
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3080
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3081
     RDKit          2D

 46 51  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3082
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3083
     RDKit          2D

 37 41  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_3084
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3085
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3086
     RDKit          2D

 29 33  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_3087
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3088
     RDKit          2D

 44 48  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3089
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3090
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3091
     RDKit          2D

 36 40  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_3092
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3093
     RDKit          2D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3094
     RDKit          2D

 23 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3095
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3096
     RDKit          2D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3097
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3098
     RDKit          2D

 38 42  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3099
     RDKit          2D

 46 50  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3100
     RDKit          2D

 53 56  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3101
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0
  5  6  1  0
  6  7  2  0
  4  8  1  0
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  8 10  1  0
 10 11  1  0
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 13 14  1  0
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 16 17  1  0
  6  2  1  0
 17 12  1  0
 17  3  1  0
M  END
$$$$
Mol_3102
     RDKit          2D

 38 44  0  0  0  0  0  0  0  0999 V2000
   -8.1905    2.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6950    2.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2084    1.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3604    2.9104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0776   -1.2645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  7  9  1  0
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 14  5  1  0
 38 20  1  0
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 38 27  1  0
 22  9  1  0
 34 30  2  0
 38 36  1  0
M  END
$$$$
Mol_3103
     RDKit          2D

 37 43  0  0  0  0  0  0  0  0999 V2000
   -8.1429    2.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6456    1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8190    3.2272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9748    0.6338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4775    0.5438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6510    1.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1537    1.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3271    2.9573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4829    0.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6388   -2.2295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1361   -2.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9626   -3.3913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6334   -2.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1824   -1.1578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
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 14  5  1  0
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 37 26  1  0
 22  9  1  0
 33 29  2  0
 37 35  1  0
M  END
$$$$
Mol_3104
     RDKit          2D

 47 51  0  0  0  0  0  0  0  0999 V2000
    1.7591   -2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5924   -1.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8254   -0.4338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2251    0.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3880    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4393   -1.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1945   -2.2164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2971   -3.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0524   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6444   -4.3723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7335   -2.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1333   -1.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2544   -3.5142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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 22  4  1  0
 46 35  1  0
 22 15  1  0
 42 38  2  0
M  END
$$$$
Mol_3105
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
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   10.6462   -0.6101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  4  5  1  0
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 14 15  1  0
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 17 18  1  0
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 19 20  1  0
 20 21  1  0
M  END
$$$$
Mol_3106
     RDKit          2D

 54 57  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0
  4  6  1  0
  6  7  1  0
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 18 19  1  0
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 28 29  1  0
 29 30  1  0
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 33 34  1  0
 34 35  2  0
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 50 51  1  0
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 53 54  1  0
 53  2  1  0
 22  4  1  0
 53 42  1  0
 49 45  2  0
M  END
$$$$
Mol_3107
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.3114    0.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8373    0.3005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8600   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3859   -0.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8664    1.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3405    1.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5273    1.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7305    2.6202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5890    2.4089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5774   -3.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0054   -2.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
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 14 16  1  0
  7  2  1  0
 14  4  1  0
M  END
$$$$
Mol_3108
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
    1.5514   -1.9591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1510   -1.4217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0146   -2.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4151   -1.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6499   -0.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4843    0.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8209    1.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4059    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0429    2.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8600    1.2256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0258    0.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917   -0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9697    1.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0820   -0.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0838    0.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15  2  1  0
 15  6  1  0
 15 10  1  0
M  END
$$$$
Mol_3109
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -0.6571   -2.2415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2998   -1.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2220    0.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7009    0.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6915   -0.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1967    1.9838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1680    3.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6436    2.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6149    4.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1478    1.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1047    0.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4515    2.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1764    0.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.1275   -0.2381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6603   -2.7938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3012   -4.4014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3005   -2.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8217   -2.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7786   -1.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
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  8  9  2  0
  8 10  1  0
 10 11  1  0
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 13 14  1  0
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 17 18  1  0
  3 19  1  0
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 33 34  1  0
 34  2  1  0
 13  4  1  0
 34 21  1  0
 28 24  2  0
 34 32  1  0
M  END
$$$$
Mol_3110
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
    3.3979    1.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3012    0.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6391   -0.9294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5424   -1.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8666    0.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2301   -0.0532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1078   -1.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6647    0.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0026    1.8463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7614   -0.6385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1960   -0.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
M  END
$$$$
Mol_3111
     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
   -3.6889    0.7559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2926    1.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0689    2.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6725    3.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5002    2.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2765    0.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4492   -0.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2255   -1.5022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8455    0.5290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0182   -0.4063    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    4.9535    0.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0829   -1.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7399   -1.6627    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
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   -3.2878   -0.2663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1362   -2.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
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  7  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  1  0
  6 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 16 19  1  0
 14  2  1  0
M  END
$$$$
Mol_3112
     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -3.1139    2.4604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8047    1.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9970   -0.1351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4985   -0.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6907   -1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8077   -1.2639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4985    0.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9970    0.1351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8047   -1.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1139   -2.4604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3032   -1.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1109   -2.3253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6094   -2.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3001   -0.9262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4924    0.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1831    1.6692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3754    2.9332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6816    1.7368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9939    0.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6907    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8077    1.2639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3032    1.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1109    2.3253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6094    2.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3001    0.9262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4924   -0.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1831   -1.6692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3754   -2.9332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6816   -1.7368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9939   -0.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 15 19  2  0
  7 20  1  0
 20 21  2  0
  2 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 26 30  2  0
 21  4  1  0
 30 22  1  0
 19 11  1  0
M  CHG  4  16   1  18  -1  27   1  29  -1
M  END
$$$$
Mol_3113
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
    3.0000    3.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    1.8460    0.0000 Si  0  0  0  0  0  3  0  0  0  0  0  0
    0.7500    1.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.5470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -0.7521    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    0.9510   -0.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5490   -1.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.0511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.0511    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -0.0000   -0.5511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -3.5511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.0511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -0.7521    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -3.5490   -1.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9510   -0.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.5470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    1.8460    0.0000 Si  0  0  0  0  0  3  0  0  0  0  0  0
   -3.0000    3.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
M  RAD  2   2   2  17   2
M  END
$$$$
Mol_3114
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    0.2445   -1.7719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0878   -1.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3508   -1.8918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831   -1.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7524    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4894    1.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5587    2.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1571    0.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1059    1.2249    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4382    0.5357    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    2.1274    1.8680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7490   -0.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7705   -0.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0813   -1.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4597    1.1788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1028   -0.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
  8  2  1  0
M  END
$$$$
Mol_3115
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -7.1376    1.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2337   -0.0079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7451    0.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1603    1.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6717    1.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7678    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2792    0.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6247   -0.4681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1134   -0.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0172   -1.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4325   -2.8622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5059   -1.2967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4098   -2.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0906    0.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5793    0.2689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1868    1.2817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6981    1.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7943    2.2946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3790    3.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3056    2.1103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3526   -0.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8412   -1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4260   -2.4021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -3.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
  6 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 22  3  1  0
 20  7  2  0
 17  9  1  0
M  END
$$$$
Mol_3116
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -4.0828   -2.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6507   -1.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3209   -0.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4233    0.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0936    2.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6615    2.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5591    1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8888   -0.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2136   -1.0219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6457   -0.5758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7481   -1.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1803   -1.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5100    0.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4076    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9754    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
  8  3  1  0
 15 10  1  0
M  END
$$$$
Mol_3117
     RDKit          2D

 34 34  0  0  0  0  0  0  0  0999 V2000
   -0.7500    1.0698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    2.3688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    1.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500   -1.5283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500   -1.5283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5000   -2.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0000   -2.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7500   -4.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2500   -4.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0000   -5.4254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    4.9669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    6.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    6.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    4.9669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.0698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.3688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    1.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    1.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -1.5283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500   -1.5283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000   -2.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000   -2.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7500   -4.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2500   -4.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000   -5.4254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
  2 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 20 15  1  0
M  END
$$$$
Mol_3118
     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -6.2768   -1.5492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1580   -0.0539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3935    0.7967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8036    0.5908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5681   -0.2597    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2137    0.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0948    1.8802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9782   -0.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3762    0.1791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6117   -0.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4929   -2.1668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9661   -0.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0850    1.4685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4394    2.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6749    1.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5560   -0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2016   -0.8774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0828   -2.3726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 12  1  0
M  END
$$$$
Mol_3119
     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
   -8.6110    0.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2500   -0.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0234    0.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6624    0.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4358    0.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0747    0.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8482    1.1429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5129    0.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6473   -0.9816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7394    1.3758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6050    2.8697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8315    3.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1926    3.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3271    1.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1005    0.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2350   -0.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5960   -1.3793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0084   -1.6122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1428   -3.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9163   -3.9696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0507   -5.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 15 10  1  0
M  END
$$$$
Mol_3120
     RDKit          2D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -8.0582    1.5336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0616    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5342   -1.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5377   -2.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0103   -3.5557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0685   -1.8296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5959   -0.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1267   -0.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6541    1.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1849    1.6226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1884    0.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6610   -0.9220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2808    0.8041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2774   -0.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7466   -0.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2192    1.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6883    1.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6849    0.5906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1541    0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1507   -0.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6781   -1.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2089   -1.9541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2123   -0.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7432   -1.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6507    2.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1199    2.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5925    0.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
  9 25  2  0
 25 26  1  0
 26 27  2  0
 27  2  1  0
 27  7  1  0
 24 15  1  0
 23 18  1  0
M  END
$$$$
Mol_3121
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
   12.8527    0.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5959   -0.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2584    0.5709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0015   -0.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6640    0.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4072   -0.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0697    0.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8129   -0.5274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4754    0.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2186   -0.6672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1189    0.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3757   -0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7132   -0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9700   -0.9466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3075   -0.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5644   -1.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9019   -0.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5809   -1.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2228    0.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0416    2.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2393    0.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3200    1.7695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 17 21  1  0
 21 22  1  0
M  END
$$$$
Mol_3122
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -4.0834    0.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9155   -0.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1467   -2.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5164   -0.0888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2852    1.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1139    1.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3451    3.4162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2818    0.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6809    1.5337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0506   -0.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2185   -1.4305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9873   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6176   -0.8896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3485   -1.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 10 14  2  0
 14  4  1  0
M  END
$$$$
Mol_3123
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
   13.3914    0.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1170   -0.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7947    0.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5202   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1979    0.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9235   -0.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6012    0.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3267   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    0.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7300   -0.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4077    0.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8668   -0.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1891    0.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4635   -0.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7858    0.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0603   -0.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3826   -0.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6570   -0.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9793   -0.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2538   -0.9392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0272    1.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3495    2.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
M  END
$$$$
Mol_3124
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
    5.4201    0.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2501   -0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8522    0.5198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6822   -0.4189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9101   -1.9015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2843    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8857   -0.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0557   -1.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0530   -1.9836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8244    0.3564    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7630    1.5264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9944   -0.5823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3923   -0.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6544    1.2950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8823    2.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 10 14  1  0
 14 15  1  0
M  END
$$$$
Mol_3125
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -8.9613    1.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9728   -0.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5015    0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5131   -0.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0417   -0.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5589    0.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0876    1.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0991    0.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3722    0.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8551    1.7463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3607   -0.8021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8320   -0.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8205   -1.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2918   -1.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7747    0.0737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2460    0.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7173    0.6575    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7862    1.2019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3149    0.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5819   -1.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0533   -1.6779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  3  0
 15 18  1  0
 18 19  2  0
  8 20  1  0
 20 21  1  0
 21  5  1  0
 19 12  1  0
M  END
$$$$
Mol_3126
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
   10.1316    1.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6400    1.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0315    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5399   -0.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0483   -0.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5567   -0.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0651   -0.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5735   -0.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3096    0.5477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0350   -2.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5266   -2.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4097   -0.9819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9013   -1.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7844    0.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2760   -0.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1591    1.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6507    0.9675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5338    2.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  3  0
  5  6  1  0
  6  7  3  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
M  END
$$$$
Mol_3127
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
  -10.1402   -0.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8242    0.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5428   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5774   -1.7755    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -6.2268    0.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1922    1.9435    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.9454   -0.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6294    0.3839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3480   -0.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0320    0.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2493   -0.4559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5654    0.2639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8467   -0.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1627    0.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4441   -0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7601    0.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0415   -0.6359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3575    0.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6389   -0.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3921    1.5835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
M  END
$$$$
Mol_3128
     RDKit          2D

 23 23  0  0  0  0  0  0  0  0999 V2000
   -6.5736   -4.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1587   -3.6119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8825   -2.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4676   -1.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1914   -0.1652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7765    0.3328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6377   -0.6436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5003    1.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6390    2.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3628    4.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9479    4.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1908    3.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0854    2.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0534    1.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7772   -0.1456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4683    1.8268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6070    0.8504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0220    1.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3309   -0.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4696   -1.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1934   -3.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3321   -4.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7785   -3.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 13  8  1  0
M  END
$$$$
Mol_3129
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -4.0686   -0.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6524   -0.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3724    1.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9562    1.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1800    0.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5962    1.4416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7324    0.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8763    2.9153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -0.5263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0362   -1.5056    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    0.0569   -2.6418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0155   -0.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1724   -2.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5162   -1.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  1  0
  9 14  2  0
 14  2  1  0
M  END
$$$$
Mol_3130
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -0.8313    1.3851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0594    0.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7872   -1.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2870   -1.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0589    0.0480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5587    0.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3311    1.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4404    0.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1682    1.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8961    2.7476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2123   -1.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7121   -1.1363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4845   -2.4733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  2  8  2  0
  8  9  1  0
  9 10  3  0
  8 11  1  0
 11 12  1  0
 11 13  2  0
M  END
$$$$
Mol_3131
     RDKit          2D

 24 24  0  0  0  0  0  0  0  0999 V2000
    6.5257    0.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5987   -0.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1139   -0.3718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1870   -1.5511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7022   -1.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7752   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3330   -3.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8178   -4.1228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7096   -2.3041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2674   -0.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3404    0.2676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7522   -0.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6791   -1.8779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1639   -1.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7217   -0.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7948    0.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3100    0.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3830    1.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9409    3.2656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8983    1.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0287    2.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5135    2.6262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4405    3.8055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9252    3.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 17 12  1  0
M  END
$$$$
Mol_3132
     RDKit          2D

 28 28  0  0  0  0  0  0  0  0999 V2000
  -12.0000   -3.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5000   -3.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500   -2.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500   -2.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -1.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -1.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    0.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    0.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    1.3918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.0928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    2.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    3.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    5.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    5.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    3.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.0928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.3918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    0.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    0.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -1.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -1.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -2.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500   -2.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000   -3.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000   -3.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 17 12  1  0
M  END
$$$$
Mol_3133
     RDKit          2D

 25 24  0  0  0  0  0  0  0  0999 V2000
   -8.4863    0.8746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3057   -0.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9141    0.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7335   -0.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3418    0.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1612   -0.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7696   -0.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4110   -1.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8026   -0.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0137    0.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4053    1.4572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5859    0.5319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9775    1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1581    0.1664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3749   -0.9532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9832   -1.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    5.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    3.7563    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -0.5490    2.4572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    3.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    4.5063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    3.7563    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    2.0490    5.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5490    2.4572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    3.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 22 25  1  0
 16  9  1  0
M  END
$$$$
Mol_3134
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -4.7363   -1.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6395   -0.7898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2050   -1.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1082   -0.2048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4459    1.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8805    1.6949    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3491    2.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0854    1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1822    2.8649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4232    0.3802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8577   -0.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1955   -1.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6300   -1.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3264   -0.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6641   -2.1045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 10 14  1  0
 14 15  2  0
 14  4  1  0
M  END
$$$$
Mol_3135
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
    7.2236    2.4556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6211    1.0819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1303    0.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5278   -0.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369   -0.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4345   -1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9436   -2.1609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552   -0.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4357   -1.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3242    0.0911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8150   -0.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4175   -1.4478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7035    1.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1944    0.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0828    2.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
M  END
$$$$
Mol_3136
     RDKit          2D

 33 32  0  0  0  0  0  0  0  0999 V2000
  -17.9806   -0.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.6375   -0.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3876    0.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0444   -0.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7945    0.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4514   -0.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2015    0.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8583   -0.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6084    0.5734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2653   -0.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0154    0.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6722    0.0672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4223    0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0792    0.2288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1707    1.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5139    0.3904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7638    1.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1069    0.5519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2002   -0.9452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3568    1.3813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7000    0.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9499    1.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2930    0.8751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5429    1.7044    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   11.3722    0.4545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7136    2.9543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7928    2.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7933   -0.7836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1364   -1.4514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2297   -2.9485    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    9.7268   -2.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   -3.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3230   -4.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
 21 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 30 33  1  0
M  END
$$$$
Mol_3137
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -2.2500    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
M  END
$$$$
Mol_3138
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    4.2430   -1.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3740    0.1572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8806    0.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2564   -1.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2271   -1.5938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6515   -2.0639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9072   -1.2433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0485    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4553    0.7706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9691    1.2916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4818    1.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2935   -0.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0454    0.0779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0116    1.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6358    2.6024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 14  3  1  0
 12  5  1  0
M  END
$$$$
Mol_3139
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -7.5874    1.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5076    0.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0661    0.4862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9863   -0.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5447   -0.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4649   -1.1816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0233   -0.7670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3385    0.6887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7801    1.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8599    0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3014    0.4766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7160   -0.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8869    1.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7430    0.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4981   -1.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0565   -1.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
 10 15  1  0
 15 16  2  0
 16  7  1  0
M  END
$$$$
Mol_3140
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -5.5282   -2.3449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6180   -1.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1184   -1.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6212    0.2270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1841    0.6566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0934   -0.3732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3437    0.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8409    1.4716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3405    1.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7701   -0.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1853   -0.4983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3235    0.4787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4623   -1.9725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5360   -0.8538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8135    1.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7780    2.6368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0476    0.2845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 10 14  1  0
  4 15  1  0
 15 16  2  0
 15 17  1  0
 17  2  1  0
 14  7  1  0
M  CHG  2  11   1  13  -1
M  END
$$$$
Mol_3141
     RDKit          2D

 30 30  0  0  0  0  0  0  0  0999 V2000
  -12.0000   -3.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5000   -3.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500   -4.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500   -2.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500   -2.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    1.7321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    4.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    4.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.7321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -2.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500   -2.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000   -3.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000   -3.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500   -4.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 18 13  1  0
M  END
$$$$
Mol_3142
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
  -11.6612   -0.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2919   -0.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0769    0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7076   -0.6084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4926    0.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1233   -0.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083    0.5384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5390   -0.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3240    0.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0453    0.1932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2603    1.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6296    0.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8446    1.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2139    0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    1.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7982    0.9948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9525   -0.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3218   -1.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7375   -1.3769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8917   -2.8689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
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 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
M  END
$$$$
Mol_3143
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
    3.9857   -1.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5698   -0.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4330   -1.5824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0171   -1.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1197   -2.0659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5356   -1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8148   -0.0970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2307    0.3981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6780    0.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9572    2.3555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2621    0.3865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8747    1.3652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2906    0.8701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4273    1.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13  2  1  0
 11  4  2  0
M  END
$$$$
Mol_3144
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
    3.7081   -0.2633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2810   -0.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8896   -2.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9707    0.7423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4791    0.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4012    2.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2104    3.4849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8931    1.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5048    0.5905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6244   -0.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2361   -1.9937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7280   -2.1488    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1325   -0.4689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9811   -1.4738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  1  0
 13 14  1  0
 14  2  1  0
 13  5  1  0
M  END
$$$$
Mol_3145
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.6818    1.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5467    1.9867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1300    1.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9949    2.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4219    1.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7035    0.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4316   -0.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8483    0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9835   -0.9599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4002   -0.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1203    0.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9036   -0.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4201   -1.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7626   -0.8046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -1.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7304   -1.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5990   -3.5697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5241   -1.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7021   -1.3669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1968   -1.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5387    0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2554    0.9963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9738    2.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5570    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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 11 12  1  0
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 21 22  1  0
 22 23  1  0
 23 24  1  0
  8  3  1  0
 19 11  1  0
 24  5  1  0
 22 11  1  0
M  END
$$$$
Mol_3146
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -4.7739    3.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3791    1.5693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9285    1.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4220    1.8715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0272    0.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0830   -0.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5337   -0.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5895   -1.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0401   -0.9433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0960   -2.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5466   -1.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7012   -3.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4234    0.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1105   -1.2906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5909   -1.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7609   -1.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1588   -1.4440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3288   -2.3827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3868    0.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2168    0.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8189    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4793    1.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0845    2.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6338    2.9370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
  9 10  1  0
 10 11  2  0
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 23 24  1  0
 24 25  1  0
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 23 14  1  0
 25  5  1  0
 22 16  1  0
M  END
$$$$
Mol_3147
     RDKit          2D

 21 24  0  0  0  0  0  0  0  0999 V2000
    4.7339   -0.9463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2922   -1.3604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2127   -0.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7710   -0.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3085    0.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0538    1.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4955    2.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750    1.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167    1.5508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0257    2.8057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4674    2.3916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8296    0.9360    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1537    0.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8926   -1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4071   -1.4539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2612   -2.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4632   -2.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1128   -1.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0818   -1.1381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5605   -0.6295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7502   -0.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  6 10  1  0
 10 11  1  0
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  8  3  1  0
 21 12  1  0
 21  5  1  0
 21 15  1  0
M  END
$$$$
Mol_3148
     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
    2.9968   -1.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0126   -0.6279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1469   -1.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6718   -0.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9164   -0.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4046   -1.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1926   -1.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4073   -1.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0362   -3.4645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9044   -1.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3431   -0.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1145    0.8340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0277    2.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2257    1.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6064    2.2763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0430    0.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2411   -0.7014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6218   -0.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6623   -0.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5357    0.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
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 23 15  1  0
 12  5  1  0
 23  5  1  0
M  END
$$$$
Mol_3149
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
    6.9821   -1.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4488   -0.0545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9680    0.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0205   -0.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5396   -0.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0063    0.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9539    1.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4347    1.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3822    2.7494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5255    0.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4220   -0.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.3452    0.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5921   -1.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  6 10  1  0
 10 11  1  0
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  8  3  1  0
 23 11  1  0
 24  5  1  0
 20 12  1  0
M  END
$$$$
Mol_3150
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
    4.0191   -5.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7640   -3.8666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7540   -1.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4989    0.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1660   -3.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.0809    0.4444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1940    3.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9771    2.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
  9 13  1  0
 13 14  1  0
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 22 24  1  0
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 27 28  1  0
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 11  6  1  0
 29 15  1  0
 16  8  1  0
 29 18  1  0
M  END
$$$$
Mol_3151
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -5.5461    3.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5722    2.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3650   -2.9543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7674   -2.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8303   -3.0450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1423   -2.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0780   -0.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042    1.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    2.0909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8185    2.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5066    1.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8827   -0.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9089    1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292   -0.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7150   -0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6888    1.4997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
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 10 11  1  0
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 13 14  1  0
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 13 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 24  6  1  0
 23 10  1  0
 20 14  1  0
M  END
$$$$
Mol_3152
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -6.6777   -1.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7919    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9168    1.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0731    0.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4915    1.9271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1114   -0.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5681   -0.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6064   -1.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0631   -0.9626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9381    0.8358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4431    1.5604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9865    1.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6931   -2.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2364   -2.3943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8019   -1.3118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2969   -0.5872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7535   -0.9451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 23  6  1  0
 21  8  2  0
 18 12  1  0
M  END
$$$$
Mol_3153
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -6.9821    1.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4488    0.0545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9680   -0.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0205    0.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5396    0.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0063   -0.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5255   -0.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4220    0.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9028    0.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4361   -1.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9169   -1.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4502   -3.0215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8644   -0.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3311    0.9454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8503    1.1845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3170    2.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8362    2.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1113    1.6628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9539   -1.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4347   -1.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3822   -2.7494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 23  3  1  0
 20  8  1  0
 17  9  1  0
M  END
$$$$
Mol_3154
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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  3  4  2  0
  4  5  1  0
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 10 11  2  0
 11 12  1  0
 11 13  1  0
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 18 24  2  0
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 30 15  1  0
 30  6  1  0
 27 16  1  0
M  END
$$$$
Mol_3155
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
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    0.0958    2.7568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9539   -0.7108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
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  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
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 18 19  2  0
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 27 30  1  0
 26 31  1  0
 23  6  1  0
 31  7  1  0
 22  9  1  0
 19 13  1  0
M  END
$$$$
Mol_3156
     RDKit          2D

 27 31  0  0  0  0  0  0  0  0999 V2000
   -7.1669   -1.4099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3410   -0.1578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7175    0.4382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9931    1.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5556    1.7296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8138   -0.7603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7241   -1.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2865   -1.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1968   -2.3937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2407   -1.9654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0262   -0.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8336   -1.4624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9727   -0.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3965    0.8985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2513   -1.1886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
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 17 19  1  0
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 12 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
  7 27  1  0
 27  2  1  0
 25  6  1  0
 24  9  1  0
 18 13  1  0
 21 16  1  0
M  END
$$$$
Mol_3157
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
    6.0671    3.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5688    3.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7590    4.6838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8802    2.0886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3818    2.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6932    0.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5030   -0.5767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8145   -1.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3161   -1.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3725   -3.3119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4937   -0.7166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9921   -0.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.2970    0.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7953    0.1961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9888   -0.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1133    1.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6149    1.8786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1949    0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1226   -3.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8112   -1.7693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9140   -0.7526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0040   -2.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0014   -0.5067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
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  9 10  1  0
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 11 12  1  0
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 14 15  1  0
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 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
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 14 22  2  0
 22 23  1  0
 23 24  1  0
  8 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
 24  6  1  0
 30  7  1  0
 24 11  2  0
 21 15  1  0
M  END
$$$$
Mol_3158
     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
    4.2455   -2.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7900   -1.2816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3245   -0.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3146   -2.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1509   -1.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6064   -0.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4036    0.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8690    0.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8790    1.5768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3444    1.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0718   -0.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9184    0.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5145    1.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6854    1.2768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4427    2.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9106    1.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2834    0.9985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4486   -0.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0818   -1.1102    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6263   -2.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1608   -2.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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 11 12  1  0
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 20 21  1  0
 21 22  1  0
 22 23  1  0
  8  3  1  0
 18 11  1  0
 23  5  1  0
 21 11  1  0
M  END
$$$$
Mol_3159
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.3803   -1.8635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0616   -0.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9588    0.6693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4212    0.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4416    1.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9039    1.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3458   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8082   -0.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3254   -1.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9454    2.4368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9658    1.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4486    0.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9110    0.9060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0067   -0.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0272   -1.9609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5444   -1.1955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1025   -2.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5239   -0.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
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  3 11  2  0
 11 12  1  0
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 17 18  1  0
 17 19  1  0
 19 20  1  0
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 21  2  1  0
 10  4  1  0
 21 13  1  0
M  END
$$$$
Mol_3160
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.5752    5.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9731    4.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4246    3.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9196    3.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3174    1.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2639    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6618   -0.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6082   -1.8514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1568   -1.4729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8968   -2.5406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3482   -2.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3796   -3.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1132   -1.1623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 12 20  1  0
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 20 22  1  0
 22 23  2  0
 23 24  1  0
  8 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
 23  6  1  0
 30  7  1  0
 22  9  1  0
 19 13  1  0
M  END
$$$$
Mol_3161
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -3.8072   -0.8169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3266   -1.0571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8459   -1.2972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 15  2  0
  5 16  1  0
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 15  7  1  0
 15 10  1  0
M  CHG  2   2   1  18  -1
M  END
$$$$
Mol_3162
     RDKit          2D

 22 26  0  0  0  0  0  0  0  0999 V2000
   -2.8716   -2.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0072    0.8913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4937    0.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8760    1.4730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
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  6  7  2  0
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 21 22  1  0
 19  3  1  0
 18  6  1  0
 18  9  1  0
 17 12  1  0
 22 14  1  0
M  END
$$$$
Mol_3163
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -6.6301   -1.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
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 23 24  1  0
  7 25  1  0
 25  2  1  0
 23  6  1  0
 22  9  1  0
 19 13  1  0
M  END
$$$$
Mol_3164
     RDKit          2D

 22 26  0  0  0  0  0  0  0  0999 V2000
   -2.8716   -2.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833   -0.9848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9821   -1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3020    0.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0072    0.8913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8760    1.4730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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 19  3  1  0
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 18  9  1  0
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 22 14  1  0
M  END
$$$$
Mol_3165
     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
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 29  6  1  0
 21  9  1  0
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M  END
$$$$
Mol_3166
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
    4.0947   -5.2975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  6  1  0
 30 16  2  0
 30  8  1  0
 28 17  1  0
M  END
$$$$
Mol_3167
     RDKit          2D

 23 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3168
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -7.4391    1.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3169
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 19  7  1  0
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M  END
$$$$
Mol_3170
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
    6.2552    3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3171
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3172
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3173
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 25  5  1  0
M  END
$$$$
Mol_3174
     RDKit          2D

 24 28  0  0  0  0  0  0  0  0999 V2000
    6.6768   -0.1166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3666   -0.8470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0
  2  4  1  0
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  7 24  1  0
 24  2  1  0
 11  6  1  0
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 23 10  1  0
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M  END
$$$$
Mol_3175
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -2.5981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2990    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
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  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  1  1  0
  9  4  1  0
M  END
$$$$
Mol_3176
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -7.2661    0.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3437   -0.6669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4989   -3.0327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1619    1.5528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7605    2.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2461    2.5283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 24  5  1  0
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M  END
$$$$
Mol_3177
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -5.5472    2.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6895    1.2257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8472    2.8577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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M  END
$$$$
Mol_3178
     RDKit          2D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -3.1000    2.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2102    0.9797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2967    1.9572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    2.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2619    1.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7547    1.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0763   -0.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7823   -0.8907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6609    0.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4507    0.5802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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M  END
$$$$
Mol_3179
     RDKit          2D

 25 24  0  0  0  0  0  0  0  0999 V2000
  -15.4372   -0.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1282    0.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.6437   -0.3469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8502    0.1402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8704    1.6401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1390   -0.6272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4480    0.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
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M  END
$$$$
Mol_3180
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -0.7443   -1.3051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1941   -2.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  2  3  1  0
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 15 16  1  0
 10  5  1  0
M  END
$$$$
Mol_3181
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -7.4437    1.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8961    0.4131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0674   -2.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8653   -1.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  6 22  1  0
 22 23  2  0
 23  3  1  0
 21  7  1  0
 20 11  1  0
M  END
$$$$
Mol_3182
     RDKit          2D

 27 28  0  0  0  0  0  0  0  0999 V2000
    7.8291   -2.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1142   -1.3730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4307    0.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4621    0.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1769   -1.3641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6707    1.0918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.8931   -0.3718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1338    2.0661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2665    1.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6845    1.5723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  3  4  2  0
  4  5  1  0
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 26  3  1  0
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M  END
$$$$
Mol_3183
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -4.0444    0.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5865    0.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5520   -0.6727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0941   -0.3198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3293    1.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7872    1.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8217    0.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3984   -1.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405   -1.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
M  END
$$$$
Mol_3184
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -3.4258   -1.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1394   -0.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1643    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6641    0.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1893    2.0367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1070   -0.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6067   -0.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9181   -1.4279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8931    0.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3567    1.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3658    0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
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  9 10  1  0
 10 11  1  0
 10 12  1  0
 10  8  1  0
M  END
$$$$
Mol_3185
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -2.2577   -1.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1916   -0.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6788   -0.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6281    2.2294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2866    0.4733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7566    0.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0108   -1.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1508   -0.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 12  2  1  0
 12  7  1  0
 13  7  1  0
M  END
$$$$
Mol_3186
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -3.9229    3.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3443    1.9905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2361   -1.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0280    3.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22  9  1  0
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M  END
$$$$
Mol_3187
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -7.7742    1.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3161    0.5615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3919   -1.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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M  END
$$$$
Mol_3188
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -4.6878    3.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5156    2.2108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
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 10 11  2  0
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 19 20  2  0
 20 21  1  0
  5 22  2  0
 22 23  1  0
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 24  3  1  0
 21  6  1  0
 20 10  1  0
M  END
$$$$
Mol_3189
     RDKit          2D

 11  9  0  0  0  0  0  0  0  0999 V2000
   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
M  END
$$$$
Mol_3190
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.7977    0.6707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3110    0.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6624    1.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1491    1.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0650    0.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4942   -1.1075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0075   -1.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
M  END
$$$$
Mol_3191
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -3.0031    0.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7791   -0.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4162   -0.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -0.7412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0663   -2.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9944    0.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3679    1.6386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1219    1.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
M  END
$$$$
Mol_3192
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -1.7163   -3.6509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9722   -2.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.2677    1.8923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0440    1.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2999   -0.3260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8201   -1.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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 32  2  1  0
 12  5  1  0
 32 14  1  0
 27 18  1  0
M  END
$$$$
Mol_3193
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.2285   -2.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2590   -2.7160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9678    0.4713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9042    2.0497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0
 21 13  1  0
M  END
$$$$
Mol_3194
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
   -7.5879   -1.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8223    1.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  2  0
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 18 13  1  0
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M  END
$$$$
Mol_3195
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.0570    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
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 16  2  1  0
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 16 11  1  0
M  END
$$$$
Mol_3196
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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   -0.0000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  8 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
  7  2  1  0
 14  5  1  0
M  END
$$$$
Mol_3197
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.9552    0.2362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8693   -0.7986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4302   -0.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0769    1.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6377    1.5050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4481    0.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8872    0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4122    0.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4981   -0.7537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0948   -0.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3443   -1.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  6 11  1  0
 11 12  2  0
 12  3  1  0
M  END
$$$$
Mol_3198
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -3.5995    0.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2715   -0.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2116   -1.5896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0035    0.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3245    0.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5925    0.8143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9205    0.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2485   -0.5807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  3  0
M  END
$$$$
Mol_3199
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -5.7153    0.6652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5286   -0.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1407    0.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9396    1.8033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9539   -0.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1551   -2.0870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5661   -0.0315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207   -0.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0085   -0.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2097    1.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5975    1.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7843    0.7582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5832   -0.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1953   -1.2973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
M  END
$$$$
Mol_3200
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.1651    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4330   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3170   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1830    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
M  END
$$$$
Mol_3201
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -6.3788   -0.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0317    0.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9295    1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7868   -0.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4397   -0.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3375    1.3624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1948   -0.9709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1524   -0.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3973   -1.1479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7444   -0.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8466    1.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1937    1.6681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4386    0.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3364   -0.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9893   -1.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
M  END
$$$$
Mol_3202
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -5.2230    0.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7809    0.9446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7024   -0.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0660   -1.5532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2603    0.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1818   -0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2603   -0.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6239    1.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0660    1.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1445    0.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7809   -0.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3388   -1.3574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
M  END
$$$$
Mol_3203
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4029    2.1235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7314    0.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6282   -0.3564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8036    0.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9068   -0.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3386   -0.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4418   -1.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8736   -1.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2021    0.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0988    1.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6671    0.9855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1632    0.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2664    1.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6982    0.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0267   -0.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9235   -1.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4917   -1.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  2 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 11  6  1  0
 17 12  1  0
M  END
$$$$
Mol_3204
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.6451    0.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1626    0.8281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2239   -0.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7678   -1.7398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7413   -0.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1974    1.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2852    1.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2239    0.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7065    0.5698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6451   -0.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6800   -1.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1974   -1.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  2  0
 12  5  1  0
M  END
$$$$
Mol_3205
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -6.7465   -0.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3723    0.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1645   -0.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7902    0.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6238    1.5866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5824   -0.7936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2082   -0.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9996   -1.0819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3738   -0.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5403    1.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9145    1.6113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1223    0.7218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9559   -0.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5816   -1.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
M  END
$$$$
Mol_3206
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -5.6881    1.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5570    0.1265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8448   -1.3456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1382    0.6134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0072   -0.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5884    0.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5426   -0.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9614   -0.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2491    1.0888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6679    1.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7990    0.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5112   -0.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0925   -1.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
M  END
$$$$
Mol_3207
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.1321    0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0649   -0.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4442   -1.6191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6184    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2391    1.6805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5513   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8952   -0.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2745    1.0235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7210    1.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7882    0.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4088   -1.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9624   -1.4819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
M  END
$$$$
Mol_3208
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.2089    1.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1764    0.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6025   -1.3505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7178    0.4378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6853   -0.6503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7732   -0.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1993    1.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6579    1.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6904    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2643   -1.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8057   -1.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
M  END
$$$$
Mol_3209
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    5.8289    0.5802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5570   -0.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2324    0.4889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9605   -0.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0132   -1.8054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6359    0.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6359   -0.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9605    0.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0132    1.8054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2324   -0.4889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5570    0.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8289   -0.5802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
M  END
$$$$
Mol_3210
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.4214   -2.2269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2071   -0.7423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8143   -0.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3643   -1.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7571   -0.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9357   -1.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9714    0.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7929    1.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7786    2.2269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9  3  1  0
M  END
$$$$
Mol_3211
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -4.5553   -0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2359    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   -0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6388    0.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6388   -0.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9583    0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2359   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5553    0.2480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
M  END
$$$$
Mol_3212
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  2  1  0
M  END
$$$$
Mol_3213
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -4.2551   -0.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8948    0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6672   -0.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069    0.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207   -0.6465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2810   -0.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5085   -0.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    1.4796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
M  END
$$$$
Mol_3214
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -6.4560    0.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0591    0.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8875   -0.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1128   -1.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4905    0.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2651    1.8109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3189   -0.6087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0781   -0.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2497   -0.9991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6467   -0.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8721    1.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2691    1.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4407    0.6398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2153   -0.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8183   -1.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
M  END
$$$$
Mol_3215
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.4365    0.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4165   -0.6580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9540   -0.3245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5116    1.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0492    1.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9709    0.3425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    0.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4534   -0.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9158   -0.0902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5285   -1.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9340   -1.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  6 10  1  0
 10 11  2  0
 11  3  1  0
M  END
$$$$
Mol_3216
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.4653    0.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5353   -0.5163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0511   -0.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4968    1.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9874    1.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174    0.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4016    0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3631   -1.2595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1211   -1.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9  3  1  0
M  END
$$$$
Mol_3217
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.6450    0.6199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5176   -0.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0970    0.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9696   -0.8774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4510   -0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7442    1.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1647    1.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2921    0.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9989   -0.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5783   -1.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
M  END
$$$$
Mol_3218
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.1321    0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0649   -0.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4442   -1.6191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6184    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2391    1.6805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5513   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8952   -0.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2745    1.0235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7210    1.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7882    0.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4088   -1.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9624   -1.4819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
M  END
$$$$
Mol_3219
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -5.9021    1.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7552    0.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3445    0.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1976   -0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4615   -1.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7869    0.1406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3599   -0.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7706   -0.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0345    1.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4452    1.6701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5920    0.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3282   -0.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9175   -1.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
M  END
$$$$
Mol_3220
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -5.1779   -0.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7992    0.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6216    1.6277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.7603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2194   -0.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0183   -1.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3604   -0.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5380    1.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    1.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1178    0.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9402   -0.7845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5615   -1.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
M  END
$$$$
Mol_3221
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    4.5436    0.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2504   -0.3501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9456    0.3899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6524   -0.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6639   -1.8700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6524    0.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6639    1.8700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9456   -0.3899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2504    0.3501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5436   -0.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
M  END
$$$$
Mol_3222
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -3.7881    0.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4517   -0.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
M  END
$$$$
Mol_3223
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -5.1962   -0.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  6  1  0
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  7  9  1  0
  9 10  1  0
 10 11  1  0
M  END
$$$$
Mol_3224
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -4.6206   -0.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3119    0.6262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1730   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4816    0.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
M  END
$$$$
Mol_3225
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -4.9191   -1.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5702   -0.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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  6  9  2  0
  9 10  1  0
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 12 13  1  0
 11 14  2  0
 14  4  1  0
M  END
$$$$
Mol_3226
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -0.7825   -0.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0130   -0.0152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8926   -1.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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  4  5  1  0
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  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  6  2  1  0
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M  END
$$$$
Mol_3227
     RDKit          2D

 45 54  0  0  0  0  0  0  0  0999 V2000
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    0.9263   -3.2528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3228
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
    0.5797   -1.7367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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  2  5  1  0
  5  6  2  0
  5  7  1  0
M  END
$$$$
Mol_3229
     RDKit          2D

 34 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3230
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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  9  4  1  0
 16 11  1  0
M  END
$$$$
Mol_3231
     RDKit          2D

 35 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3232
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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 16 11  1  0
M  END
$$$$
Mol_3233
     RDKit          2D

 14 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3234
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3235
     RDKit          2D

 34 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3236
     RDKit          2D

 44 49  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3237
     RDKit          2D

 34 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3238
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0
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  5  7  1  0
  7  2  1  0
M  END
$$$$
Mol_3239
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3240
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3241
     RDKit          2D

 50 55  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3242
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3243
     RDKit          2D

 85 94  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3244
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.7794   -1.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5659   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7794    1.6317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  4  8  1  0
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  9 10  2  0
  9  2  1  0
M  END
$$$$
Mol_3245
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -2.0785    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7794    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8187    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
M  END
$$$$
Mol_3246
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    0.4166   -2.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3975   -1.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0255    1.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5988   -0.9104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4688    1.6844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  8 10  1  0
  7  2  1  0
M  END
$$$$
Mol_3247
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -3.1703    1.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0193    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2062    1.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
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  7  8  1  0
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M  END
$$$$
Mol_3248
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.4802   -1.9525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3264   -0.9940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  2  3  1  0
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 21 13  1  0
 21  8  1  0
M  END
$$$$
Mol_3249
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.4294   -3.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0130   -2.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1721    2.0575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0528   -1.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 10  5  2  0
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M  END
$$$$
Mol_3250
     RDKit          2D

147162  0  0  0  0  0  0  0  0999 V2000
   -8.2550  -12.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3162  -11.0087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.3425   -9.3825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9211   -8.4408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4997   -7.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3251
     RDKit          2D

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M  END
$$$$
Mol_3252
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3253
     RDKit          2D

 56 61  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
  2  3  1  0
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  5  4  1  6
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 11 12  2  0
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 32 24  1  0
 40 33  1  0
M  END
$$$$
Mol_3254
     RDKit          2D

 46 50  0  0  0  0  0  0  0  0999 V2000
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M  CHG  1   7   1
M  END
$$$$
Mol_3255
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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M  END
$$$$
Mol_3256
     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3257
     RDKit          2D

134148  0  0  0  0  0  0  0  0999 V2000
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 35  5  1  0
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109102  1  0
M  END
$$$$
Mol_3258
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
  7 15  1  0
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 28 29  1  0
 28 30  1  0
 30 31  1  0
 30  2  1  0
 24  6  1  0
 14  8  1  0
 23 16  1  0
M  CHG  1  22  -1
M  END
$$$$
Mol_3259
     RDKit          2D

 87 97  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_3260
     RDKit          2D

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$$$$
Mol_3261
     RDKit          2D

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M  END
$$$$
Mol_3262
     RDKit          2D

 33 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3263
     RDKit          2D

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M  END
$$$$
Mol_3264
     RDKit          2D

 46 51  0  0  0  0  0  0  0  0999 V2000
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Mol_3265
     RDKit          2D

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Mol_3266
     RDKit          2D

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Mol_3267
     RDKit          2D

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M  END
$$$$
Mol_3268
     RDKit          2D

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$$$$
Mol_3269
     RDKit          2D

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 37 30  1  0
M  END
$$$$
Mol_3270
     RDKit          2D

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 11  5  1  0
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M  END
$$$$
Mol_3271
     RDKit          2D

 75 83  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3272
     RDKit          2D

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$$$$
Mol_3273
     RDKit          2D

 31 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3274
     RDKit          2D

 46 52  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3275
     RDKit          2D

 35 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3276
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3277
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3278
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.1517    3.3495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3279
     RDKit          2D

 80 90  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3280
     RDKit          2D

 31 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3281
     RDKit          2D

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$$$$
Mol_3282
     RDKit          2D

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$$$$
Mol_3283
     RDKit          2D

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M  END
$$$$
Mol_3284
     RDKit          2D

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M  END
$$$$
Mol_3285
     RDKit          2D

 73 82  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3286
     RDKit          2D

 34 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3287
     RDKit          2D

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M  END
$$$$
Mol_3288
     RDKit          2D

 41 45  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_3289
     RDKit          2D

 36 41  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_3290
     RDKit          2D

 72 81  0  0  0  0  0  0  0  0999 V2000
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 50 41  1  0
 37 30  1  0
M  END
$$$$
Mol_3291
     RDKit          2D

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M  END
$$$$
Mol_3292
     RDKit          2D

 65 72  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3293
     RDKit          2D

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M  END
$$$$
Mol_3294
     RDKit          2D

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M  END
$$$$
Mol_3295
     RDKit          2D

 35 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3296
     RDKit          2D

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 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 30 31  1  0
  7  2  1  0
 29  9  1  0
 30  5  1  0
 27 11  1  0
 23 12  1  0
 21 15  1  0
M  END
$$$$
Mol_3297
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.3066    3.4190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7178    2.0394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6182    0.8397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
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 16 17  1  0
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 20  2  1  0
 12  5  1  0
 20 14  1  0
M  END
$$$$
Mol_3298
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -7.1747   -2.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7191   -2.4866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0508    1.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5951    0.7524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5538    1.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9682    3.2737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9432    2.5498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1808   -0.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2221   -1.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  2  0
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 17 18  1  0
 16 19  1  0
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 20 21  1  0
 19 22  2  0
 12 23  1  0
 23 24  1  0
 24 25  2  0
 25  3  1  0
 24  7  1  0
 22 13  1  0
M  END
$$$$
Mol_3299
     RDKit          2D

 67 73  0  0  0  0  0  0  0  0999 V2000
  -11.6612   -2.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5748   -0.2807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3397    6.2794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.7424    6.3388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.8111    2.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2402    2.4961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.5769    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  1
  5  7  1  0
  7  8  1  0
  8  9  1  0
 10  9  1  6
 10 11  1  0
 11 12  1  1
 12 13  1  0
 13 14  2  0
 14 15  1  0
 16 15  1  6
 16 17  1  0
 17 18  1  1
 18 19  1  0
 19 20  1  1
 20 21  1  0
 19 22  1  0
 22 23  1  6
 23 24  1  0
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 22 28  1  0
 28 29  1  1
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 30 31  1  6
 32 31  1  1
 32 33  1  0
 33 34  1  0
 34 35  1  6
 34 36  1  0
 36 37  1  1
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 38 39  1  6
 38 40  1  0
 40 41  1  6
 16 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  6
 44 46  1  0
 46 47  1  6
 47 48  1  0
 48 49  1  0
 49 50  1  6
 49 51  1  0
 51 52  1  0
 52 53  1  1
  2 54  1  0
 54 55  1  0
 56 55  1  1
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 61 63  1  0
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 52  5  1  0
 65 56  1  0
 51  8  1  6
 49 10  1  0
 46 11  1  0
 44 14  1  0
 30 17  1  0
 40 32  1  0
M  CHG  2  27  -1  67   1
M  END
$$$$
Mol_3300
     RDKit          2D

 61 69  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3301
     RDKit          2D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3302
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3303
     RDKit          2D

 35 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3304
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
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    3.4991   -1.0355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1352    1.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1787    2.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0980    3.7086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9611    1.5407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  8  9  1  0
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  9 11  2  0
  7 12  1  0
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 18 19  1  0
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 30 31  1  0
 25  6  1  0
 31 29  1  0
 29  6  1  0
 24 17  1  0
 23 19  1  0
M  END
$$$$
Mol_3305
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.5714    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0714   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1786   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9286    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1786    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
M  END
$$$$
Mol_3306
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
    6.6624   -1.6434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1787   -1.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6279   -3.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2458   -0.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1752   -1.7400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5115    0.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1370    1.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6399    1.6608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3335    2.9908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7070    2.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2233    2.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6725    1.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1217   -0.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6054    0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0546   -1.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875   -2.5249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4291   -1.5709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8456   -0.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9127   -1.7915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3964   -2.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8801   -2.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8130   -1.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2967   -1.2787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2622    0.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2218    1.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7319    0.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7785    0.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2277    1.9530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7441    2.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8112    0.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2604    2.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0891    0.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  6
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 10 11  1  0
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 31 32  1  6
 14 33  1  0
 33  4  1  0
 33  8  1  0
 31 12  1  0
 31 18  1  0
 28 19  1  0
M  END
$$$$
Mol_3307
     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
    5.1710    1.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2369    0.7801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7534    1.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8194   -0.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3688   -1.5673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8523   -1.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3359    0.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3564    1.3812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8359    1.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9055    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5296    3.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0579   -0.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3886   -1.0418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6535   -0.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7157   -1.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4685   -2.4986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6261   -3.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
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 12 13  1  0
 13 14  1  0
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 15 16  1  0
 16 17  1  0
 15  7  1  0
M  END
$$$$
Mol_3308
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -2.8764    1.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3291    2.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7314    3.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3793    1.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9769   -0.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5243   -0.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1220   -2.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1722   -3.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6694   -2.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1182   -3.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3789   -3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7530   -2.2807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828   -1.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3487   -2.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6785   -1.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7424   -0.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0722    0.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1361    1.9940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4659    2.6880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8701    2.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5403    2.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4765    0.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2105    1.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1467   -0.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8807    0.7166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4490    0.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8560   -0.8081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8319    1.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2343    3.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
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  4 29  1  0
 29 30  1  0
 27  9  1  0
 27 12  1  0
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M  END
$$$$
Mol_3309
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.2000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500   -1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  9  2  2  0
M  END
$$$$
Mol_3310
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.8677    0.7778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3891    1.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4313   -0.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9521   -1.5310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0474    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5682    1.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0468    1.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0046    0.6324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4838   -0.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0051   -1.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4843   -2.4332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10  5  1  0
M  END
$$$$
Mol_3311
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -5.3228   -3.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0764   -2.3130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7305   -2.9752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1759   -0.8163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4453   -0.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0774    1.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5807    1.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2804    2.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 11  1  0
 29 17  1  0
 26 18  1  0
M  END
$$$$
Mol_3312
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.2135   -2.1540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2656   -0.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2152   -1.2311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1631   -0.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6438   -0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1766   -1.7105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6303    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5782    2.4961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8505    1.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7984    0.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2791    0.6504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 10  2  1  0
M  END
$$$$
Mol_3313
     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.5000   -2.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.2735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.2735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    1.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000    0.2735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    0.2735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -2.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    1.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    1.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    0.2735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    0.2735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  2  0
  4 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18  2  1  0
 15  8  1  0
M  END
$$$$
Mol_3314
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -7.5876    0.9853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7003   -0.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2093   -0.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6055    1.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1145    1.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2272    0.2669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7362    0.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1324    1.8037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1511   -0.7789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6422   -0.6152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5294   -1.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0205   -1.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6242   -0.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1153   -0.1242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0025   -1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7370    0.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3407    2.2947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4535    3.5041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2459    0.7579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4527   -2.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9437   -2.3157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8310   -1.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3220   -1.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  2  0
  9 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23  3  1  0
 22  6  1  0
 19 10  1  0
M  END
$$$$
Mol_3315
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -2.5981    0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.1071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -1.3929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.8571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
M  END
$$$$
Mol_3316
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -2.5492    1.8349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8881    0.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3230   -0.0634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7921   -0.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1310   -2.1116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0183    1.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4166    1.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5126    0.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9475    1.0981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1737   -0.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2697   -1.8243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7388   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  2  0
 13  6  1  0
M  END
$$$$
Mol_3317
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.5528   -3.0878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5647   -1.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8697   -0.8482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1627   -1.6085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4677   -0.8689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4796    0.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1866    1.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1985    2.8913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8816    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7283   -0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7164    0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0094    1.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9975    2.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3144    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6074    1.4534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3263   -0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6312   -1.5465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -1.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  2 10  1  0
 10 11  2  0
 11 12  1  0
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 12 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
  9  3  1  0
 18 10  1  0
M  END
$$$$
Mol_3318
     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.6074   -2.1746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3893   -0.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8889   -0.9316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6065   -2.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1060   -2.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8879   -1.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1703    0.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6708    0.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6717    0.4227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4536    1.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9531    1.6657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7360    3.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2364    3.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4812    4.3743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5455    1.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1721    0.4598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6098   -0.8203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1093   -0.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8269    0.5341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3265    0.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0441    1.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2622    3.1685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1084   -0.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6079   -0.6718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3908   -2.0261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1727   -3.3062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8912   -2.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1736   -3.3804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  2  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
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 18 19  1  0
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 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
  8  3  1  0
 16  9  1  0
 27 18  1  0
M  END
$$$$
Mol_3319
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.1253   -3.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1275   -1.5752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4277   -0.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7256   -1.5791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0258   -0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3237   -1.5830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0280    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7301    1.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7324    2.9209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4299    0.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1320    1.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1343    2.9248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1681    0.6767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1704   -0.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4705   -1.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7684   -0.8194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0686   -1.5674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7662    0.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0641    1.4326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4660    1.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 10 11  1  0
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 13 14  2  0
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 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
 10  3  1  0
 20 13  1  0
M  END
$$$$
Mol_3320
     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -5.1805   -2.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6954   -1.8363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1353   -0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0603    0.7360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5002    2.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3951    1.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552    2.7596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3201    0.1873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8052    0.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7303   -0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2154   -0.5721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1404   -1.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7755    0.8194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6501   -0.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7251   -1.4149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2852   -2.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
  7 16  2  0
 16 17  1  0
 17 18  1  0
 16  3  1  0
M  END
$$$$
Mol_3321
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
    3.8190    0.8234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7913   -0.2693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2237   -1.7056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3312    0.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8988    1.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5613    1.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5890    0.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1566   -0.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3035   -1.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3890   -1.5296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5831   -0.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0886    0.7944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
  9  4  1  0
 12  7  1  0
M  END
$$$$
Mol_3322
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -6.3981    1.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3468    0.8983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8946    1.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4937    2.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5450    3.7892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0415    3.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9901    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4621    2.4005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5135    1.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9657    1.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0170    0.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6161   -0.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1639   -1.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7630   -2.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1126   -0.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3397   -0.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7405   -1.9358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3910    0.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8432    0.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2441   -1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6963   -1.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0972   -3.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5495   -3.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0459   -4.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -1.8791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1197   -1.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5206   -0.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917    1.1631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8745   -0.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4693    1.0118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
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 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 12 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
 19  3  1  0
 18  7  1  0
 15  9  1  0
 30 11  1  0
M  END
$$$$
Mol_3323
     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -7.1828   -2.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7046   -2.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7449   -3.5482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1861   -0.9878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7079   -0.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1894    0.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1491    1.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6273    1.5725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6306    3.2348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1523    3.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1926    2.3367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2856    2.5914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2453    1.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7235    1.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6832    0.5405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1647   -0.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6865   -1.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1680   -2.5293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7268    0.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7514   -0.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2699   -1.6312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7111    0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1244   -2.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6026   -1.7651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1211   -0.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0898    0.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4172   -1.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1614    0.7953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 16 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
 22  6  1  0
 22 11  2  0
 19 13  1  0
 28 15  1  0
M  END
$$$$
Mol_3324
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.8976   -2.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1439   -1.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5485   -0.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7949    0.7359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6366    1.6891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1994    1.2624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9857   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4189   -0.8435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5771    0.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8425   -0.6420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5081    1.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9715    0.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1785    2.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6618    2.2808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9082    0.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2500    0.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8544   -0.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -1.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2353   -2.7395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2851   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  2  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
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 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 15  9  1  0
 20 11  1  0
M  END
$$$$
Mol_3325
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -6.4615    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4558    1.2579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9891    1.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5282    2.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0616    3.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0558    2.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4108    2.5162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4166    1.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8832    1.7179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8890    0.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281   -0.8224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9614   -1.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5005   -2.5644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9557   -0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5110   -0.3387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9719   -1.7661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5167    0.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9834    0.4596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4443   -0.9678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9109   -1.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3718   -2.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8384   -3.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3660   -3.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2827    0.9905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6871   -0.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3556    0.9196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
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 14 15  1  0
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 17 18  2  0
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 11 24  1  0
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 18  3  1  0
 17  6  1  0
 14  8  1  0
 29 10  1  0
M  END
$$$$
Mol_3326
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -6.1606    2.2756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1459    1.1710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6818    1.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2325    2.9286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2473    4.0332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7685    3.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7537    2.1503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103    2.4768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250    1.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1891    1.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2038    0.5939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7545   -0.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2905   -1.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8412   -2.5948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1883   -0.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1164   -1.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6679    0.9204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
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 20 21  1  0
 21 22  1  0
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 22 24  1  0
 22 25  1  0
 12 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 28 31  1  0
 19  3  1  0
 18  7  1  0
 15  9  1  0
 31 11  1  0
M  END
$$$$
Mol_3327
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -6.2798    1.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0148    0.2961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6842    0.9886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6187    2.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8837    3.2932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0231    2.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3075    3.0661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5725    2.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2115   -4.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7064   -1.5432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9580   -3.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3020   -1.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3676   -0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
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 22 24  1  0
 14 25  1  0
 25 26  1  0
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 26 28  1  0
 26 29  1  0
 29 30  1  0
 19  3  1  0
 18  7  1  0
 15  9  1  0
 30 13  1  0
M  END
$$$$
Mol_3328
     RDKit          2D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -5.8658    4.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5004    2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5776    1.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0578    2.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6924    0.7259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2498    0.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8844   -1.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9617   -2.1837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4418   -1.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0765   -3.0057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1537   -4.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8655   -6.5482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6543   -5.9153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6354   -0.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0780   -0.9180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1552    0.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5978   -0.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9632   -1.7400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3097    2.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8671    2.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5017    4.0793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7898    1.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3472    1.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9819    3.4464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2700    0.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1726    1.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5380    2.8136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
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  9 15  2  0
 15 16  1  0
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 17 18  2  0
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 25 26  2  0
 25 27  1  0
 27 28  2  0
 28 29  1  0
 28  6  1  0
 27 15  1  0
 24 17  1  0
M  END
$$$$
Mol_3329
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -5.0794    1.9233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7757    0.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3517   -0.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0481   -1.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6241   -1.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5038   -0.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9202   -1.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2239   -2.9005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0405   -0.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4645   -0.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5848    0.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2811    1.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8571    2.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7368    1.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3128    1.5063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8075    0.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2314    0.9803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
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 13 14  2  0
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 15 16  1  0
 16 17  2  0
 17  3  1  0
 16  6  1  0
 14  9  1  0
M  END
$$$$
Mol_3330
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.4763    1.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5317    0.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8575   -0.5768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1280    0.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4538   -0.4810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2612   -0.6726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0646    0.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3351   -0.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6609   -0.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9314   -0.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7163    1.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  2  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
M  END
$$$$
Mol_3331
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
    8.0466    0.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8065   -0.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4556    0.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2155   -0.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8646    0.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6245   -0.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2737    0.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9665   -0.7699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3173   -0.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5575   -0.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9083   -0.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1484   -1.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0191    1.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3699    1.8383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
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 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
M  END
$$$$
Mol_3332
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -3.7110   -0.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3117   -0.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0798    1.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6805    1.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4870    0.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552   -0.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1442   -1.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4227   -1.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8220   -1.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0539    0.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8864    1.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  7  2  1  0
 11  5  1  0
M  END
$$$$
Mol_3333
     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
    2.4565   -2.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7005   -1.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0048   -0.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7993    1.9144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7230    2.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1885    0.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2924   -1.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0484   -2.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
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 14 15  2  0
  3 16  1  0
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 16 18  1  0
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 20 21  1  0
 21  2  1  0
M  END
$$$$
Mol_3334
     RDKit          2D

 24 24  0  0  0  0  0  0  0  0999 V2000
  -14.4786    0.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1512   -0.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.5552   -0.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.6904    0.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3630    0.0088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0943    0.8091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3335
     RDKit          2D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3336
     RDKit          2D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3337
     RDKit          2D

 23 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3338
     RDKit          2D

 11 13  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3339
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3340
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3341
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3342
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
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  8 10  1  0
 10 11  1  0
M  END
$$$$
Mol_3343
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
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 14 15  1  0
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M  END
$$$$
Mol_3344
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -0.4106   -3.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2013   -1.9381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0
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M  END
$$$$
Mol_3345
     RDKit          2D

 41 45  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3346
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.8112   -0.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3347
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3348
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3349
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3350
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.5305    1.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1862   -0.7785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2926   -1.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  2  0
 11  4  1  0
M  END
$$$$
Mol_3351
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.0455   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0
 11  5  1  0
M  END
$$$$
Mol_3352
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -5.9144   -0.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 12  7  1  0
M  END
$$$$
Mol_3353
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.8112   -0.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3354
     RDKit          2D

 26 27  0  0  0  0  0  0  0  0999 V2000
   -2.2247   -4.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3355
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3356
     RDKit          2D

 28 29  0  0  0  0  0  0  0  0999 V2000
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 15  8  1  0
 27 17  1  0
M  END
$$$$
Mol_3357
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -3.4397    0.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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  2  5  1  0
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 15  5  1  0
M  END
$$$$
Mol_3358
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10  2  1  0
M  END
$$$$
Mol_3359
     RDKit          2D

 31 33  0  0  0  0  0  0  0  0999 V2000
   -5.0392   -6.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0273   -5.0648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4053   -2.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 30  1  0
 30 31  2  0
 31  4  1  0
 28  9  1  0
 22 14  1  0
M  END
$$$$
Mol_3360
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -3.7665   -0.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3523   -0.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2122    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2020   -0.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3422    0.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7564    0.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0304   -1.0716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
M  END
$$$$
Mol_3361
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -5.7445   -0.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5564    0.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1694   -0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9705   -1.9108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9813    0.4916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1802    1.9783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5943   -0.0795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5938    0.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9809    0.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1690    1.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5560    0.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7549   -0.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1420   -1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
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  3  5  1  0
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  5  7  1  0
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 10 11  2  0
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 12 13  1  0
M  END
$$$$
Mol_3362
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -4.7231    1.5218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2319    0.1045    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8708   -0.8766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9886    1.5789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4222   -1.3672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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 13 14  2  0
 14  9  1  0
M  END
$$$$
Mol_3363
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -5.0020   -0.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3364
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
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    4.5987   -0.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9170    0.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0
 10 11  1  0
M  END
$$$$
Mol_3365
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
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   -2.1492   -0.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0
  2  4  1  0
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  6  7  1  0
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 18 19  1  0
 19 20  1  6
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 23 24  1  0
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 25 26  1  0
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 27 28  1  0
 28 29  1  0
 28 10  1  0
 28 13  1  0
 25 14  1  0
 23 17  1  0
M  END
$$$$
Mol_3366
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    1.9486   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6495   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6495    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9486    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  2  1  0
M  END
$$$$
Mol_3367
     RDKit          2D

 26 25  0  0  0  0  0  0  0  0999 V2000
    9.6637    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7368    2.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4759    1.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5490    0.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2880   -0.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3611   -2.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1002   -3.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9540   -0.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6931   -0.8396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3590   -0.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2859    1.3444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0981   -0.9662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7640   -0.2804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4260   -0.5336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.0941    0.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4281    1.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5012    3.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8352    3.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  5  4  1  6
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
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 20 19  1  1
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 23 24  1  0
 24 25  1  0
 25 26  1  0
M  END
$$$$
Mol_3368
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
  -11.0437    0.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7406   -0.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4456    0.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1426   -0.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8476    0.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5446   -0.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2496    0.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9465   -0.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6515    0.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6515   -0.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9465    0.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2496   -0.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5446    0.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8476   -0.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1426    0.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4456   -0.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7406    0.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0437   -0.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
M  END
$$$$
Mol_3369
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.8382    0.7197    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6395   -0.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4407   -1.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0605   -0.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1210    0.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5012    1.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    0.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5185   -0.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1383   -1.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
M  END
$$$$
Mol_3370
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.0314   -1.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8178   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6088   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4904    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9904    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6088    1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8178    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0314    1.6317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  7  2  1  0
M  END
$$$$
Mol_3371
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -5.8514    0.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5393   -0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2537    0.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9416   -0.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6560    0.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6560   -0.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9416    0.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2537   -0.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5393    0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8514   -0.2717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
M  END
$$$$
Mol_3372
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -6.4481    1.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9870    1.5133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5502    0.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0890   -0.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6522   -1.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1910   -2.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1667   -0.9393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944   -1.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7313   -2.7134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3188   -0.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8819    1.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9062    2.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3674    2.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042    0.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7799   -0.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
M  END
$$$$
Mol_3373
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    5.1316    1.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7140    0.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4296   -0.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0119   -1.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8786   -0.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5391   -0.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0900   -0.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2233    0.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6410    0.2490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
M  END
$$$$
Mol_3374
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.9362    2.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8694    1.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4281   -0.8812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4979   -2.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2994    0.2010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7823   -0.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3279   -1.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8108   -1.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7480   -0.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2024    0.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7195    1.1461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3893    1.5335    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2840    2.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  3  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
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 13 14  1  0
 14 15  2  0
  9 16  1  0
 16 17  1  0
 16  2  1  0
 15 10  1  0
M  END
$$$$
Mol_3375
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
    8.1565    0.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8784   -0.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5594    0.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2813   -0.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9623    0.2949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6841   -0.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3652    0.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9130   -0.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2319    0.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5101   -0.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8290    0.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8698    1.5824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1072   -0.7020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4262    0.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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M  END
$$$$
Mol_3376
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3377
     RDKit          2D

 43 44  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3378
     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3379
     RDKit          2D

 44 45  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3380
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3381
     RDKit          2D

 40 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3382
     RDKit          2D

 41 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3383
     RDKit          2D

 39 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3384
     RDKit          2D

 42 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3385
     RDKit          2D

 42 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3386
     RDKit          2D

 38 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3387
     RDKit          2D

 38 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3388
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3389
     RDKit          2D

 43 44  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3390
     RDKit          2D

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M  END
$$$$
Mol_3391
     RDKit          2D

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$$$$
Mol_3392
     RDKit          2D

 42 43  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_3393
     RDKit          2D

 42 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3394
     RDKit          2D

 44 45  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3395
     RDKit          2D

 44 45  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_3396
     RDKit          2D

 22 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3397
     RDKit          2D

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M  END
$$$$
Mol_3398
     RDKit          2D

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M  END
$$$$
Mol_3399
     RDKit          2D

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M  END
$$$$
Mol_3400
     RDKit          2D

 43 44  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3401
     RDKit          2D

 40 42  0  0  0  0  0  0  0  0999 V2000
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 20 18  1  0
 39 34  1  0
M  END
$$$$
Mol_3402
     RDKit          2D

 41 42  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3403
     RDKit          2D

 45 46  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3404
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3405
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3406
     RDKit          2D

 40 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3407
     RDKit          2D

 42 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3408
     RDKit          2D

 44 46  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3409
     RDKit          2D

 43 44  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3410
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3411
     RDKit          2D

 33 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3412
     RDKit          2D

 42 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3413
     RDKit          2D

 43 45  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3414
     RDKit          2D

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M  END
$$$$
Mol_3415
     RDKit          2D

 44 45  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3416
     RDKit          2D

 44 45  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3417
     RDKit          2D

 44 45  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3418
     RDKit          2D

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M  END
$$$$
Mol_3419
     RDKit          2D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3420
     RDKit          2D

 41 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3421
     RDKit          2D

 42 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3422
     RDKit          2D

 42 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3423
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3424
     RDKit          2D

 43 44  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3425
     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3426
     RDKit          2D

 44 45  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3427
     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3428
     RDKit          2D

 39 41  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_3429
     RDKit          2D

 43 44  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3430
     RDKit          2D

 42 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3431
     RDKit          2D

 23 27  0  0  0  0  0  0  0  0999 V2000
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 16  6  1  0
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M  END
$$$$
Mol_3432
     RDKit          2D

 43 44  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3433
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.5833   -1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8333    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5833    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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M  END
$$$$
Mol_3434
     RDKit          2D

 41 42  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3435
     RDKit          2D

 44 45  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3436
     RDKit          2D

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M  END
$$$$
Mol_3437
     RDKit          2D

 44 46  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3438
     RDKit          2D

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$$$$
Mol_3439
     RDKit          2D

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M  END
$$$$
Mol_3440
     RDKit          2D

 45 47  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3441
     RDKit          2D

 43 44  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3442
     RDKit          2D

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M  END
$$$$
Mol_3443
     RDKit          2D

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$$$$
Mol_3444
     RDKit          2D

 44 46  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_3445
     RDKit          2D

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M  END
$$$$
Mol_3446
     RDKit          2D

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M  END
$$$$
Mol_3447
     RDKit          2D

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M  END
$$$$
Mol_3448
     RDKit          2D

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$$$$
Mol_3449
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 13  8  1  0
 21 12  1  0
M  END
$$$$
Mol_3450
     RDKit          2D

 42 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3451
     RDKit          2D

 41 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3452
     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
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 17  9  1  0
M  END
$$$$
Mol_3453
     RDKit          2D

 20 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3454
     RDKit          2D

 43 44  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3455
     RDKit          2D

 21 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3456
     RDKit          2D

 41 42  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3457
     RDKit          2D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3458
     RDKit          2D

 40 42  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3459
     RDKit          2D

 39 39  0  0  0  0  0  0  0  0999 V2000
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   14.6200    3.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2830    3.8028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
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 13 14  2  0
 14 15  1  0
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 17 18  1  1
 17 19  1  0
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 23 24  1  0
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 31 32  1  0
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 33 34  2  0
 34 35  1  0
 35 36  1  1
 35 37  1  0
 37 38  1  0
 38 39  2  0
 38 33  1  0
M  END
$$$$
Mol_3460
     RDKit          2D

 30 31  0  0  0  0  0  0  0  0999 V2000
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   10.3261    1.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
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 17 18  1  0
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 25 26  2  0
 26 27  1  0
 27 28  2  0
 12 29  1  0
 29 30  2  0
 30  9  1  0
 28 23  1  0
M  CHG  1  19   1
M  END
$$$$
Mol_3461
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  5 11  2  0
 11 12  1  0
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 13 14  1  0
 14 15  2  0
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 16 17  2  0
 17 18  1  0
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 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 21  3  1  0
 20 11  1  0
 19 14  1  0
M  END
$$$$
Mol_3462
     RDKit          2D

 43 43  0  0  0  0  0  0  0  0999 V2000
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  -12.5127    0.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4989    1.3126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1651    2.2638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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 10 11  1  0
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 13 15  1  0
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 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  1
 34 36  1  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  1  1
 39 41  1  0
 41 42  1  0
 42 43  2  0
 42 37  1  0
M  END
$$$$
Mol_3463
     RDKit          2D

 20 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
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 16 17  1  0
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 18 19  1  0
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  6  1  1  0
 17  8  1  0
 16  4  1  0
 17 12  2  0
 20 14  1  0
M  END
$$$$
Mol_3464
     RDKit          2D

 38 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3465
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3466
     RDKit          2D

 43 44  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_3467
     RDKit          2D

 42 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3468
     RDKit          2D

 44 45  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3469
     RDKit          2D

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M  END
$$$$
Mol_3470
     RDKit          2D

 42 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3471
     RDKit          2D

 40 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3472
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3473
     RDKit          2D

 42 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3474
     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3475
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3476
     RDKit          2D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3477
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3478
     RDKit          2D

 41 42  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3479
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3480
     RDKit          2D

 42 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3481
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
    1.0342    5.3057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3482
     RDKit          2D

 30 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3483
     RDKit          2D

  4  3  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3484
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
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   -1.2990    0.0833    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
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    2.5981   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
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  6  8  1  0
  6  9  1  0
M  END
$$$$
Mol_3485
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
    5.2500   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5 13  1  0
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 14  2  1  0
 12  6  1  0
M  END
$$$$
Mol_3486
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
   -0.7367   -5.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1134   -4.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3600   -1.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25  3  1  0
 23 14  1  0
M  END
$$$$
Mol_3487
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
    8.9127    0.4401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6300   -0.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3152    0.3847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0325   -0.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7177    0.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4350   -0.4482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1202    0.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0747    0.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3575   -0.6143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.7042    1.6075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  3  4  1  0
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 13 14  1  0
 13 15  2  0
M  END
$$$$
Mol_3488
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
    5.1188   -2.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8936   -1.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0305   -0.2740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8053    0.5914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9421    2.0851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7169    2.9505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7819    4.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0182    4.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3087    3.8214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0052   -2.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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M  END
$$$$
Mol_3489
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3490
     RDKit          2D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3491
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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 11  5  1  0
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M  END
$$$$
Mol_3492
     RDKit          2D

  5  5  0  0  0  0  0  0  0  0999 V2000
    1.2760   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3943   -1.2135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  1  1  0
M  END
$$$$
Mol_3493
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
  -13.1184   -0.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7996    0.5231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.9242   -0.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5746   -0.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
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 21 22  1  0
M  END
$$$$
Mol_3494
     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -2.9112   -2.8935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7017   -2.0063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4340    2.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  9 14  1  0
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  8  3  1  0
M  CHG  2  11   1  13  -1
M  END
$$$$
Mol_3495
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
    1.9683    3.0962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3858    1.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1026    1.5274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2206   -1.0505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7090   -0.8639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2916    0.5184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
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 17  2  1  0
 10  5  1  0
 17 12  1  0
M  END
$$$$
Mol_3496
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.6622   -2.6640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2956   -1.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5247   -2.1642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3559   -0.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2248    2.0229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9912    0.9198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0690    1.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 11  2  1  0
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M  END
$$$$
Mol_3497
     RDKit          2D

 40 38  0  0  0  0  0  0  0  0999 V2000
    4.9407    5.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    4.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3498
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3499
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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    1.1303    1.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  3  4  2  0
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 13  5  1  0
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 10  6  2  0
 29 12  1  0
M  END
$$$$
Mol_3500
     RDKit          2D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
M  END
$$$$
Mol_3501
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.5848    0.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0853    0.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3142   -2.9062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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 11 12  1  0
 11  4  1  0
M  END
$$$$
Mol_3502
     RDKit          2D

  5  5  0  0  0  0  0  0  0  0999 V2000
    1.2760   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    1.2135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3943   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  1  1  0
M  END
$$$$
Mol_3503
     RDKit          2D

  2  1  0  0  0  0  0  0  0  0999 V2000
   -0.7500    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
M  END
$$$$
Mol_3504
     RDKit          2D

 34 33  0  0  0  0  0  0  0  0999 V2000
  -16.0328   -0.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 34  1  0
M  END
$$$$
Mol_3505
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -2.8157    0.4537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7770   -0.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1002   -0.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    1.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2456    1.1191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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M  END
$$$$
Mol_3506
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
  -11.0437    0.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3507
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 17  6  1  0
 17 10  1  0
M  END
$$$$
Mol_3508
     RDKit          2D

 30 34  0  0  0  0  0  0  0  0999 V2000
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    3.1416   -1.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
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 12  7  1  0
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 30 16  1  0
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M  END
$$$$
Mol_3509
     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 10 11  2  0
 11 12  1  0
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 19  2  1  0
 27 21  1  0
 11  5  1  0
 18 13  1  0
M  END
$$$$
Mol_3510
     RDKit          2D

 23 22  0  0  0  0  0  0  0  0999 V2000
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   10.8262    1.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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M  END
$$$$
Mol_3511
     RDKit          2D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -7.8405   -1.0886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3512
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3513
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    1.5835    1.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6220    2.9237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6 20  1  0
 20 21  2  0
 21  3  1  0
 18  8  1  0
 17 11  1  0
M  END
$$$$
Mol_3514
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.6622   -2.6640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2956   -1.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5247   -2.1642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0690    1.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
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 23 24  1  0
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 25 26  1  0
 11  2  1  0
 25 16  1  0
  8  4  2  0
 25 10  1  0
M  END
$$$$
Mol_3515
     RDKit          2D

  5  5  0  0  0  0  0  0  0  0999 V2000
    1.2760   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3943   -1.2135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  1  1  0
M  END
$$$$
Mol_3516
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -6.9428    0.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4868    0.4844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4464   -0.5961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8620   -2.0374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2342    1.3943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1554   -1.9722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
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 22  5  1  0
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 19 12  1  0
 24 15  1  0
M  END
$$$$
Mol_3517
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
   10.6617    2.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1642    2.6131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4906    1.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9931    1.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3195   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6510   -1.6681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.4843    0.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3082    1.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8057    1.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6296    2.8251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4793    0.2314    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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M  END
$$$$
Mol_3518
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
    2.7933   -2.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2894   -2.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7854   -2.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8167    1.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5243    2.9186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2512    0.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 27 18  1  0
M  END
$$$$
Mol_3519
     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -6.3535    1.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4926    0.5143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3452   -0.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8394   -0.0572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7824   -1.6797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
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 17  5  1  0
M  END
$$$$
Mol_3520
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
    2.6608   -3.2701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3521
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3522
     RDKit          2D

 24 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3523
     RDKit          2D

 31 31  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3524
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3525
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3526
     RDKit          2D

 35 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3527
     RDKit          2D

 40 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3528
     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3529
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3530
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3531
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3532
     RDKit          2D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3533
     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3534
     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3535
     RDKit          2D

 49 52  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3536
     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3537
     RDKit          2D

 24 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3538
     RDKit          2D

 25 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3539
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
    3.9747   -0.9751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3540
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.3541   -3.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3541
     RDKit          2D

 22 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3542
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3543
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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    3.9722    1.5335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 14 15  1  0
 14  3  1  0
M  END
$$$$
Mol_3544
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -3.9279    1.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4910    0.5669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9820    0.8504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  3  1  0
 11  6  1  0
M  END
$$$$
Mol_3545
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
   12.8044    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5066   -0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2063    0.2666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0102    0.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7123   -0.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 18 20  1  0
 20 21  1  0
M  END
$$$$
Mol_3546
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -5.0745    0.7132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7570   -0.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4277   -2.4415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5785    0.3290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1277    2.1153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3547
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -2.2881    1.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9252    0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0462    2.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8933   -0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  4  1  0
 15 11  1  0
M  END
$$$$
Mol_3548
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.8024    0.3508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4697    1.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3549
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -2.7326   -1.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4117   -0.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  2  1  0
 12  6  1  0
M  END
$$$$
Mol_3550
     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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 12 10  1  0
M  END
$$$$
Mol_3551
     RDKit          2D

 69 74  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3552
     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3553
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3554
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.9968   -2.5864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3555
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3556
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3557
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3558
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3559
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -0.1910   -2.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3560
     RDKit          2D

 24 23  0  0  0  0  0  0  0  0999 V2000
  -10.9385   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3561
     RDKit          2D

 54 59  0  0  0  0  0  0  0  0999 V2000
  -14.2504   -0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3562
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3563
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3564
     RDKit          2D

 12 14  0  0  0  0  0  0  0  0999 V2000
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  6  3  1  0
  9  7  1  0
  8  5  1  0
M  END
$$$$
Mol_3565
     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -8.6830    0.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4345    1.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5303    2.7449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0902    0.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8417    1.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4974    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4016   -0.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6501   -1.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0574   -1.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8056   -2.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3215   -3.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3440   -1.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7883   -1.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8612   -2.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3055   -2.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6770   -0.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1213   -0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4927    1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9371    1.7119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4199    2.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9756    1.9504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6041    0.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5313    1.5454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1598    0.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0870    1.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573    0.7356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7288   -0.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9053    0.2128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
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 22 23  1  0
 22 24  1  0
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 25 26  1  0
 26 27  1  0
 27 28  1  0
 27  9  1  0
 27 12  1  0
 24 13  1  0
 22 16  1  0
M  END
$$$$
Mol_3566
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
   10.6450    2.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1515    2.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5264    1.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0330    1.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4078   -0.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9144   -0.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2892   -1.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7958   -1.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1707   -3.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6772   -3.1983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1910   -1.9751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6844   -2.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5527   -0.8923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0461   -1.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9144    0.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4078    0.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2761    1.2733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7695    1.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6377    2.3561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1312    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
M  END
$$$$
Mol_3567
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
   10.9619    3.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4748    2.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9013    1.6119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4142    1.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8407    0.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3536   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7801   -1.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2930   -1.7491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7195   -3.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2324   -3.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3188   -2.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1683   -2.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0819   -1.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5690   -1.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4826   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9697   -0.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8832    0.8383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3703    0.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2839    1.8317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7104    3.2177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7710    1.6354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
M  END
$$$$
Mol_3568
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
  -12.2170   -0.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9049    0.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6193   -0.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3072    0.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0217   -0.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7096    0.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4240   -0.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1119    0.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8263   -0.4178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5142    0.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7714   -0.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0834    0.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3690   -0.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6811    0.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -0.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5644   -0.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8764    0.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9029    1.6253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1620   -0.6473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
M  END
$$$$
Mol_3569
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
   -8.0686   -0.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7499    0.2819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4715   -0.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1527    0.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8744   -0.5728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5556    0.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2772   -0.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0415    0.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0820    1.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4007    2.2862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3199   -0.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6387    0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9170   -0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2358   -0.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5142   -0.8527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  2  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
M  END
$$$$
Mol_3570
     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -7.1984   -4.0277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0514   -3.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3150   -1.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1680   -0.6178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7574   -1.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6104   -0.1613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8740    1.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7270    2.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3163    1.7720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8307    2.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2413    2.2286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5049    0.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9155    0.2419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -1.2348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5671    4.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6408   -3.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3772   -5.0478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
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 18 19  1  0
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 10 21  1  0
 21 22  1  0
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  5 27  1  0
 27 28  1  0
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 29 30  1  0
 29  2  1  0
 25  8  1  0
 20 15  1  0
M  END
$$$$
Mol_3571
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -3.6125    1.2612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2434    0.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8639   -1.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -0.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9254    1.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5563    1.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3410    0.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0281    1.5276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12  2  1  0
 11  6  1  0
M  END
$$$$
Mol_3572
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.5242   -1.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3515   -0.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6852    0.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    2.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6852    0.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3515   -0.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5242   -1.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.2812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9  2  1  0
M  END
$$$$
Mol_3573
     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -7.1175    3.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8224    2.3524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9484    1.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4012    1.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1060    0.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6848   -0.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3897   -1.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5158   -2.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9685   -2.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5212   -3.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0213   -3.4770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4584   -2.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8356   -1.4614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0390   -2.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4162   -1.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5900   -0.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9671    0.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1409    1.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5181    2.4063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9375    2.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5603    2.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3866    0.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1832    1.5184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0094    0.0285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8060    0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5712    0.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7450   -1.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0354   -0.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 27  9  1  0
 27 12  1  0
 24 13  1  0
 22 16  1  0
M  END
$$$$
Mol_3574
     RDKit          2D

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.2990    0.2500    0.0000 Si  0  0  0  0  0  1  0  0  0  0  0  0
   -0.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.2500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
M  RAD  1   1   2
M  END
$$$$
Mol_3575
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    1.2717   -1.9622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1946   -0.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1413    0.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4001   -0.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7359    0.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8131    1.5825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9947   -0.7313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4533    0.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3762    1.8496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7892   -0.3306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  2  8  1  0
  8  9  2  0
  8 10  1  0
M  END
$$$$
Mol_3576
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -3.2228   -1.9173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2424   -0.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9533    0.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6446   -0.3835    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6446    0.3835    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9533   -0.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2424    0.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2228    1.9173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5511   -0.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5708   -1.8154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8403    0.4514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5511    0.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708    1.8154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8403   -0.4514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
  2 12  1  0
 12 13  2  0
 12 14  1  0
M  END
$$$$
Mol_3577
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.4269   -1.6003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -0.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9132    0.9519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4598    0.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6334   -0.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9481   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3052   -0.8467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6673    1.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    1.4541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9  4  1  0
M  END
$$$$
Mol_3578
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -3.3950    1.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5763    0.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2553   -1.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0784    0.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3994    1.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0984    1.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9172    0.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4151    0.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2338   -0.7476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2382   -0.9090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2596   -0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9387   -2.3272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  7 10  2  0
 10 11  1  0
 11 12  2  0
 11  4  1  0
M  END
$$$$
Mol_3579
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -2.4084    1.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8643    0.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8029   -1.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3817   -0.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0003    1.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4973    1.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414   -0.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4921   -0.3915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8801   -0.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4532   -1.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  9  4  1  0
 10  4  1  0
M  END
$$$$
Mol_3580
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.7029    2.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1679    1.5807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1139    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5789   -0.9847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0978   -1.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5627   -2.6233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5088   -3.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9184   -2.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1517   -0.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3294   -0.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2755    0.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7566    0.6315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2916   -0.7698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7404    2.2701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2593    2.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6868    1.3434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 11 14  1  0
 14 15  1  0
 15 16  1  0
 16  2  1  0
 16  9  1  0
M  END
$$$$
Mol_3581
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -5.3161    0.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0059    0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9832   -1.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7183    0.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4081    0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1205    0.8108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1897    0.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123   -1.4194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4773    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875    0.1197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0751    0.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8101   -1.3801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
M  END
$$$$
Mol_3582
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -3.1182    0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9843    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2678   -1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5669    0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5669   -0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9843    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2678    1.4730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1182   -0.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
M  END
$$$$
Mol_3583
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -2.5981    0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -1.3929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.8571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
M  CHG  1   7  -1
M  END
$$$$
Mol_3584
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.8717   -3.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5648   -1.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0640   -1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0357   -0.5906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7481    0.8816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4179    1.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0466    0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    2.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0203    2.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4669    1.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8466    0.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2931   -0.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8963   -1.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6899    1.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7397   -0.6205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7796   -0.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6669   -0.4845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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 16 17  1  0
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 17  7  1  0
M  END
$$$$
Mol_3585
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.5305    1.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6580   -0.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1651    0.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5446    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483    1.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8208    0.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3137    0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1862   -0.7785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003   -1.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2926   -1.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  7 10  1  0
 10 11  1  0
 11  4  1  0
M  END
$$$$
Mol_3586
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.9106   -1.5087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5361   -0.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0909    0.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7995    1.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2447    1.5511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3152    0.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7604    0.9023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0203   -0.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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 16  4  1  0
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M  END
$$$$
Mol_3587
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -4.7248   -0.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4328   -0.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1130    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8348   -0.8787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4850    1.3592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7631   -0.9027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0691   -0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3611   -0.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0830    1.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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  3  4  1  0
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  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
M  END
$$$$
Mol_3588
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -3.1797    2.2644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6081    0.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8897   -0.5151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4219   -1.5423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4228   -1.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3950   -2.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5101   -3.9613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7819   -1.8941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5678   -0.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5956    0.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4806    2.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2665    3.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0226    2.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3642    1.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1502    0.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
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 16 17  1  0
 17  2  1  0
 17  6  1  0
M  END
$$$$
Mol_3589
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -8.4276    1.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6370    0.3877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1378    0.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4291    1.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9299    1.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2213    3.1265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1393    0.5298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6400    0.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9314    1.8992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2296   -3.1050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7743    3.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3471   -0.8397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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M  END
$$$$
Mol_3590
     RDKit          2D

 40 44  0  0  0  0  0  0  0  0999 V2000
   -8.5299   -3.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1387   -3.4040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.2998    2.5370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9369    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7272    2.1738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3591
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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 17 10  1  0
M  END
$$$$
Mol_3592
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3593
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3594
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3595
     RDKit          2D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3596
     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3597
     RDKit          2D

 23 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3598
     RDKit          2D

 38 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3599
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 23  2  1  0
 11  5  1  0
M  END
$$$$
Mol_3600
     RDKit          2D

 23 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3601
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
    9.6596    3.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3602
     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3603
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3604
     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3605
     RDKit          2D

 29 31  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_3606
     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3607
     RDKit          2D

 39 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3608
     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 23  3  1  0
 18  8  1  0
 17 11  1  0
M  END
$$$$
Mol_3609
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
    7.6600   -0.5639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4279   -1.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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 24  6  1  0
 19 13  1  0
M  END
$$$$
Mol_3610
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.2587   -3.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5021   -2.1889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7790    2.4818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9889   -0.5109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  6  7  1  0
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 20 21  1  0
 20  3  1  0
 15  9  1  0
M  END
$$$$
Mol_3611
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.3500   -2.9115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2908   -1.4127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5593   -0.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1553   -0.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4829   -1.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0961    0.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7685    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5001    0.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4236    1.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4974   -1.7201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2881    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0196    1.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 19 20  2  0
  9  3  1  0
 20 14  1  0
M  END
$$$$
Mol_3612
     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -1.1632   -2.5872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0843   -1.0892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2523   -0.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8468   -0.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5202    0.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8569    1.4968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2624    1.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9257    0.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7577   -2.4506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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  3  4  2  0
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 11  5  1  0
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M  END
$$$$
Mol_3613
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -6.8801   -1.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0169   -0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3749    0.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6253    1.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 11  1  0
 21 14  1  0
M  END
$$$$
Mol_3614
     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 23  3  1  0
 19  5  2  0
 18  9  2  0
 16 10  1  0
M  END
$$$$
Mol_3615
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0
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 20 15  1  0
 26 19  1  0
M  END
$$$$
Mol_3616
     RDKit          2D

 29 33  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0
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  4  5  2  0
  5  6  1  0
  6  7  2  0
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  9 10  1  0
 10 11  1  0
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 27 28  1  0
  7 29  1  0
 29  2  1  0
 27  6  1  0
 26 11  1  0
 19 14  1  0
 25 18  1  0
M  END
$$$$
Mol_3617
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
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    0.8397   -3.2157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  6  7  2  0
  7  8  1  0
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  4 10  1  0
 10 11  1  0
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 14  3  1  0
 29 15  1  0
 31 13  1  0
 28 17  1  0
M  END
$$$$
Mol_3618
     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
    3.0529   -3.6482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7669   -1.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6239    0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1185   -0.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9755    1.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3378    2.5072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1948    3.7383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7013   -4.7527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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  4  5  1  0
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 11  5  1  0
 29 12  1  0
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M  END
$$$$
Mol_3619
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3620
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
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   -4.9587   -1.2128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 26  2  1  0
 24  6  1  0
 22 11  1  0
 21 14  1  0
M  END
$$$$
Mol_3621
     RDKit          2D

 27 28  0  0  0  0  0  0  0  0999 V2000
    5.1483   -3.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5403   -1.6941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0488   -1.5349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1652   -2.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6737   -2.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0657   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1911    1.9423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0916    3.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  4  5  1  0
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 22  3  1  0
 17 11  1  0
M  END
$$$$
Mol_3622
     RDKit          2D

 27 31  0  0  0  0  0  0  0  0999 V2000
   -1.7369    3.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7592    2.3163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2556    0.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7297    0.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2260   -0.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2033   -2.7899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6774   -2.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6550   -3.6496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1737   -1.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5578   -0.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9137   -1.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1472   -0.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0250    1.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2585    2.0419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6691    1.8302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9759    1.3225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1961    0.0411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1814    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7073    1.7606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 21  3  1  0
 27  4  1  0
 21  7  2  0
 20 11  2  0
 18 12  1  0
M  END
$$$$
Mol_3623
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -3.0373    4.6438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1277    0.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1353   -0.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6014   -0.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6090   -1.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1504   -2.6575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1580   -3.7687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6767   -1.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6616    0.3592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8197    2.2647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2858    1.9477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7443    0.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7368   -0.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7216   -2.8141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1200   -3.7650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3611    3.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1050    4.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1126    2.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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 10 11  2  0
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 30  2  1  0
 11  5  1  0
 30 13  1  0
 26 17  1  0
M  END
$$$$
Mol_3624
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
    4.5816    3.4222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2986    1.9491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8815    1.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5985   -0.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1813   -0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0471    0.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3701   -0.0169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6531   -1.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0703   -1.9814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2045   -0.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9216    0.4732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0558    1.4548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3557    3.4194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4730    0.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6072    1.9449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8501    1.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4329    0.9676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  9 10  1  0
 10 11  1  0
 11 12  1  0
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 30  2  1  0
 22  5  1  0
 30 24  1  0
 19 10  1  0
M  END
$$$$
Mol_3625
     RDKit          2D

 31 33  0  0  0  0  0  0  0  0999 V2000
   -4.4105   -2.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.1590   -0.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.2530   -1.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3780    2.6164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1920    2.2907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  4 10  1  0
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 14  3  1  0
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 31 13  1  0
M  END
$$$$
Mol_3626
     RDKit          2D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -2.7614    2.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3627
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3628
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -6.7049   -1.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3629
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3630
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -6.5721   -2.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3631
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3632
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 25 13  2  0
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M  END
$$$$
Mol_3633
     RDKit          2D

 29 31  0  0  0  0  0  0  0  0999 V2000
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   -6.0125   -1.9932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 28  6  1  0
 25  9  1  0
 24 13  1  0
M  END
$$$$
Mol_3634
     RDKit          2D

 24 28  0  0  0  0  0  0  0  0999 V2000
   -6.6254   -1.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7021   -1.1456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  7 24  1  0
 24  2  1  0
 11  6  1  0
 23 14  1  0
 23 10  1  0
 21 15  1  0
M  END
$$$$
Mol_3635
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    1.8766   -3.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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M  END
$$$$
Mol_3636
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.4291   -3.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17  2  1  0
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M  END
$$$$
Mol_3637
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    4.9915   -1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  4  1  0
M  END
$$$$
Mol_3638
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3639
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 14  5  1  0
M  END
$$$$
Mol_3640
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
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    1.6015   -0.0397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9534   -1.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5422   -1.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1904   -2.8602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3897   -0.2698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8852   -0.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7327    0.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2282    0.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0757    1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8764   -0.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
M  END
$$$$
Mol_3641
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -2.5233    1.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0124    0.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5015   -1.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4227   -0.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6021    0.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5455   -0.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2828   -1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9558    0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4449    1.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3662    0.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
M  END
$$$$
Mol_3642
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -5.5315    0.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0381    0.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1697   -0.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6763   -0.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0513    1.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4421    1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0672    2.5360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5606    2.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3105   -0.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8039    0.0898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6723   -1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1657   -0.9928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6855   -1.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8079   -1.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4330   -2.9183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  6  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
  9 13  1  0
 13 14  2  0
 14 15  1  0
 14  4  1  0
M  END
$$$$
Mol_3643
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.9530   -2.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6971   -0.8921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2891   -0.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1371   -1.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2709   -0.8181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4229   -1.7788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1669   -3.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5268    0.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9348    1.1772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1907    2.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3748    1.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0332    1.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1852    2.0639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5931    1.5465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  2  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 12  3  1  0
M  END
$$$$
Mol_3644
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.7738    1.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4006    0.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5337   -1.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0401   -0.9663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1733   -2.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3203   -2.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9470   -0.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4406   -0.5504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0802    0.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7069    1.8979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8401    3.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4134    0.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  2  0
 12  4  1  0
M  END
$$$$
Mol_3645
     RDKit          2D

  6  6  0  0  0  0  0  0  0  0999 V2000
    2.3133   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8133   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0684    1.2135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4949    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4949   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0684   -1.2135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  2  1  0
M  END
$$$$
Mol_3646
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
    2.1060    4.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9989    3.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4892    3.4733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3821    2.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7848    0.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6778   -0.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0805   -1.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5902   -1.8598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9929   -3.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5026   -3.4064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6097   -2.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8806   -2.3718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7735   -1.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2638   -1.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1567   -0.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6470   -0.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5399    0.9026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0302    0.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9231    1.9371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
M  END
$$$$
Mol_3647
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -6.0000    0.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000    0.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    2.2269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -0.3712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -0.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -2.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -0.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    0.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    2.2269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -0.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
M  END
$$$$
Mol_3648
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -1.2917   -3.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1374   -2.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5087   -1.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2609   -0.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1066    0.9408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1047    2.0572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8569    3.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6380    2.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7333    1.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4855    0.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9522    0.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9577   -0.3329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4133    2.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3312   -1.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7025   -1.6340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3293   -2.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 10 14  1  0
 14 15  2  0
 14 16  1  0
 16  2  1  0
M  END
$$$$
Mol_3649
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -7.3292   -2.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8719   -2.5279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8355   -1.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2563   -0.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2199    1.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6408    2.5203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7626    0.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7262    1.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1471    3.2492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2689    1.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7675    2.5385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2248    2.1831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1520    0.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6093   -0.3410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0301   -1.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4874   -2.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5238   -1.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9811   -1.4072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4020   -2.8469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1030    0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1394    1.4723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5967    1.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6457    0.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8845   -1.0700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3418   -0.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3782   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  2  0
 13 24  1  0
 24 25  1  0
 25 26  2  0
 26  3  1  0
 25  7  1  0
 23 14  1  0
M  END
$$$$
Mol_3650
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
    0.4433   -5.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2954   -4.0550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6522   -2.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8429   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4860   -1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3651
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3652
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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 15  4  1  0
M  END
$$$$
Mol_3653
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    3.6467    0.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6066   -1.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  4  1  0
M  END
$$$$
Mol_3654
     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3655
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3656
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3657
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.3524    3.1031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 11  6  1  0
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M  END
$$$$
Mol_3658
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
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 15  3  1  0
M  END
$$$$
Mol_3659
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -4.9087   -0.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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  9 10  2  0
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 12  7  1  0
M  END
$$$$
Mol_3660
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3661
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0
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M  END
$$$$
Mol_3662
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3663
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3664
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3665
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3666
     RDKit          2D

 40 46  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3667
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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M  END
$$$$
Mol_3668
     RDKit          2D

 50 56  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3669
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3670
     RDKit          2D

 53 60  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3671
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3672
     RDKit          2D

 49 56  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3673
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3674
     RDKit          2D

 34 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3675
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3676
     RDKit          2D

 59 66  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3677
     RDKit          2D

 55 62  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3678
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3679
     RDKit          2D

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M  END
$$$$
Mol_3680
     RDKit          2D

 37 43  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_3681
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3682
     RDKit          2D

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M  END
$$$$
Mol_3683
     RDKit          2D

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M  END
$$$$
Mol_3684
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3685
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3686
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3687
     RDKit          2D

 57 64  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3688
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3689
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3690
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  0
  4  5  1  0
M  END
$$$$
Mol_3691
     RDKit          2D

 57 65  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3692
     RDKit          2D

 53 61  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3693
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3694
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3695
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3696
     RDKit          2D

 53 60  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3697
     RDKit          2D

 55 63  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3698
     RDKit          2D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3699
     RDKit          2D

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M  END
$$$$
Mol_3700
     RDKit          2D

 61 68  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3701
     RDKit          2D

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M  END
$$$$
Mol_3702
     RDKit          2D

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$$$$
Mol_3703
     RDKit          2D

 37 43  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_3704
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_3705
     RDKit          2D

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M  END
$$$$
Mol_3706
     RDKit          2D

 49 56  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3707
     RDKit          2D

 54 62  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_3708
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_3709
     RDKit          2D

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M  END
$$$$
Mol_3710
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3711
     RDKit          2D

 36 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3712
     RDKit          2D

 61 68  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3713
     RDKit          2D

 58 66  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3714
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3715
     RDKit          2D

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M  END
$$$$
Mol_3716
     RDKit          2D

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M  END
$$$$
Mol_3717
     RDKit          2D

 50 57  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3718
     RDKit          2D

 48 56  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3719
     RDKit          2D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3720
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3721
     RDKit          2D

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M  END
$$$$
Mol_3722
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3723
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3724
     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3725
     RDKit          2D

 25 24  0  0  0  0  0  0  0  0999 V2000
    6.0638    6.0672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3726
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3727
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3728
     RDKit          2D

 23 22  0  0  0  0  0  0  0  0999 V2000
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    2.8633   -0.1888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6972    1.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8503   -0.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4523    1.0118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2549   -1.9817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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 20 21  1  0
 20 22  2  0
 20 23  2  0
M  END
$$$$
Mol_3729
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
  -11.0437   -0.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7406    0.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4456   -0.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1426    0.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8476   -0.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5446    0.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2496   -0.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9465    0.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6515   -0.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9465   -0.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2496    0.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5446   -0.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8476    0.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1426   -0.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4456    0.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7406   -0.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0437    0.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
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 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
M  END
$$$$
Mol_3730
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -4.7641    0.9611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6283   -0.0187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2119    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9312    1.9485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0761   -0.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2012   -1.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1817   -2.5805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1615   -1.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6612   -1.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3835   -0.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6061    1.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3283    2.4993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1064    1.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3841   -0.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  5  1  0
 14  8  1  0
M  END
$$$$
Mol_3731
     RDKit          2D

 25 25  0  0  0  0  0  0  0  0999 V2000
    0.2515    2.9157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1407    1.4679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5329    0.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5248   -1.0435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9748   -0.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3670    0.7885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8169    1.1728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2091    2.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1514    3.6842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8747    0.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3246    0.4935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4825   -1.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5402   -2.4022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0325   -1.7229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6403   -3.1707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9829   -0.3642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0406    0.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4906    0.3151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5483    1.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1561    2.8265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9982    0.9944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3751   -1.8120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8250   -2.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8828   -1.1327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2172   -3.6441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
  3 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 16 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 14  5  1  0
M  END
$$$$
Mol_3732
     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -4.1022   -2.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6376   -1.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1858   -0.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3260   -1.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1510   -2.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3802   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7043   -1.8704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7838   -0.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2801   -0.9344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1196    0.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4627    1.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9664    1.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1270    0.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6415    0.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7818    1.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6953    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9245    0.9423    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0731    1.9071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4829    1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6314    2.3596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7441   -0.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5956   -1.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
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 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 17  3  1  0
 22  3  1  0
 14  6  2  0
 13  8  1  0
M  END
$$$$
Mol_3733
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.4816    0.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0893   -0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8767   -1.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0903    0.8969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4825    0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8748   -0.2197    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  2  0
M  END
$$$$
Mol_3734
     RDKit          2D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
M  END
$$$$
Mol_3735
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.6042   -1.6317    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3906   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0360   -1.2135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9176    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0360    1.2135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3906    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6042    1.6317    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  2  1  0
M  END
$$$$
Mol_3736
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.8112   -0.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4985    0.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2136   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9009    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6159   -0.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3033    0.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0183   -0.3718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7056    0.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4207   -0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1080    0.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1770   -0.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4896    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7746   -0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0873    0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3722   -0.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6849    0.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9699   -0.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2825    0.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3102    1.6142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5675   -0.6594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8802    0.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
M  END
$$$$
Mol_3737
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -0.6429    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6429   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6429   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1429   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8571    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6071   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6071    1.2990    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  5  7  1  0
M  END
$$$$
Mol_3738
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    4.7664    0.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5254   -0.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1752    0.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9342   -0.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0434   -1.8038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4160    0.3456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6570   -0.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0072    0.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2481   -0.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1164    1.6525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
M  END
$$$$
Mol_3739
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
    4.8948    0.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6312   -0.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2994    0.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0358   -0.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2960    0.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1550   -0.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9595    1.5338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
M  END
$$$$
Mol_3740
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    5.1316    1.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7140    0.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4296   -0.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0119   -1.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8786   -0.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5391   -0.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6723    0.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0900   -0.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2233    0.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6410    0.2490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
M  END
$$$$
Mol_3741
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.9910   -1.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2785    0.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7791    0.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0674    1.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5067    1.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5497   -0.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7880   -1.1859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1370   -0.8436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  3  1  0
M  END
$$$$
Mol_3742
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -3.8971   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  0
M  END
$$$$
Mol_3743
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    1.9486   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6495   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6495   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9486   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9486    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6495    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6495    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9486    1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  2  1  0
M  END
$$$$
Mol_3744
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.5981   -1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  2  1  0
M  END
$$$$
Mol_3745
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -4.2333    0.8847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7461    0.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1720   -0.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6848   -0.8926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8024   -1.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7154    0.1018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2026   -0.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1157    1.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
M  END
$$$$
Mol_3746
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.6931   -0.9264    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2325   -0.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2064   -1.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2542   -1.3372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6886    0.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1492    0.4401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    1.1926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7981    0.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8243    1.9450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  8  2  2  0
M  END
$$$$
Mol_3747
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.8978   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5095   -1.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4489   -2.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4489   -2.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5095   -1.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8978    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5095    1.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4489    2.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4489    2.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5095    1.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  1  1  0
M  END
$$$$
Mol_3748
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -4.5553    0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2359   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6388   -0.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6388    0.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9583   -0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2359    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5553   -0.2480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
M  END
$$$$
Mol_3749
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -3.3863    0.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0220   -0.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    0.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5644   -0.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7068   -1.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7864    0.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1507    0.1928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
M  END
$$$$
Mol_3750
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.5981   -0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  8  2  1  0
M  END
$$$$
Mol_3751
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -2.0785    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7794    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
M  END
$$$$
Mol_3752
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -3.8971    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -1.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
M  END
$$$$
Mol_3753
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    5.1316    1.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7140    0.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4296   -0.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0119   -1.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8786   -0.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5391   -0.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6723    0.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0900   -0.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2233    0.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6410    0.2490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
M  END
$$$$
Mol_3754
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.5099    0.6389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0267    0.8624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0915   -0.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6396   -1.7067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3918   -0.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4444   -1.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7860   -0.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625    0.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0828    1.2444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9  5  1  0
M  END
$$$$
Mol_3755
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -3.0126   -1.4147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8754   -0.4365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1539    1.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0168    2.0156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3990    1.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6775    0.0460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4597   -0.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0399   -0.9662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8939   -2.1994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5357    0.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9724    0.8806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0
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  7  2  1  0
 10  5  1  0
M  END
$$$$
Mol_3756
     RDKit          2D

 23 22  0  0  0  0  0  0  0  0999 V2000
    5.6094    5.8982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5596    4.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  1  0
 22 23  1  0
M  END
$$$$
Mol_3757
     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -6.0547   -2.0546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1893   -0.8293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3758
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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M  END
$$$$
Mol_3759
     RDKit          2D

 29 29  0  0  0  0  0  0  0  0999 V2000
  -17.3706    0.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0895   -0.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8330    1.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4814   -0.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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M  END
$$$$
Mol_3760
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -2.3816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  2  3  1  0
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  4  5  1  0
  5  6  1  0
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  8  9  1  0
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  7  2  1  0
 12  7  1  0
M  END
$$$$
Mol_3761
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.6133    4.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 10  1  0
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M  END
$$$$
Mol_3762
     RDKit          2D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.0000    1.9486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 14 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 24 32  2  0
 32  2  1  0
 10  3  1  0
 32 13  1  0
M  END
$$$$
Mol_3763
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -7.2343    3.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8319    1.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1220   -2.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1722   -3.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6694   -2.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1182   -3.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3789   -3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7424   -0.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0722    0.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1361    1.9940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4659    2.6880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4765    0.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2105    1.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1467   -0.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8807    0.7166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4490    0.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7314    3.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8764    1.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  6
  6  8  1  0
  8  9  1  6
  9 10  1  0
 11 10  1  6
 11 12  1  0
 12 13  1  1
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  6
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  6
 21 23  1  0
 23 24  1  6
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 25 26  1  0
 26 27  1  6
  3 28  1  0
 28 29  1  0
 28 30  1  0
 26  8  1  0
 26 11  1  0
 23 12  1  0
 21 15  1  0
M  END
$$$$
Mol_3764
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -6.5164    1.1739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0607    0.8120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0195    1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5638    1.5298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1494    0.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6937   -0.2737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3476    0.8060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8033    0.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2177   -0.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6734   -1.3594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7146   -0.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3002    1.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3415    2.2416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8445    1.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4301    2.9654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1764   -2.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5909   -3.5189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2793   -1.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3205   -2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1906   -0.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6463   -0.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
  9 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
  5 20  1  0
 20 21  2  0
 21  2  1  0
 18  6  1  0
 14  8  1  0
M  END
$$$$
Mol_3765
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -4.6914    0.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2656    0.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1491   -0.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7234    0.0672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3932   -0.9344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8189   -0.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9354   -1.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1281    0.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5539    1.4656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
M  END
$$$$
Mol_3766
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    3.0984   -1.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4848   -0.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8711    1.3822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9342   -0.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0354    0.3192    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    2.4217    1.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6490   -1.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5860    0.7056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4733   -0.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0832   -1.8049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9227    0.0299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    1.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9599    1.3491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3463   -0.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7459   -0.6396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0872   -0.9156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
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  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 11  1  0
M  END
$$$$
Mol_3767
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -2.9833   -1.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7698   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3432   -1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5385   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0385   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0385   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0385    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5385   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3432    1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7698    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    1.6317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  4  9  1  0
  9 10  1  0
 10 11  2  0
 10  2  1  0
M  END
$$$$
Mol_3768
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    3.3670   -2.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6388   -1.2804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4971   -0.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0837   -0.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0580    0.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4714   -0.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7432   -1.8142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6131    0.6339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0265    0.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2982   -1.3435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1682    1.1046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2138    1.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6272    2.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7688    1.1677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1823    1.6700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  5 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14  3  1  0
M  END
$$$$
Mol_3769
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
    1.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
M  END
$$$$
Mol_3770
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -1.2990    2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    2.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
M  END
$$$$
Mol_3771
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -7.4268    0.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0609    0.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8411   -0.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4752    0.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2553   -0.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8894    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3304   -0.7279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6963   -0.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9161   -0.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2820   -0.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5018   -1.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4281    1.1319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7940    1.7518    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
M  END
$$$$
Mol_3772
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -3.6907   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1907   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3090   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1175   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4166   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7156   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7156    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4166    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1175    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3090    1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  2  1  0
  9  4  1  0
M  END
$$$$
Mol_3773
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
    0.6429    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6429    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6429   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1429    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8571    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6071    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6071   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  5  7  1  0
M  END
$$$$
Mol_3774
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -8.0349   -0.7370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2925    0.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0500    1.8611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5350   -0.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2224   -1.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4800   -3.2563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2073    0.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7073    0.6539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4497    1.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1921    3.2431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9498    1.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1922    3.2257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5350   -0.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2926    0.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5502    1.9048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
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  9 11  1  0
 11 12  2  0
 11 13  1  0
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 26 28  1  0
 28 29  1  0
 17 30  2  0
 30 31  1  0
 31 32  2  0
 10  4  1  0
 30 13  1  0
 31  8  1  0
 28 19  1  0
M  END
$$$$
Mol_3775
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -6.7014   -0.8299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2184   -0.6047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6719    0.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1889    1.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2524   -0.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7694    0.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.1008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6502   -0.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5867   -2.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0697   -1.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0062   -2.9939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6162   -0.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6796    0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2261    2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1966    0.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2601    1.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8066    3.0899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2229    1.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1594    2.6395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7988   -1.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2818   -1.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
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  8  9  2  0
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 10 11  1  0
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 16 18  1  0
 18 19  1  0
  5 20  1  0
 20 21  2  0
 21  2  1  0
 18  6  1  0
 15  8  1  0
M  END
$$$$
Mol_3776
     RDKit          2D

 23 23  0  0  0  0  0  0  0  0999 V2000
   11.5245    0.6303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1085    1.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9718    0.1467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5558    0.6418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4191   -0.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0032    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8664   -0.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4505   -0.3253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3137   -1.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1022   -0.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2389   -1.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6549   -1.2924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0866    0.1441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.9356    1.2867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8003    2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6548    3.9995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0813   -1.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5179   -1.6702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8877   -2.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9210   -3.6465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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 14 20  1  0
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 22 23  1  0
 22 12  1  0
M  END
$$$$
Mol_3777
     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
   -4.7706    1.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7105   -0.1964    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -4.6504   -1.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2093   -0.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2117   -0.1363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4103   -1.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9115   -1.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0181   -2.5214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -2.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6728   -2.8335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3649   -0.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5421    0.4272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9358   -0.1275    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    4.4905    1.2662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3810   -1.5212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3294   -0.6822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0791   -0.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5994    1.3105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3588    2.4646    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -0.7952    3.4228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5128    1.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3170    3.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
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 19 22  1  0
 17  7  1  0
M  END
$$$$
Mol_3778
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.1033    2.1446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6939    1.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5445    2.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8648    2.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1248    0.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5341    0.0905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7941   -1.3868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6835    1.0543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0246   -0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3847   -0.8732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9141   -2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5834   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4340    0.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
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  4  5  1  0
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 15  9  1  0
M  CHG  2   6   1   8  -1
M  END
$$$$
Mol_3779
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -4.0458    0.2755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6491    0.8225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4770   -0.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7016   -1.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0803    0.4336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0918   -0.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4885    0.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7130    1.5277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6606   -0.8914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
M  END
$$$$
Mol_3780
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
    0.7500    2.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -0.5567    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -0.5567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.8558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  2  0
  5  7  1  0
M  END
$$$$
Mol_3781
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
    4.0595   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5595   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1713   -1.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1106   -2.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3383   -2.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7872   -2.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8478   -1.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2361    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8478    1.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7872    2.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3383    2.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1106    2.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1713    1.4489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  2  1  0
M  END
$$$$
Mol_3782
     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -2.0031   -3.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3738   -2.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8179   -1.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0
  3  4  1  0
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  9 22  2  0
 22  2  1  0
 20 11  1  0
M  END
$$$$
Mol_3783
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -2.5681    1.6211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3935    0.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7391   -1.6496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7674    0.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1449    0.1427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
M  END
$$$$
Mol_3784
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
   11.4494    3.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0101    2.9362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6560    1.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167    1.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8626   -0.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6299   -2.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.6035    2.0115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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 17 18  1  0
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 19 20  1  0
 20 21  2  0
 20 22  1  0
M  END
$$$$
Mol_3785
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
    2.8748   -0.2197    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4825    0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3029   -0.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0893   -0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3020    1.4551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2689   -0.9563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
M  END
$$$$
Mol_3786
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.5280    0.5218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4673   -0.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6302    1.2983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8187    1.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    3.1354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8793    0.6258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4911   -0.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5518   -1.8837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0422   -1.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3460   -2.6602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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  5  7  1  0
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  8  9  1  0
  8 10  1  0
 10 11  1  0
 10  3  1  0
M  END
$$$$
Mol_3787
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
    5.6750   -2.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5578   -1.2136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2041   -0.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9677   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7332    1.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3234    1.7772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1431    1.3711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0259    2.8666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3775   -1.6197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4948   -3.1151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 24 13  1  0
 25  5  1  0
M  END
$$$$
Mol_3788
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
    3.5551    0.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2862   -0.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9590    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9061   -0.4882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
M  END
$$$$
Mol_3789
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -4.7511    0.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5294    0.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5018   -2.1727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3721   -0.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8623   -0.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4596    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5666    1.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0763    1.6303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4791    0.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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 10 11  1  0
 11 12  2  0
 12  4  1  0
 12  7  1  0
M  END
$$$$
Mol_3790
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
   -6.8393   -0.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6030   -3.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  4  5  1  0
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M  END
$$$$
Mol_3791
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
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    7.5907   -0.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
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 15 16  1  0
 16 17  1  0
 16 18  1  0
M  END
$$$$
Mol_3792
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.6025   -1.3505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1764    0.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2089    1.1758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6853   -0.6503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7732   -0.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1993    1.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6579    1.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6904    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2643   -1.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8057   -1.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
M  END
$$$$
Mol_3793
     RDKit          2D

 36 37  0  0  0  0  0  0  0  0999 V2000
   -4.3451   -5.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1852   -4.4513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4291   -2.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0766   -0.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8656   -2.5489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2943   -1.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6980   -2.1266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578   -1.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2615   -1.7043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5053   -3.1843    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
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   -1.8409    3.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4044    2.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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 10 11  1  0
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 12 18  1  0
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 18 24  1  0
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 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 33 36  1  0
  8  3  1  0
 30 10  1  0
M  END
$$$$
Mol_3794
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
    2.7534    0.3439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552   -0.6779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2212   -0.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6614    1.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2189   -1.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2127    0.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3109   -0.8194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5485    1.6643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  6  7  2  0
  6  8  1  0
M  END
$$$$
Mol_3795
     RDKit          2D

 24 23  0  0  0  0  0  0  0  0999 V2000
   -5.8751   -1.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3780   -1.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7109   -2.7498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5481   -0.1568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0510   -0.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2211    0.9987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8882    2.3421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0582    3.5916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7253    4.9351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4388    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2760    0.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1059    2.1541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6030    2.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4329    3.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2701    0.7166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9431   -0.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4401   -0.5329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1072   -1.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6043   -1.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2773   -3.1259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1131   -1.6883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3839   -1.5943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7802   -3.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4473   -4.3753    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  8 10  2  0
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 18 20  2  0
 16 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  3  0
M  END
$$$$
Mol_3796
     RDKit          2D

 44 44  0  0  0  0  0  0  0  0999 V2000
   15.5097   -4.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3011   -3.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9274   -4.5032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4663   -2.4099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2578   -1.5214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8840   -2.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6755   -1.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3018   -1.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8407    0.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6321    1.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2584    0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0498    1.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2150    2.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6761    0.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4676    1.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0938    1.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8853    2.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0505    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4229   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
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 44  5  1  0
M  END
$$$$
Mol_3797
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -3.7342    1.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1698   -1.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3260    0.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1121    1.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2683    2.5469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7421    0.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6285    1.0539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
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  6  7  1  0
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 13  4  1  0
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M  END
$$$$
Mol_3798
     RDKit          2D

 32 37  0  0  0  0  0  0  0  0999 V2000
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   -4.8094   -0.0114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3118    1.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7870    1.6735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  2  1  0
 32 14  1  0
 16  8  1  0
 32 19  1  0
 26 22  2  0
 32 30  1  0
M  END
$$$$
Mol_3799
     RDKit          2D

 37 36  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
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 10 11  1  0
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 34 37  1  0
M  END
$$$$
Mol_3800
     RDKit          2D

 28 28  0  0  0  0  0  0  0  0999 V2000
    6.6986   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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  4  5  1  0
  5  6  1  0
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 27 28  1  0
 28  1  1  0
M  END
$$$$
Mol_3801
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3802
     RDKit          2D

 24 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3803
     RDKit          2D

 38 42  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3804
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3805
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3806
     RDKit          2D

 26 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3807
     RDKit          2D

 32 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3808
     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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 10 11  1  0
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 20 21  1  0
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  9 23  1  0
 23  3  1  0
 22  7  1  0
 22 12  1  0
 18 13  1  0
M  END
$$$$
Mol_3809
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
   10.1369    4.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6919    2.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3208    0.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.9190    2.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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 19 21  1  0
 21 22  1  0
M  END
$$$$
Mol_3810
     RDKit          2D

 35 38  0  0  0  0  0  0  0  0999 V2000
  -14.0361    1.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5976    1.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0199   -0.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6688    1.3413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9325   -1.1502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3506   -0.6182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2814    0.4338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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M  END
$$$$
Mol_3811
     RDKit          2D

 24 23  0  0  0  0  0  0  0  0999 V2000
   13.7367    1.4956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5699    0.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1702    1.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0034    0.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6036    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4368   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0371    0.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8703   -0.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4705   -0.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.4946    2.7126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0612    2.3090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2942    3.7908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
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 21 23  1  0
 23 24  1  0
M  END
$$$$
Mol_3812
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
    1.2990    2.9635    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.2135    0.0000 Zr  0  0  0  0  0  2  0  0  0  0  0  0
   -1.2990    2.9635    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.2760   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3943   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7026    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2760    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2760   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7026   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  4  5  1  0
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  8  4  1  0
 13  9  2  0
M  CHG  6   4  -1   5  -1   6  -1   7  -1   8  -1  12  -1
M  END
$$$$
Mol_3813
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -5.9076   -0.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5307    0.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8038    1.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1806    1.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3845    0.9913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2115   -0.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4154   -1.3935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8346   -1.0939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
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 10 12  1  0
 12  6  1  0
M  END
$$$$
Mol_3814
     RDKit          2D

 30 34  0  0  0  0  0  0  0  0999 V2000
   -5.2191   -2.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2898    2.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
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 14  2  1  0
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M  END
$$$$
Mol_3815
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -1.7578    2.3964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4243    0.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7572   -1.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3425   -0.9709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5421    1.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1088    1.5116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0090    0.4916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  2  1  0
 11  6  1  0
M  END
$$$$
Mol_3816
     RDKit          2D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -5.5414   -2.0420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.3730    2.3805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
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 28  3  1  0
 14  7  1  0
 23 17  1  0
M  END
$$$$
Mol_3817
     RDKit          2D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -3.1773   -1.1317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0970    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1896   -1.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8376   -3.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
  3 15  1  0
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 17 18  2  0
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 22 23  1  0
 22 24  2  0
  2 25  1  0
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 27 28  1  0
 28 29  1  0
 14  8  1  0
 24 17  1  0
 29 25  1  0
M  END
$$$$
Mol_3818
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
  -12.5353   -1.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0647   -2.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0736   -0.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.6119   -0.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1412   -0.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1501    0.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6795    0.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6884    1.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2267    2.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2439    2.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2350    3.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7057    2.8694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1852    1.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6061   -0.5638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0856   -1.9851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5563   -2.2804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0358   -3.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5473   -1.1545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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  6  7  1  0
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 10 11  1  0
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 17 18  1  0
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 20 21  1  0
 20 22  2  0
M  END
$$$$
Mol_3819
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
  -13.5269   -0.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2169    0.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9291   -0.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6191    0.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3313   -0.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0213    0.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7335   -0.3582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4235    0.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1357   -0.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8257    0.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5379   -0.4352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7721    0.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0598   -0.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3699    0.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6576   -0.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9677    0.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5655    0.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8532   -0.5894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1632    0.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1855    1.6411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4510   -0.6280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
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 10 11  1  0
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 17 18  1  0
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 20 21  2  0
 20 22  1  0
M  END
$$$$
Mol_3820
     RDKit          2D

 32 32  0  0  0  0  0  0  0  0999 V2000
    5.0916    0.8334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8444    0.0000    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    5.0916   -0.8334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5517   -1.4712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7184   -2.7184    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    4.1896   -3.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0110   -4.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4712   -3.5517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -3.8444    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    0.8334   -5.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8334   -5.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4712   -3.5517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0110   -4.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0916   -0.8334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1896    3.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.8444    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -0.8334    5.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0110    4.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1896    3.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5517    1.4712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
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 25 28  1  0
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 29 30  1  0
 29 31  1  0
 29 32  1  0
 32  2  1  0
M  END
$$$$
Mol_3821
     RDKit          2D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -3.0582   -0.0065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6205    0.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5311   -0.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9066   -0.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3656   -0.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9377    0.9074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  4  1  0
M  END
$$$$
Mol_3822
     RDKit          2D

 32 31  0  0  0  0  0  0  0  0999 V2000
    0.3489   -4.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1752   -2.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6725   -2.8735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5043   -1.4422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3306   -0.1903    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    2.1570    1.0615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860    2.4031    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    2.8276    3.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5749    1.7984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8151    3.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5825   -1.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9241   -0.3457    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    4.5950   -1.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2531    0.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656    0.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0788    0.6361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9337    1.3067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6826   -1.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1081    0.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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 29 32  1  0
M  END
$$$$
Mol_3823
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
    0.2854   -4.0195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3807   -2.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8339   -2.1506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0396   -1.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8231    1.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0718    0.1713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2302    1.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3255    2.6644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8206   -0.1475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
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M  END
$$$$
Mol_3824
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
    4.5297   -0.1764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0452   -0.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1168    0.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6323    0.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0665   -0.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1485   -2.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1970   -2.9031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1599    3.1249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
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 12  4  1  0
  9  5  1  0
M  END
$$$$
Mol_3825
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -4.9064   -0.5072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6719   -1.3592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1961    0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8410    1.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2729   -0.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8693    2.7085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
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 14  7  1  0
M  END
$$$$
Mol_3826
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
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    0.6374   -1.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4203    1.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3118    3.1888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3827
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
    8.5835    1.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7280    0.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5072   -0.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9212   -0.6541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.7393   -0.6622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  1  0
 17 18  1  0
M  END
$$$$
Mol_3828
     RDKit          2D

 44 43  0  0  0  0  0  0  0  0999 V2000
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   21.1332    5.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6332    5.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 36 37  1  0
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 42 43  1  0
 43 44  1  0
M  END
$$$$
Mol_3829
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -3.2954    2.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2155    1.4631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8783    0.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  2  0
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 15 17  1  0
  9  3  1  0
 17  5  1  0
M  END
$$$$
Mol_3830
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -1.6071    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8571    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1429   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  4  7  1  0
M  END
$$$$
Mol_3831
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    3.4752    1.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2433   -0.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8440   -0.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4446   -1.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2897   -0.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  8  9  1  0
  8 10  2  0
M  END
$$$$
Mol_3832
     RDKit          2D

 23 23  0  0  0  0  0  0  0  0999 V2000
   -8.9835   -1.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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 21 23  1  0
 23 17  1  0
M  END
$$$$
Mol_3833
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.8112    0.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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M  END
$$$$
Mol_3834
     RDKit          2D

 25 25  0  0  0  0  0  0  0  0999 V2000
   -6.7901   -2.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2050   -1.1769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0346    1.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 24 25  1  0
 24  6  1  0
M  END
$$$$
Mol_3835
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -3.3863   -0.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
M  END
$$$$
Mol_3836
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3837
     RDKit          2D

 37 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3838
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3839
     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3840
     RDKit          2D

 44 43  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_3841
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3842
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3843
     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
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    1.1782    2.7263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21  3  1  0
 17  5  1  0
 14  8  1  0
M  END
$$$$
Mol_3844
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
   13.4580    0.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1690   -0.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8601    0.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5711   -0.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3845
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -2.4015   -1.9763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5175   -0.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4488    0.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9891    0.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4165    0.5741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7630    1.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9782    0.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4039    1.1293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
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  8  9  1  0
  6 10  1  0
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 12 13  1  0
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M  END
$$$$
Mol_3846
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -6.7561    0.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3336    0.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4483    1.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 11 12  1  0
 12 13  1  0
M  END
$$$$
Mol_3847
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -5.1412    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3912   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7161   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7161    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 17  6  1  0
M  END
$$$$
Mol_3848
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -3.2635    0.9896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7983    0.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1563   -0.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6322    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  7  1  0
M  END
$$$$
Mol_3849
     RDKit          2D

 25 29  0  0  0  0  0  0  0  0999 V2000
   -2.8933    1.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3850
     RDKit          2D

 36 39  0  0  0  0  0  0  0  0999 V2000
   -6.4187   -3.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3851
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
    3.5551    0.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2862   -0.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3852
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -3.6788    2.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0162    3.1335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 24  7  1  0
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M  END
$$$$
Mol_3853
     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -4.8255   -2.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8910    2.9631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21  3  1  0
 17  5  1  0
 14  8  1  0
M  END
$$$$
Mol_3854
     RDKit          2D

 24 23  0  0  0  0  0  0  0  0999 V2000
  -14.6172   -0.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3122    0.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.7142    0.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4212   -0.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.8232   -0.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2253   -0.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0697    0.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3627   -0.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6677    0.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9607   -0.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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M  END
$$$$
Mol_3855
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.8851   -3.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7874   -2.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2007   -0.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6622   -0.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0570   -1.6260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7939   -1.4837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7383   -0.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1216    0.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3793    1.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3002    3.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7161    0.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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 13  3  1  0
 11  6  2  0
M  END
$$$$
Mol_3856
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.4503    4.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5799    2.8299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0412    2.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0244    1.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1539   -0.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3857
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.6450    0.6199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0
M  END
$$$$
Mol_3858
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3859
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.8989   -3.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17  2  1  0
 11  6  2  0
M  END
$$$$
Mol_3860
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.3409   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8409   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1591    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  2  0
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  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
M  END
$$$$
Mol_3861
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.7500   -3.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15  2  1  0
  9  3  1  0
M  END
$$$$
Mol_3862
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.9868   -3.5336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8603   -2.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6939   -0.5753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2494    2.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167    0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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 14  3  1  0
 11  6  2  0
M  END
$$$$
Mol_3863
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -2.6406   -2.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5336   -1.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5086   -2.4487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6282    0.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7184    1.7647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3864
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3865
     RDKit          2D

 23 27  0  0  0  0  0  0  0  0999 V2000
    4.6154   -1.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8149   -0.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3866
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3867
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -3.9337   -1.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3868
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
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  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14  2  1  0
 11  4  1  0
 15 11  1  0
M  END
$$$$
Mol_3869
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.2472   -0.3190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9934   -1.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6534   -0.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5673    1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8211    1.8526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3996   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9404   -0.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0265    0.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3665    1.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6203    0.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5341   -0.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1942   -1.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  3  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
M  END
$$$$
Mol_3870
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    4.7881    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2881    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9762    1.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0945    2.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7955    3.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6963    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1229    3.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2376    2.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8477    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8477   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2376   -2.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1229   -3.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6963   -3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7955   -3.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0945   -2.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9762   -1.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16  2  1  0
M  END
$$$$
Mol_3871
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
  -12.3424   -0.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0401    0.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7443   -0.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4420    0.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1463   -0.3439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8440    0.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5482   -0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2459    0.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9502   -0.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6479    0.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6479   -0.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9502    0.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2459   -0.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5482    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8440   -0.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1463    0.3439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4420   -0.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7443    0.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0401   -0.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3424    0.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
M  END
$$$$
Mol_3872
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -11.5474   -2.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0487   -2.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2453   -1.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7466   -1.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9432   -0.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4445   -0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6410    0.9982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1423    0.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3389    2.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8402    2.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0368    3.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    3.3443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1572    2.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6559    1.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3512    0.6236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8499    0.5611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5451   -0.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0438   -0.8304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7391   -2.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2378   -2.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9331   -3.5511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
M  END
$$$$
Mol_3873
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
  -11.0437    0.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7406   -0.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4456    0.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1426   -0.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8476    0.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5446   -0.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2496    0.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9465   -0.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6515    0.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6515   -0.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9465    0.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2496   -0.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5446    0.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8476   -0.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1426    0.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4456   -0.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7406    0.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0437   -0.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
M  END
$$$$
Mol_3874
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    5.8622    1.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7910    0.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1647   -0.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3460    1.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2748   -0.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6486   -1.4967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8299    0.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2413   -0.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1324   -2.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6863   -0.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7575   -1.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2024   -0.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5761    0.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0211    0.9194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5049    1.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0600    1.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 10  1  0
M  END
$$$$
Mol_3875
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.9904   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4904   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6088    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8178    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0314    1.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8178   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0314   -1.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6088   -1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  6  8  1  0
  8  2  1  0
M  END
$$$$
Mol_3876
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -4.4473   -0.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0872   -0.2751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9550    1.2191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8594   -1.1367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4993   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3670    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9931    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1254    3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2210    0.7609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0887   -0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5831   -0.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4754   -2.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7286   -1.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  1  0
 13  5  1  0
M  END
$$$$
Mol_3877
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
    4.4814    2.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6166    1.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2456    0.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7394    0.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3807   -0.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8869   -0.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0221   -2.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4717   -1.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3366   -3.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1007   -0.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5945   -0.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2235    0.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7173    1.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3463    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5821   -0.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
M  END
$$$$
Mol_3878
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    6.2245    1.5652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1864    0.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6051   -0.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7297    0.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6916   -0.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2349    0.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1968   -0.9679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6155   -2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2600   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2980   -1.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1735    0.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6786    0.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 14 16  1  0
 16  9  1  0
M  END
$$$$
Mol_3879
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.9517   -2.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8000   -1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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  3  4  1  0
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 12  2  1  0
  8  3  1  0
M  CHG  2  13   1  15  -1
M  END
$$$$
Mol_3880
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -5.3161   -0.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0059   -0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4773   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0751   -0.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8101    1.3801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  4  5  1  0
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  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
M  END
$$$$
Mol_3881
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -6.1760    0.9815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1441   -0.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5711   -1.5452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6853    0.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5094    2.1711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  1  0
 16  6  1  0
 16  7  1  0
M  END
$$$$
Mol_3882
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -2.2535   -2.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7827   -1.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6257    0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6237   -0.3408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0925   -0.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1529   -1.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3139   -0.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  9 10  1  0
  9 11  1  0
  7 12  2  0
 12  2  1  0
M  END
$$$$
Mol_3883
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    4.8387    0.9888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3329   -0.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8870    0.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4111    0.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0165   -0.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5223   -2.0315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  2  3
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  6
  8 10  1  0
 10 11  1  0
 11 12  2  0
M  END
$$$$
Mol_3884
     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
    8.0038    1.6921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0396    0.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1209   -0.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1567   -1.2339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.2552    2.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7065    0.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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M  END
$$$$
Mol_3885
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -3.1856    1.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1398   -0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6508    0.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9721   -0.5055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.7367   -0.1126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2 11  1  0
 11 12  1  0
M  END
$$$$
Mol_3886
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -3.9724    1.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15  2  1  0
 13  8  1  0
M  END
$$$$
Mol_3887
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
    1.6497   -2.4877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3888
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
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    2.9197   -1.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4117   -0.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10  4  1  0
M  END
$$$$
Mol_3889
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.2683    4.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4318    2.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9005    2.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9092    1.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0727   -0.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3285   -1.4260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7572   -1.8831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1784   -2.9185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9609   -2.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9357    2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  6
  6  8  1  0
  8  9  1  0
  9 10  1  1
 10 11  1  0
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 12 13  1  0
 12 14  1  0
 11 15  1  0
 15 16  2  0
 15 17  1  0
 17  2  1  0
  9  6  1  0
M  END
$$$$
Mol_3890
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -1.6111   -1.9972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2436   -0.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0490    1.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5062    0.4591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2107   -0.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1489    0.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6449   -0.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8949   -1.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
  9 11  1  0
  8  2  1  0
  9  2  1  0
M  END
$$$$
Mol_3891
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -2.1814   -1.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9522   -0.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7231    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4698   -0.5846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4698    0.5846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9522    0.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7231   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1814    1.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4346    0.1263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9773   -1.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4597   -1.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3994   -0.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8567    1.0663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3743    1.2955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4346   -0.1263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9773    1.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4597    1.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3994    0.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8567   -1.0663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3743   -1.2955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 10 11  1  0
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 13 14  2  0
  2 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 14  9  1  0
 20 15  1  0
M  END
$$$$
Mol_3892
     RDKit          2D

 31 32  0  0  0  0  0  0  0  0999 V2000
    5.1962   -3.8226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952   -3.0726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952   -1.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.8226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.6774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    1.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    2.9274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.6774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.8226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    2.9274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.6774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0933   -1.5726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
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  8 10  1  0
 10 11  2  0
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 13 15  1  0
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 30 31  1  0
 30  3  1  0
 27 19  1  0
M  END
$$$$
Mol_3893
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -4.0571   -1.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4925    0.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4137    1.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0067    0.3391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4421    1.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0437    1.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9649    0.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5295    2.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4507    0.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0153    2.3465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3719   -0.2270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8073   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3215   -1.8226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7570   -3.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4003   -0.6388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1643   -2.0285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0855   -0.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
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  9 10  2  0
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 11 12  1  0
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 17  4  1  0
 15  7  1  0
M  END
$$$$
Mol_3894
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    3.4512   -1.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8342   -0.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7097    0.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -0.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7385   -1.6525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8852    1.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3926    1.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0224    1.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3176    1.9430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
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  6  7  2  0
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 10 11  1  0
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 14 15  1  0
 15 16  2  0
 15  4  1  0
M  END
$$$$
Mol_3895
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
   -6.4609   -0.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9610   -0.8936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3351    2.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8038    0.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3037    0.2713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  2  4  2  0
  4  5  1  0
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  6  7  1  0
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 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
M  END
$$$$
Mol_3896
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.1862    0.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6933    0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8208   -0.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4412   -1.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3278   -0.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1509    0.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2926    1.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11  5  1  0
M  END
$$$$
Mol_3897
     RDKit          2D

 27 32  0  0  0  0  0  0  0  0999 V2000
    3.4451   -1.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1396    0.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1809    1.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9921    2.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3898
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3899
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3900
     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
    7.2040   -2.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3901
     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
    2.4664   -3.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3902
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
    8.4437   -2.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3903
     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3904
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 10  1  0
M  END
$$$$
Mol_3905
     RDKit          2D

 28 32  0  0  0  0  0  0  0  0999 V2000
    2.1745   -1.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1141   -0.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6569   -1.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1393   -2.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0789   -0.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5613   -1.1846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361    0.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0537    0.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5108    2.0702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0284    2.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0888    1.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6317   -0.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6921   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7903   -1.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0633   -1.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5107   -1.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0430   -3.3938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3324   -0.7365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6627    2.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8319    3.1600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2153    2.6140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3936    1.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4187    2.6202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
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 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
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 17 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
  8  2  1  0
 27 11  1  0
 12  2  1  0
 27 15  1  0
 23 18  1  0
M  END
$$$$
Mol_3906
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.2973    0.6322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9468    1.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8368    2.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7062    0.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4082    1.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9889    0.6477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4331   -0.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9330   -0.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4157    0.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2142    1.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2329    2.6140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2257    2.6411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5899   -2.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3685   -3.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9870   -2.5716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9057   -2.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9276   -1.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3603   -1.4860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
  7 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  2  0
 17  4  1  0
 10  6  1  0
M  END
$$$$
Mol_3907
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    3.7286    1.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5453    0.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1643   -0.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9810   -1.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    0.4099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4143   -0.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6119    0.7275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9929    0.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1905    1.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1762   -1.3469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
M  END
$$$$
Mol_3908
     RDKit          2D

 28 29  0  0  0  0  0  0  0  0999 V2000
    9.1584   -2.9581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3955   -1.4769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2313   -0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301   -1.0662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6659   -0.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2647   -0.6556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1005    0.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6992   -0.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4621   -1.7260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5351    0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8662    0.1658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0303    1.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7932    2.5928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4316    0.5765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5957    1.5224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9970    0.9871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1612    1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5624    1.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7995   -0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2008   -0.6186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6354   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8725   -2.5104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7083   -3.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2341   -0.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9030    1.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3043    1.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4684    0.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8697    1.4854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  2  0
  5 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 27  3  1  0
 24 16  1  0
M  END
$$$$
Mol_3909
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
    0.9155    2.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3117    1.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1990    0.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6901    0.2562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5952   -1.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4825   -2.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9145   -1.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3831   -0.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5468    0.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1793    1.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1705    0.0282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10  2  1  0
 11  7  1  0
M  END
$$$$
Mol_3910
     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
    3.1278   -2.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8727   -0.9681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0253   -0.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4651   -0.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5372   -1.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9062   -2.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9640   -3.5356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3138   -1.5185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2416   -2.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1480   -0.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0902    1.2270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1623    2.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7189    2.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6611    4.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6887    2.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5229    1.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9663    1.4571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 16  4  1  0
M  END
$$$$
Mol_3911
     RDKit          2D

 27 28  0  0  0  0  0  0  0  0999 V2000
    9.0933   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0933    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0933   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0933   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
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  8 10  1  0
 10 11  1  0
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 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  2  0
  5 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 26  3  1  0
 23 15  1  0
M  END
$$$$
Mol_3912
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.6392   -2.2344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8603   -2.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6434   -3.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5767   -0.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0639   -0.6831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3381    0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0202    1.5081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8252    2.9954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9316    0.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1570   -0.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4748    0.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8290   -0.4845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0648    0.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9475   -1.9798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2007    1.6353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2327    2.7239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2865    1.8303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 11 15  1  0
 15 16  2  0
 15 17  1  0
  9  4  1  0
 17  9  1  0
M  END
$$$$
Mol_3913
     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    6.2765    1.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2702    0.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7303   -0.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8037    1.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7974   -0.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2575   -1.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3309    0.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3245   -0.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7847   -2.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1419   -0.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1483   -1.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6147   -1.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4010   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9956    1.2485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0685    1.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5287    2.6043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6021    0.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
 16 17  1  0
 16 18  1  0
 18 10  1  0
M  END
$$$$
Mol_3914
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.0138   -3.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3861   -2.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1136   -2.3224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0287   -1.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4966   -1.4426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6700    0.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8265    1.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    0.7537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5777    2.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3076    0.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0326    0.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8084    1.7596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3413   -1.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8327   -1.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    0.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3332    1.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4501    2.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6088    2.3371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  6 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 13  2  1  0
 16 11  1  0
M  END
$$$$
Mol_3915
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.3336   -2.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5577   -1.2963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3854   -0.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9889   -0.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1835    0.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5800   -0.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7524    0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1489   -0.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3213    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3731   -1.6145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0407    1.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4372    2.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6096    1.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0061    1.6700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
  5 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13  3  1  0
M  END
$$$$
Mol_3916
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2990   -2.5109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -1.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -1.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952   -1.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942   -0.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942    1.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933    1.9891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952    1.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    1.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -1.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -2.5109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -1.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -0.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    1.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952    1.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942    1.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0933    1.9891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942   -0.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952   -1.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
  2 12  1  0
 12 13  1  0
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 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 11  5  1  0
 23 17  1  0
M  END
$$$$
Mol_3917
     RDKit          2D

 26 27  0  0  0  0  0  0  0  0999 V2000
    8.7945   -2.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7603   -0.6371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4445    0.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1629   -0.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8471    0.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5655   -0.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2497   -0.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9681   -0.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0023   -2.3143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3477   -0.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6293   -0.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5951   -2.3735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9451   -0.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2267   -0.9331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5425   -0.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5767    1.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8924    2.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1741    1.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4898    1.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1399   -0.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4215   -1.0515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8241   -0.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8130    1.5235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0946    2.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4104    1.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6920    2.3621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  2  0
  5 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25  3  1  0
 22 15  1  0
M  END
$$$$
Mol_3918
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.7114   -3.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0766   -2.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2017   -1.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6119   -0.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1769    1.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7224    2.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6758    1.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0349    2.2899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4516    2.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8107    1.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6107    0.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6551    1.6636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9033   -0.1742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5978   -0.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7760   -2.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4063   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16  2  1  0
 14 11  1  0
M  END
$$$$
Mol_3919
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
   -6.9381   -0.6766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4403   -0.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7626   -2.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6203    0.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1226    0.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3026    1.6712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8048    1.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0152    2.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1271    0.2509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3707    0.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0484   -1.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5462   -1.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2239   -2.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3662    0.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8639   -0.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6839    1.1784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  3
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  3
 14 15  1  0
 15 16  1  0
M  END
$$$$
Mol_3920
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -3.1158    1.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4104    0.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2042   -0.9283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9113    0.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1175    1.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3816    1.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0870    0.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4108    0.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7923   -1.1324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2932   -1.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2059   -1.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9997   -2.3031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11  4  1  0
 10  7  1  0
M  END
$$$$
Mol_3921
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -4.4838   -0.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0164    0.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7835    0.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
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 11  5  1  0
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M  END
$$$$
Mol_3922
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.0172   -1.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4629   -0.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4355   -0.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3655   -2.0413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0487   -1.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
 11  4  1  0
M  END
$$$$
Mol_3923
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -7.9374   -0.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5383   -0.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4434   -1.4399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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  8 10  1  0
 10 11  1  0
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 31  4  1  0
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 26 13  1  0
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M  END
$$$$
Mol_3924
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.1122   -0.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7738    0.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4392   -0.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2087   -2.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6244    0.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8847    1.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5652   -0.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0473   -0.5511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0528    1.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5350    1.4946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  5  9  1  0
  9 10  1  0
 10  2  1  0
M  END
$$$$
Mol_3925
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.0597   -0.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5674   -0.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6894   -1.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7545   -1.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4085   -0.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5390    0.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9533    0.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8313    2.0565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7019    0.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8648   -0.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6493    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
  9 11  1  0
  7  2  1  0
  9  4  1  0
M  END
$$$$
Mol_3926
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -5.8622    1.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7910    0.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1647   -0.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3460    1.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2748   -0.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6486   -1.4967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8299    0.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2413   -0.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1324   -2.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6863   -0.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0600    1.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5049    1.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5761    0.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0211    0.9194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2024   -0.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7575   -1.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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 15 16  1  0
 16 10  1  0
M  END
$$$$
Mol_3927
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.2342   -3.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5449   -2.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9545   -2.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9230   -1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3752   -1.4895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8305    1.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2105    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6496    2.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0704    0.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4016    2.4150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 12  2  1  0
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M  END
$$$$
Mol_3928
     RDKit          2D

 26 27  0  0  0  0  0  0  0  0999 V2000
    9.1362   -2.3638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1407   -0.8638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8439   -0.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5426   -0.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2458   -0.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1497    2.1361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 22 14  1  0
M  END
$$$$
Mol_3929
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.8112    0.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4985   -0.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1770    0.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5675    0.6594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8802   -0.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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 18 20  1  0
 20 21  1  0
M  END
$$$$
Mol_3930
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
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    1.4038    1.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  9 10  1  0
  9 11  1  0
  6  2  1  0
 11  5  1  0
M  END
$$$$
Mol_3931
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    6.1094    1.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7328    1.9929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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M  END
$$$$
Mol_3932
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    5.8622    1.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7910    0.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 16  2  0
 16 10  1  0
M  END
$$$$
Mol_3933
     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
    5.9031    1.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8436    0.5267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9536    2.0734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3934
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -5.9682   -1.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7972   -0.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3396    0.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1134    2.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7369    0.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3404   -1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3935
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -5.3161   -0.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0059   -0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8101    1.3801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  2  0
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M  END
$$$$
Mol_3936
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3937
     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3938
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3939
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0
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M  END
$$$$
Mol_3940
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3941
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3942
     RDKit          2D

 21 24  0  0  0  0  0  0  0  0999 V2000
    1.2692    3.4838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3943
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
    4.8582    5.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3944
     RDKit          2D

 52 51  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3945
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3946
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3947
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3948
     RDKit          2D

 52 60  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3949
     RDKit          2D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3950
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3951
     RDKit          2D

 56 62  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3952
     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3953
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3954
     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3955
     RDKit          2D

 30 31  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3956
     RDKit          2D

 28 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3957
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3958
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3959
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3960
     RDKit          2D

 44 47  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3961
     RDKit          2D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3962
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3963
     RDKit          2D

 60 65  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3964
     RDKit          2D

 43 48  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3965
     RDKit          2D

 40 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3966
     RDKit          2D

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M  END
$$$$
Mol_3967
     RDKit          2D

 57 62  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_3968
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3969
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -3.4867   -0.7905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0239    0.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  8 10  1  0
  7  2  1  0
  8  5  1  0
M  END
$$$$
Mol_3970
     RDKit          2D

 67 73  0  0  0  0  0  0  0  0999 V2000
    8.9381   -6.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_3971
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -3.2455    3.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1709    2.3303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6112    0.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1261    0.7275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5664   -0.6641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0813   -0.8752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8441    0.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2843    1.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    2.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500    4.2692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6948    2.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22  6  1  0
 15  7  1  0
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M  END
$$$$
Mol_3972
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -6.9435   -0.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8357    1.5381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0
 10 12  2  0
M  END
$$$$
Mol_3973
     RDKit          2D

 44 47  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3974
     RDKit          2D

 44 47  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3975
     RDKit          2D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3976
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3977
     RDKit          2D

 36 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3978
     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3979
     RDKit          2D

 49 52  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3980
     RDKit          2D

 39 43  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_3981
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3982
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3983
     RDKit          2D

 62 68  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3984
     RDKit          2D

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$$$$
Mol_3985
     RDKit          2D

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M  END
$$$$
Mol_3986
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_3987
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3988
     RDKit          2D

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M  END
$$$$
Mol_3989
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3990
     RDKit          2D

 50 53  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3991
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3992
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3993
     RDKit          2D

 48 51  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3994
     RDKit          2D

 43 46  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_3995
     RDKit          2D

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M  END
$$$$
Mol_3996
     RDKit          2D

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 13  2  1  0
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M  END
$$$$
Mol_3997
     RDKit          2D

 59 65  0  0  0  0  0  0  0  0999 V2000
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 42 37  1  0
 55 50  1  0
M  END
$$$$
Mol_3998
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
    4.5109    2.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4201    1.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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 29 16  1  0
 27 20  1  0
M  END
$$$$
Mol_3999
     RDKit          2D

 68 75  0  0  0  0  0  0  0  0999 V2000
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   -7.2934   -0.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6687    0.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1242   -1.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3303   -2.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1612   -4.2008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7858   -4.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5797   -3.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7488   -2.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6317    2.6526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.1763    4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3824    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2132    2.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9242    1.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4511    0.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9447    0.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4927   -0.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8940   -1.9039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5965   -2.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4882   -0.8669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1952   -3.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6856   -3.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2843   -4.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3925   -6.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9021   -6.0299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3034   -4.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9924   -0.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4779    2.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6156    2.0511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5447    3.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  6
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  1
  9 10  1  0
 10 11  1  1
 11 12  1  0
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 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 10 21  1  0
 21 22  1  1
 21 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  1
 25 27  1  0
 27 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  1  6
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  1  1
 34 36  1  0
 36 37  1  1
 37 38  1  0
 38 39  2  0
 38 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  2  0
 36 46  1  0
 46 47  2  0
 47 48  1  0
 48 49  2  0
 49 50  1  0
 50 51  2  0
 30 52  1  0
 52 53  1  0
 53 54  1  1
 53 55  1  0
 55 56  1  0
 56 57  1  0
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 59 60  2  0
 60 61  1  0
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 53 66  1  0
 66 67  1  0
 66 68  1  0
  8  5  1  0
 19 12  1  0
 65 21  1  0
 65  5  1  0
 66 27  1  0
 45 40  1  0
 51 46  1  0
 64 59  1  0
M  END
$$$$
Mol_4000
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.8112   -0.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4985    0.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2136   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9009    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6159   -0.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3033    0.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0183   -0.3718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7056    0.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4207   -0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1080    0.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1770   -0.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4896    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7746   -0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0873    0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3722   -0.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6849    0.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9699   -0.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2825    0.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3102    1.6142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5675   -0.6594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8802    0.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
M  END
$$$$
Mol_4001
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -4.4101   -1.9361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.5266    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3743   -0.2661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    1.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.9734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.9734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.2766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.5266    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3743   -0.2661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4101   -1.9361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.9734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -1.2766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  2  0
 11 14  1  0
 14 15  1  0
  6 16  1  0
 16 17  1  0
 17  2  1  0
 15  8  1  0
M  END
$$$$
Mol_4002
     RDKit          2D

 13 15  0  0  0  0  0  0  0  0999 V2000
   -1.1441   -3.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1464   -2.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6174   -0.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3803    0.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0908    1.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5596    2.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5574    1.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4251   -0.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8492    0.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3180   -0.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3781    1.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8514   -0.9337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0863   -0.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
  7 13  1  0
 12  3  1  0
 13  3  1  0
 11  5  1  0
M  END
$$$$
Mol_4003
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -3.8971   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12  2  1  0
 11  5  1  0
M  END
$$$$
Mol_4004
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
   -9.0933   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933   -0.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
M  END
$$$$
Mol_4005
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
  -10.9048    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5900   -0.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3073    0.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9925   -0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7098    0.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3950   -0.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1124    0.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7976   -0.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5149    0.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7999   -0.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0826    0.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3974   -0.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6801    0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9949   -0.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2776    0.6142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5924   -0.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8751    0.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6245   -1.6075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
M  END
$$$$
Mol_4006
     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.8532    2.2472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0892    0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8252   -0.3507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3251   -0.3669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0611   -1.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5610   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3250   -0.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8249   -0.4153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5890    0.9079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0891    0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4107    0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1467    2.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6466    2.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4105    1.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6745   -0.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4384   -1.5932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7025   -2.9003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9384   -1.5771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1746   -0.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 15 19  2  0
 10  4  1  0
 19 11  1  0
M  CHG  2  16   1  18  -1
M  END
$$$$
Mol_4007
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -6.2846    0.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8234    0.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7994   -0.6905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3381   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9010    1.0832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4397    1.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5843    0.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0456    0.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0696   -0.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5308   -0.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5549   -1.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9680    1.3425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1471   -1.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3141   -1.4477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
  7 13  1  0
 13 14  2  0
 14  4  1  0
M  END
$$$$
Mol_4008
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -3.6519    0.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1877    1.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7376    2.7327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1736    0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6237   -1.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0880   -1.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6096   -2.3395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2906    0.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3047   -0.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690   -0.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2191    1.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2050    2.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5290   -0.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8546   -2.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3188   -1.6883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1595   -0.9087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7408    1.9531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  4  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 12 17  1  0
 16  8  1  0
 17  8  1  0
 15 10  1  0
M  END
$$$$
Mol_4009
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.8112    0.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4985   -0.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2136    0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9009   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6159    0.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3033   -0.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0183    0.3718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7056   -0.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4207    0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1080   -0.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1770    0.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4896   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7746    0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0873   -0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3722    0.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6849   -0.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9699    0.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2825   -0.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3102   -1.6142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5675    0.6594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8802   -0.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
M  END
$$$$
Mol_4010
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
   -9.9850    3.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5439    3.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1836    1.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7425    1.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3823   -0.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9411   -0.6338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5809   -2.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1397   -2.5060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7795   -3.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0588   -1.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6177   -1.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4632   -0.8420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9043   -1.2580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9852   -0.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4264   -0.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5073    0.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9484   -0.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0293    1.0299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6691    2.4860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4705    0.6139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5513    1.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
M  END
$$$$
Mol_4011
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.6401   -0.6127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135   -0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6401   -0.6127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  2  1  0
M  END
$$$$
Mol_4012
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.6995   -3.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2849   -1.7261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3817   -0.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8930   -0.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9897    0.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4990    0.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4023    1.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8910    1.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4765   -0.0648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9652   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8685    0.9493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5507   -1.6293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5733   -1.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0845   -1.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5752    1.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0639    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9672    0.8524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4559    1.0359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
  9 13  1  0
 13 14  1  0
  5 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17  3  1  0
 14  6  1  0
M  END
$$$$
Mol_4013
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -7.1638    0.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3350   -0.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8379   -0.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1695    1.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6723    1.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8436   -0.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5120   -1.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0091   -1.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6775   -2.8381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3464    0.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4823   -1.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9795   -1.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8082   -2.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3054   -2.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9737   -0.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4709   -0.8471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1450    0.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8134    1.6534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3105    1.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6478    0.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8191    1.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3219    1.3757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5068    2.6259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0040    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  6 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
  8  3  1  0
 22 10  1  0
 24  5  1  0
 20 12  1  0
M  CHG  1  22   1
M  END
$$$$
Mol_4014
     RDKit          2D

 27 30  0  0  0  0  0  0  0  0999 V2000
    7.1208   -1.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3143   -0.0585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8157   -0.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1237   -1.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6252   -1.5216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8186   -0.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5107    1.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7041    2.3387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0092    1.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7012    2.4709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1997    2.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3201   -0.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4864    0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9850    0.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7915    2.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2901    2.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9821    0.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4806    0.6772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2871    1.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1755   -0.5214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8675   -1.8522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3661   -1.9183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6770   -0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8704   -1.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3719   -1.6538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4346   -2.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9332   -2.8524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
  6 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
  9  3  1  0
 25 12  1  0
 27  5  1  0
 23 14  1  0
M  END
$$$$
Mol_4015
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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  8  3  1  0
 18 12  1  0
 22  6  1  0
M  END
$$$$
Mol_4016
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
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   -2.0040    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
  6 10  1  0
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 23 24  1  0
  8  3  1  0
 22 10  1  0
 24  5  1  0
 20 12  1  0
M  END
$$$$
Mol_4017
     RDKit          2D

 46 52  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  28   1  30  -1
M  END
$$$$
Mol_4018
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4019
     RDKit          2D

 25 29  0  0  0  0  0  0  0  0999 V2000
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 22  5  1  0
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M  END
$$$$
Mol_4020
     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4021
     RDKit          2D

 24 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4022
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4023
     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4024
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4025
     RDKit          2D

 24 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4026
     RDKit          2D

 45 52  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4027
     RDKit          2D

 25 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4028
     RDKit          2D

 25 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4029
     RDKit          2D

 45 51  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4030
     RDKit          2D

 46 52  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4031
     RDKit          2D

 25 29  0  0  0  0  0  0  0  0999 V2000
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 18  5  1  0
 25 12  1  0
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M  END
$$$$
Mol_4032
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.5232   -3.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4033
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4034
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  CHG  1  18   1
M  END
$$$$
Mol_4035
     RDKit          2D

 25 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4036
     RDKit          2D

 46 52  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4037
     RDKit          2D

 44 50  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4038
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4039
     RDKit          2D

 46 52  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4040
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4041
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4042
     RDKit          2D

 25 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4043
     RDKit          2D

 47 53  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4044
     RDKit          2D

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M  END
$$$$
Mol_4045
     RDKit          2D

 46 52  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4046
     RDKit          2D

 47 53  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4047
     RDKit          2D

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M  END
$$$$
Mol_4048
     RDKit          2D

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M  END
$$$$
Mol_4049
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4050
     RDKit          2D

 23 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4051
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  10   1  12  -1
M  END
$$$$
Mol_4052
     RDKit          2D

 25 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4053
     RDKit          2D

 54 59  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4054
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4055
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4056
     RDKit          2D

 16 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4057
     RDKit          2D

 38 42  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_4058
     RDKit          2D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4059
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4060
     RDKit          2D

 29 33  0  0  0  0  0  0  0  0999 V2000
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 16  5  1  0
 16  9  1  0
M  END
$$$$
Mol_4061
     RDKit          2D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4062
     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4063
     RDKit          2D

 34 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4064
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4065
     RDKit          2D

 30 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4066
     RDKit          2D

 19 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4067
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4068
     RDKit          2D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4069
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4070
     RDKit          2D

 25 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4071
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4072
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4073
     RDKit          2D

 46 46  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_4074
     RDKit          2D

 26 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4075
     RDKit          2D

 23 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4076
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_4077
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4078
     RDKit          2D

  4  4  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4079
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4080
     RDKit          2D

 15 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4081
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4082
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4083
     RDKit          2D

 12 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4084
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4085
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4086
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4087
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4088
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4089
     RDKit          2D

 38 42  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_4090
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4091
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4092
     RDKit          2D

 41 47  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_4093
     RDKit          2D

 35 34  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_4094
     RDKit          2D

 52 57  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_4095
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4096
     RDKit          2D

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$$$$
Mol_4097
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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    0.0574    3.0803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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  9  4  1  0
 21 13  2  0
 32 23  1  0
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M  END
$$$$
Mol_4098
     RDKit          2D

 20 23  0  0  0  0  0  0  0  0999 V2000
    1.2408    2.6068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0779    0.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
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 12  4  2  0
 20 15  1  0
 11  6  1  0
M  END
$$$$
Mol_4099
     RDKit          2D

 46 49  0  0  0  0  0  0  0  0999 V2000
    4.5876   -8.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4779   -6.6196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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  3  4  2  0
  4  5  1  0
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M  END
$$$$
Mol_4100
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -3.2476   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9486   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6495   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9486    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6495    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2476    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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 11  2  1  0
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M  END
$$$$
Mol_4101
     RDKit          2D

 32 34  0  0  0  0  0  0  0  0999 V2000
    2.9456   -3.6455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8942   -2.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7791    1.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7152    4.2884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9067   -4.1267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4102
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
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    0.0090    0.4916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
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 10 11  2  0
 11  2  1  0
 11  6  1  0
M  END
$$$$
Mol_4103
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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   -4.8159    1.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3187    1.0354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4873    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4133   -1.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8153   -1.9365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7558   -0.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2535   -0.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9304    0.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1096    1.9092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6119    1.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9350    0.4876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3102   -0.9886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1416   -1.9290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7089   -1.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9391   -3.0126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8775   -0.5899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2762   -1.1317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  5 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20  3  1  0
 15  7  1  0
 15 10  1  0
M  END
$$$$
Mol_4104
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
  -11.8750   -0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5612    0.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2774   -0.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9636    0.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6799   -0.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3661    0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0823   -0.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1124   -1.8610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7685    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7384    1.8622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4848   -0.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1709    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1128   -0.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4266    0.2582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7103   -0.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0242    0.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3079   -0.5699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6217    0.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9054   -0.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2193    0.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2494    1.6014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5030   -0.6743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  6
  7  9  1  0
  9 10  1  6
  9 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
M  END
$$$$
Mol_4105
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -3.6907   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1907   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3090   -1.2135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1175   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4166   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7156   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7156    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4166    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1175    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3090    1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  2  1  0
  9  4  1  0
M  END
$$$$
Mol_4106
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -5.1739   -1.4429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8241   -2.0972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5826   -1.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2328   -1.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0087   -1.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3585   -1.7223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -0.8805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9498   -1.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1913   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0831    0.8031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7333    1.4574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4918    0.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1420    1.2699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0995    0.4281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4493    1.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5575    2.5786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9073    3.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6908    0.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0406    0.8950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 15 18  1  0
 18 19  2  0
 18  3  1  0
 14  5  1  0
 12  7  1  0
M  END
$$$$
Mol_4107
     RDKit          2D

 20 23  0  0  0  0  0  0  0  0999 V2000
    1.4472    2.6719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5510    1.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4014    0.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0538    0.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6149    1.9668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8194    3.2384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1113    1.8630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4750    0.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7999   -0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8530   -1.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5814   -2.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2566   -1.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2034   -0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9626   -1.1791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4590   -1.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5374   -2.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9795   -1.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3432   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2648    0.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8227    0.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
  3 14  2  0
 14 15  1  0
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 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20  2  1  0
 13  4  1  0
 20 15  1  0
 13  8  1  0
M  END
$$$$
Mol_4108
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -4.7305   -2.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6181   -0.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8573    0.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2666   -0.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1542    1.3652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8026    2.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5634    1.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4510    2.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7882    1.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0274    0.9758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3789    1.6264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9150   -0.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -1.3652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5058   -0.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7450   -1.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6181    0.7812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5634   -1.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4510   -2.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6758   -0.3253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0274   -0.9758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 12 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20  4  1  0
 19  7  1  0
M  END
$$$$
Mol_4109
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -4.0434   -1.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6159   -0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6473    0.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1570    0.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7295    1.5901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706    1.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7608    0.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1883    2.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2198    1.1983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2512    0.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7101    0.4579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8237   -1.3286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3648   -1.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9373   -3.1151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3333   -0.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1256   -0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16  4  1  0
 15  7  1  0
M  END
$$$$
Mol_4110
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -7.6683   -3.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3520   -2.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4637   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9241   -1.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6078   -0.4440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8636    1.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9753    2.4886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4356    1.9408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9679    3.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4679    3.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1091    2.9339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5760    2.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9445    1.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4111
     RDKit          2D

 30 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4112
     RDKit          2D

 73 82  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4113
     RDKit          2D

 84 93  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4114
     RDKit          2D

 73 82  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4115
     RDKit          2D

 84 94  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0
  3  4  1  6
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 37 30  1  0
M  END
$$$$
Mol_4116
     RDKit          2D

 20 23  0  0  0  0  0  0  0  0999 V2000
    2.5495    2.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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 20  6  1  0
 20 10  1  0
 20 15  1  0
M  END
$$$$
Mol_4117
     RDKit          2D

 77 86  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  1
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 13  6  1  0
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 67 25  1  0
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M  END
$$$$
Mol_4118
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
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    1.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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  5  9  1  0
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 10  2  1  0
M  END
$$$$
Mol_4119
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
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  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
  8  2  1  0
 10  5  1  0
M  END
$$$$
Mol_4120
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
   -1.7365    4.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4562    3.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4929    1.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9924    1.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0067    1.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7247    0.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2243    0.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9423   -0.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4419   -1.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1608   -2.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5295    0.2281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8465   -0.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1268    0.2916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8831   -1.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2001   -2.7075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2367   -4.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
  3 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
M  END
$$$$
Mol_4121
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -3.8243   -1.5611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5433   -0.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6788    0.8925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9912   -0.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7064    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1230    1.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2585    0.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9774   -0.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1129   -1.5480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5608   -1.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12  6  1  0
M  END
$$$$
Mol_4122
     RDKit          2D

 82 92  0  0  0  0  0  0  0  0999 V2000
    4.3167    2.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9155    2.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6785    0.8587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2773    0.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404   -1.1578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3608   -1.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5251   -0.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4892    0.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9263   -1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0905   -0.3370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4917   -0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7287   -2.3535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.3668   -4.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2026   -5.3159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2941   -1.9431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2304   -1.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1063    2.1717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7790    0.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8380   -0.5127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.6190    2.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3500    2.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8142    3.6961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7512    3.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9882    4.7669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  1
  6  5  1  1
  6  7  1  0
  7  8  1  6
  7  9  1  0
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 11 10  1  6
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 13 14  1  6
 14 15  1  0
 13 16  1  0
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 18 19  1  6
 20 19  1  6
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  1
 23 25  1  0
 25 26  1  6
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 18 29  1  0
 29 30  1  1
 31 30  1  6
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 33 34  1  0
 34 35  1  6
 34 36  1  0
 36 37  1  6
 36 38  1  0
 38 39  1  1
  9 40  1  0
 40 41  1  6
 41 42  1  0
 40 43  1  0
 43 44  1  0
 44 45  1  6
 46 45  1  6
 46 47  1  0
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 48 49  1  0
 49 50  1  6
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 51 52  1  6
 52 53  1  0
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 54 55  1  0
 55 56  1  6
 56 57  1  0
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 58 59  1  6
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 71 72  1  1
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 44  6  1  0
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 29 11  1  0
 38 31  1  0
 55 49  1  0
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 60 54  1  0
 75 62  1  6
 71 64  1  0
M  END
$$$$
Mol_4123
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -1.4162   -0.3566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9729   -1.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9923   -2.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4550   -2.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8983   -1.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8789   -0.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3222    1.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7848    1.7416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2281    3.1746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6419    2.9445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0658    0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3968    0.7438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
  2 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 17 19  1  0
 15 20  1  0
 20 21  1  0
 21 22  1  0
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 23 24  1  0
 11  5  1  0
 23 13  1  0
M  END
$$$$
Mol_4124
     RDKit          2D

 43 45  0  0  0  0  0  0  0  0999 V2000
   13.9290   -2.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9701   -1.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 32  1  0
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 28 26  1  0
 34 26  1  0
M  END
$$$$
Mol_4125
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.2467   -1.6672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5627   -0.2008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
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 23 24  1  6
 11  5  1  0
 23 13  1  0
M  END
$$$$
Mol_4126
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.0410   -1.4186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4986    0.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  5  1  0
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M  END
$$$$
Mol_4127
     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
   -0.1104   -1.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.3687   -0.7791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4128
     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
   -0.1104   -1.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  2  1  0
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 18  2  1  0
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M  END
$$$$
Mol_4129
     RDKit          2D

 40 45  0  0  0  0  0  0  0  0999 V2000
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 31 27  2  0
M  END
$$$$
Mol_4130
     RDKit          2D

 38 42  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4131
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 18 10  1  0
 20  6  1  0
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M  CHG  1  21   1
M  END
$$$$
Mol_4132
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  CHG  1   9   1
M  END
$$$$
Mol_4133
     RDKit          2D

 27 31  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4134
     RDKit          2D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4135
     RDKit          2D

 39 43  0  0  0  0  0  0  0  0999 V2000
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 22  5  1  0
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 38 21  1  0
 36 32  2  0
M  END
$$$$
Mol_4136
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -5.8039    2.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8058    1.2215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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 10 11  2  0
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 19 10  1  0
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M  CHG  1  22   1
M  END
$$$$
Mol_4137
     RDKit          2D

 37 42  0  0  0  0  0  0  0  0999 V2000
   -2.3488   -1.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5405    0.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4138
     RDKit          2D

 37 42  0  0  0  0  0  0  0  0999 V2000
   -2.3488   -1.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5405    0.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4139
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
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   -2.3974    2.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
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  6 10  1  0
 10 11  2  0
 11 12  1  0
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 23 24  1  0
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  8  3  1  0
 23 10  1  0
 25  5  1  0
 21 12  1  0
M  CHG  1  23   1
M  END
$$$$
Mol_4140
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -6.9511    1.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4127   -0.0402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9310   -0.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9389   -0.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3360   -2.8403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
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 20 22  1  0
  6 23  1  0
 23 24  2  0
 24 25  1  0
 24  3  1  0
 20  8  1  0
 17  9  1  0
M  CHG  1  20   1
M  END
$$$$
Mol_4141
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -6.9520    1.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1824    0.1143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6826    0.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4132   -1.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9130   -1.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6433   -2.4608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8737   -3.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1831    0.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5865   -1.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0863   -1.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8559   -2.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3557   -2.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0859   -1.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5858   -0.9916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3164    0.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0466    1.5835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5464    1.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8165    0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0470    1.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5471    1.5153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2225    2.8029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7223    2.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  9 10  1  0
  6 11  1  0
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 23 24  1  0
 24 25  1  0
  8  3  1  0
 23 11  1  0
 25  5  1  0
 21 13  1  0
M  CHG  1  23   1
M  END
$$$$
Mol_4142
     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -3.8533    3.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5676    2.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1495    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0171    2.5787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4010    2.0899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7132    2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8099    1.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1755    0.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5411   -0.9252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0686   -1.2109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.9486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -1.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3681   -1.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5005   -0.7269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2148    0.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7967    1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6643    0.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6867    0.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4456   -0.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8638    0.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9962   -0.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4143   -0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7000    1.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8428   -3.3175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5571   -4.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 20  3  1  0
 18  5  1  0
 17  8  1  0
 17 12  1  0
M  END
$$$$
Mol_4143
     RDKit          2D

 34 39  0  0  0  0  0  0  0  0999 V2000
   -5.2564   -2.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3189   -0.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7840   -1.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5145    1.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0568   -0.2164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9723    0.9719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4009    2.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8877    2.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31  6  1  0
 33  6  1  0
 29  9  1  0
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M  END
$$$$
Mol_4144
     RDKit          2D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -4.6413    1.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  2  0
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 10 11  1  0
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 19  3  1  0
 17  5  1  0
 16  8  1  0
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M  END
$$$$
Mol_4145
     RDKit          2D

 23 27  0  0  0  0  0  0  0  0999 V2000
   -6.1084   -2.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1033   -1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6365   -1.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6313   -0.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1645   -1.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1593    0.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6209    1.4680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0877    1.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5493    3.2090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0929    0.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5597    0.9823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5649   -0.1311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3843    2.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8511    2.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3127    0.8404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3075   -0.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0558   -1.5731    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5234   -1.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7358   -2.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1069   -1.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2657   -0.0466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0533    0.8367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6822    0.2284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
  7 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 12  2  1  0
 23 15  1  0
 10  4  2  0
 23 18  1  0
 16  6  1  0
M  END
$$$$
Mol_4146
     RDKit          2D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -4.1226    3.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7976    1.9084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3669    1.4577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2612    2.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1695    2.0207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2751    3.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7058    2.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0308    1.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9252    0.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5476   -1.2592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0379   -1.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1616   -2.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5839   -1.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8826   -0.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7589    0.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3366    0.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4945    0.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6112   -0.4574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0419   -0.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1475   -1.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5782   -0.5696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9032    0.8947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3339    1.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8225   -2.4847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3918   -2.9354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9281   -3.4984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6031   -4.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
  9 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 20 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 19  3  1  0
 17  5  1  0
 16  8  1  0
 16 11  1  0
M  END
$$$$
Mol_4147
     RDKit          2D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -4.1226    3.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7976    1.9084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3669    1.4577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2612    2.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1695    2.0207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2751    3.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7058    2.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0308    1.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9252    0.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5476   -1.2592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0379   -1.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1616   -2.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5839   -1.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8826   -0.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7589    0.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3366    0.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4945    0.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6112   -0.4574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0419   -0.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1475   -1.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5782   -0.5696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9032    0.8947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3339    1.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8225   -2.4847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3918   -2.9354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9281   -3.4984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6031   -4.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
  9 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 20 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 19  3  1  0
 17  5  1  0
 16  8  1  0
 16 11  1  0
M  END
$$$$
Mol_4148
     RDKit          2D

 22 27  0  0  0  0  0  0  0  0999 V2000
    5.9680   -0.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0235    0.8964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5421    0.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0051   -0.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5237   -0.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9868   -2.3755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3230   -1.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0877   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    0.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9022   -0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8467    1.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3282    0.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8651   -0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9205   -1.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4391   -1.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4946   -2.6109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3630   -0.4378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7519    1.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4943    1.8284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1161    1.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6530    2.9916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5975    1.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 13 17  1  0
 17 18  1  0
 18 19  1  0
  9 20  1  0
 20 21  1  0
 21 22  1  0
 22  3  1  0
  9  5  1  0
 15 10  1  0
 22 20  1  0
 16  6  1  0
 19 12  1  0
M  END
$$$$
Mol_4149
     RDKit          2D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -4.2109    3.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8232    1.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3745    1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3134    2.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1353    1.9266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3937    2.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5590    1.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0209    0.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4828   -1.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0338   -1.3893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6481   -1.9461    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9065   -1.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3552   -1.5184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4163   -0.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0286    0.9908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5799    1.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5188    0.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    0.4776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5381   -0.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9868   -0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0479   -1.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4966   -0.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8843    0.5837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3330    0.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6602   -2.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2115   -3.0920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7213   -3.7634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
  8 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 21 25  1  0
 25 26  2  0
 25 27  1  0
 20  3  1  0
 18  5  1  0
 17  8  1  0
 17 12  1  0
M  END
$$$$
Mol_4150
     RDKit          2D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -5.3574   -2.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8673   -2.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9735   -1.1443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -1.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5895   -0.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9007   -0.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7701   -1.5057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2012   -1.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4927   -1.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7992   -1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8143    0.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5229    1.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2164    0.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7945    0.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1983    2.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2919    2.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1857    1.2648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6759    1.4366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5697    0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0598    0.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6561    1.7803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
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 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 19  3  1  0
 17  5  1  0
 14  6  2  0
 13  8  1  0
M  END
$$$$
Mol_4151
     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -3.8533    3.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5676    2.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1495    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4152
     RDKit          2D

 25 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4153
     RDKit          2D

 46 51  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4154
     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4155
     RDKit          2D

 21 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4156
     RDKit          2D

 47 52  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4157
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -3.9987    3.8990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17  5  1  0
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M  END
$$$$
Mol_4158
     RDKit          2D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4159
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4160
     RDKit          2D

 28 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4161
     RDKit          2D

 14 16  0  0  0  0  0  0  0  0999 V2000
   -3.2269   -2.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5779   -0.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4246    0.4940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7756    1.8464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2799    1.9605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0823   -0.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0033   -1.6652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3233   -0.9526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7360   -1.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8789   -0.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6091    0.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1964    1.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0534    0.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  7  2  1  0
 14  9  1  0
 14  6  1  0
M  END
$$$$
Mol_4162
     RDKit          2D

 39 40  0  0  0  0  0  0  0  0999 V2000
   -6.0622   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7631   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4641   -6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7631   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4641   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4641   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7631   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7631    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0622    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0622    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3612    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7631    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4641    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1651    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1651   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4330   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0311   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9282   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0311    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9282    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0311    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0311    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4330    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1651    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4330    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
  8 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 19 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 25 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 32 34  2  0
 30 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  2  0
 15  6  1  0
 35 17  1  0
M  END
$$$$
Mol_4163
     RDKit          2D

 36 40  0  0  0  0  0  0  0  0999 V2000
   -6.3053   -2.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5166   -1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2273   -0.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4387    0.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9394    0.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6500    2.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1494    2.2592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8614    3.4902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1507    2.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6514    2.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9407    0.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2300   -0.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7294   -0.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0187   -1.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4807   -1.8387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2693   -0.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7686   -0.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9800   -1.8837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4793   -1.9287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9786   -1.9737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6893   -3.2947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7673   -0.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2666   -0.7428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0566    0.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8406    2.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4809    1.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7856    2.5624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5573    0.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8466    1.9892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3473    2.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5586    0.7582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1521    2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2287   -0.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0173   -1.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6238   -2.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3220   -3.1724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
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 29 30  1  0
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 31 32  1  0
 13 33  1  0
 33 34  1  0
 34 35  1  0
 34 36  1  0
 34  2  1  0
 33  5  1  0
 31 11  1  0
 31 16  1  0
 28 17  1  0
M  END
$$$$
Mol_4164
     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -6.6642    2.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1642    2.5016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4199    1.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9200    1.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1757   -0.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6757   -0.1164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2006   -1.3338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -0.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9249   -1.6323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9183   -3.1323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2140   -3.8880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2273   -0.8881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2339    0.6119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5362    1.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8319    0.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1343    1.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4300    0.5889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9382    1.3677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6358    0.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2113    1.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2459    2.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7117    2.8402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9314   -1.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4314   -1.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1872   -2.6945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6872   -2.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1757   -0.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6757   -0.0898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 13 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
  5 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 24 27  2  0
 27 28  1  0
 27  3  1  0
 20  6  1  0
 19  8  1  0
M  END
$$$$
Mol_4165
     RDKit          2D

 58 63  0  0  0  0  0  0  0  0999 V2000
   15.3918    1.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1034    0.1358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6844   -0.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5538    0.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1348    0.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042    1.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2927    2.6071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5852    0.6489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2967   -0.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4273   -1.8089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4546    1.6347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0356    1.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9050    2.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1935    3.6063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4860    1.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1976    0.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4349    1.9473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4166
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 20  8  1  0
M  END
$$$$
Mol_4167
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4168
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4169
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4170
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
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  8 10  1  0
 10 11  2  0
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 22  3  1  0
 21  7  1  0
 19 10  1  0
M  END
$$$$
Mol_4171
     RDKit          2D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -7.0361    0.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.6405   -1.8290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
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 16 17  2  0
 13 18  1  0
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 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
  5 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 28  3  1  0
 20  6  1  0
 19  8  1  0
M  END
$$$$
Mol_4172
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    3.0676   -3.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -1.7785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.7570   -0.1284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0787    2.9574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1477    0.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5148    1.2066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  5 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  2  0
 14 15  1  0
 14  3  1  0
M  END
$$$$
Mol_4173
     RDKit          2D

 27 30  0  0  0  0  0  0  0  0999 V2000
    6.1939   -3.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6668   -1.7659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6704   -0.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2048    0.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1165   -1.4941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6125    1.0811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  6  7  1  0
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  9 10  1  0
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 17 18  1  0
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 11 21  1  0
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 24 25  1  0
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 23  6  1  0
 23  9  1  0
 20 12  1  0
M  END
$$$$
Mol_4174
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
    3.5076    4.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2781    3.6799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4073    2.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1777    1.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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 24 11  2  0
 19 14  1  0
 22 17  1  0
M  END
$$$$
Mol_4175
     RDKit          2D

 27 30  0  0  0  0  0  0  0  0999 V2000
   10.3906    0.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1106    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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M  END
$$$$
Mol_4176
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4177
     RDKit          2D

 42 45  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4178
     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4179
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.0109   -1.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  1  24   1
M  END
$$$$
Mol_4180
     RDKit          2D

 47 52  0  0  0  0  0  0  0  0999 V2000
  -13.2735    1.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4181
     RDKit          2D

 48 54  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4182
     RDKit          2D

 49 54  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4183
     RDKit          2D

 48 54  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4184
     RDKit          2D

 14 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4185
     RDKit          2D

 47 53  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4186
     RDKit          2D

 47 53  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4187
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4188
     RDKit          2D

 47 48  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4189
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4190
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.2560   -3.1335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  2  3  1  0
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 12  5  1  0
 22 15  1  0
M  END
$$$$
Mol_4191
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4192
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4193
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4194
     RDKit          2D

 48 47  0  0  0  0  0  0  0  0999 V2000
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  -19.1885    2.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.2216    3.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.6799    2.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -24.1714    3.6752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -25.2045    4.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  6
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 17 18  1  1
 17 19  1  0
 19 20  1  6
 20 21  1  0
 19 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  1
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
M  END
$$$$
Mol_4195
     RDKit          2D

 47 48  0  0  0  0  0  0  0  0999 V2000
  -18.7023   -1.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2144   -1.2496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -14.2385   -0.8698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -13.0795    1.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4999    3.2808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0120    3.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1036    2.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6157    2.4670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7072    1.2733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2193    1.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3109    0.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8230    0.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9145   -0.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1479    3.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6359    3.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5443    2.5483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2395    4.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8190    6.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7516    4.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8432    5.7494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1721    3.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6841    2.9823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7383   -3.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2262   -2.9859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1588   -4.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0672   -5.7529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6708   -4.7492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0913   -6.1327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  6
 22 24  1  0
 24 25  1  0
 26 25  1  6
 26 27  1  0
 27 28  1  0
 28 29  1  6
 29 30  1  0
 31 30  1  6
 31 32  1  0
 32 33  1  0
 33 34  1  1
 34 35  1  0
 33 36  1  0
 36 37  1  1
 36 38  1  0
 38 39  1  1
 38 40  1  0
 40 41  1  6
 28 42  1  0
 42 43  1  6
 42 44  1  0
 44 45  1  6
 44 46  1  0
 46 47  1  1
 46 26  1  0
 40 31  1  0
M  END
$$$$
Mol_4196
     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -2.5507    3.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5703    1.6025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7952    0.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2157    1.2188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3504   -0.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8505   -0.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6486   -1.6128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2037   -3.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6858   -4.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2962   -3.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5211   -2.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0762   -0.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5583    0.6538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7832    1.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6459    3.0133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1455    0.8916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3564    1.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3684    0.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 13 17  1  0
 17 18  1  0
 18 19  1  0
 19  2  1  0
 19  6  1  0
M  END
$$$$
Mol_4197
     RDKit          2D

 27 31  0  0  0  0  0  0  0  0999 V2000
   -4.0112   -4.5399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2244   -3.0551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0451   -2.1281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6527   -2.6859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2582   -0.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6507   -0.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8638    1.3993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6845    2.3262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8977    3.8110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2921    1.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1128    2.6954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2796    2.1376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6259    2.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6710    1.7232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9707    0.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2704   -0.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2143   -1.1429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3156   -2.0057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6619   -1.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0543   -1.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2336   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0204    0.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6280    1.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4487    0.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4928    0.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6865   -0.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0789    0.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
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 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
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 22 23  1  0
 23 24  2  0
 15 25  1  0
 25 26  1  0
 26 27  1  0
 27  5  1  0
 27 10  1  0
 25 12  1  0
 24 15  1  0
 24 19  1  0
M  END
$$$$
Mol_4198
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
   -6.1467   -2.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3179   -1.6043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9861   -0.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1573    0.9888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6601    0.8961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3284    2.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8255    2.3317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4995    3.4892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8312    2.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3341    2.0535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6659    0.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024   -0.6323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4947   -0.5396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8265   -1.8825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6707   -1.9752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4995   -0.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9967   -0.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1678   -2.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6649   -2.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1620   -2.2534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9909   -1.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4880   -1.0960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1540    1.8302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8255    0.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1573    1.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9862    3.0255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6601    1.8681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8313    0.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1630    1.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9919   -0.4469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8207   -1.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4456   -2.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1720   -3.1553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 30 31  1  0
 13 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 33  2  1  0
 32  5  1  0
 30 11  1  0
 30 16  1  0
 26 17  1  0
M  END
$$$$
Mol_4199
     RDKit          2D

 24 23  0  0  0  0  0  0  0  0999 V2000
   12.5599    3.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0902    3.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6154    2.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1458    1.7577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6709    0.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2013    0.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2568   -1.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 22 23  2  0
 22 24  1  0
M  END
$$$$
Mol_4200
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
    8.9127    0.4401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6300   -0.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  8  9  1  0
  9 10  1  0
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 13 14  2  0
 13 15  1  0
M  END
$$$$
Mol_4201
     RDKit          2D

 28 32  0  0  0  0  0  0  0  0999 V2000
   -3.8081   -2.6841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4613   -2.0235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0897    0.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9529    2.9518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9139    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6126    0.3306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6624    1.3963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 10 11  1  0
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 22  3  1  0
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 28 22  1  0
 20  9  1  0
 17 11  1  0
M  END
$$$$
Mol_4202
     RDKit          2D

 27 31  0  0  0  0  0  0  0  0999 V2000
    4.0481   -3.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2818   -2.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5491   -0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  9 10  1  0
 10 11  1  0
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 25 26  1  0
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 26  3  1  0
 27  4  1  0
 27  9  1  0
 17 11  1  0
 26 20  1  0
M  END
$$$$
Mol_4203
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
  -13.5269   -0.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2169    0.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.3313   -0.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1632    0.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4510   -0.6280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4204
     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
    6.4160    1.6881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0
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 20 14  1  0
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M  END
$$$$
Mol_4205
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4206
     RDKit          2D

 39 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4207
     RDKit          2D

 61 66  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4208
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4209
     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_4210
     RDKit          2D

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M  END
$$$$
Mol_4211
     RDKit          2D

 62 67  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_4212
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_4213
     RDKit          2D

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M  END
$$$$
Mol_4214
     RDKit          2D

 47 50  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4215
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4216
     RDKit          2D

 35 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4217
     RDKit          2D

 70 76  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_4218
     RDKit          2D

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$$$$
Mol_4219
     RDKit          2D

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$$$$
Mol_4220
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4221
     RDKit          2D

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M  END
$$$$
Mol_4222
     RDKit          2D

 27 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4223
     RDKit          2D

 62 67  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4224
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4225
     RDKit          2D

 26 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4226
     RDKit          2D

 33 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4227
     RDKit          2D

 33 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4228
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4229
     RDKit          2D

 62 67  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4230
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4231
     RDKit          2D

 59 64  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4232
     RDKit          2D

 35 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4233
     RDKit          2D

 24 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4234
     RDKit          2D

 28 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4235
     RDKit          2D

 57 61  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4236
     RDKit          2D

 27 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4237
     RDKit          2D

 34 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4238
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
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 15  8  1  0
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M  END
$$$$
Mol_4239
     RDKit          2D

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M  END
$$$$
Mol_4240
     RDKit          2D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4241
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4242
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4243
     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4244
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4245
     RDKit          2D

 26 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4246
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4247
     RDKit          2D

 27 33  0  0  0  0  0  0  0  0999 V2000
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    3.8807    1.9054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4248
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.5981   -0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0000   -2.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  8  2  2  0
M  END
$$$$
Mol_4249
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -2.0318    2.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2505    0.9290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6450    0.3764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6021    2.7918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5386    2.0341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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M  END
$$$$
Mol_4250
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -7.0636    1.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5991    0.4326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6613    0.9261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2024   -2.5484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6673   -1.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22  3  1  0
 19  7  1  0
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M  END
$$$$
Mol_4251
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -4.7980   -0.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3148   -0.1493    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7668    1.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5870   -0.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5222   -2.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1350    0.5214    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1997    1.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 14  8  1  0
 15  4  1  0
M  END
$$$$
Mol_4252
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -7.1620    0.9043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2918   -0.3175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 19 11  1  0
M  END
$$$$
Mol_4253
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4254
     RDKit          2D

 22 26  0  0  0  0  0  0  0  0999 V2000
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   -5.5489    1.3597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
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 19  2  1  0
 10  4  1  0
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 22 15  1  0
M  END
$$$$
Mol_4255
     RDKit          2D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4256
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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M  END
$$$$
Mol_4257
     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.6153   -2.1317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 22 15  1  0
M  END
$$$$
Mol_4258
     RDKit          2D

 18 21  0  0  0  0  0  0  0  0999 V2000
   -3.6026   -2.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4259
     RDKit          2D

 65 72  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4260
     RDKit          2D

 21 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4261
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4262
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4263
     RDKit          2D

 20 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4264
     RDKit          2D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4265
     RDKit          2D

 55 61  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4266
     RDKit          2D

 32 37  0  0  0  0  0  0  0  0999 V2000
    3.5358   -3.6228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4267
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4268
     RDKit          2D

 32 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4269
     RDKit          2D

 22 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4270
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4271
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4272
     RDKit          2D

 66 73  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4273
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4274
     RDKit          2D

 39 41  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
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 29 10  1  0
 38 31  1  0
M  END
$$$$
Mol_4275
     RDKit          2D

 56 62  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4276
     RDKit          2D

 18 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4277
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4278
     RDKit          2D

 55 61  0  0  0  0  0  0  0  0999 V2000
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 44 35  1  0
M  END
$$$$
Mol_4279
     RDKit          2D

 65 72  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4280
     RDKit          2D

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M  END
$$$$
Mol_4281
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4282
     RDKit          2D

 41 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4283
     RDKit          2D

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M  END
$$$$
Mol_4284
     RDKit          2D

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M  END
$$$$
Mol_4285
     RDKit          2D

 66 73  0  0  0  0  0  0  0  0999 V2000
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 47 29  1  0
 43 35  1  0
M  END
$$$$
Mol_4286
     RDKit          2D

 30 31  0  0  0  0  0  0  0  0999 V2000
   11.3488   -2.6670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4624   -1.1713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2238   -0.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0989    2.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3374    1.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6895    1.8201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 27 28  1  0
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 29 30  1  0
 29  3  1  0
 26 20  1  0
M  END
$$$$
Mol_4287
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -7.4268    0.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4281    1.1319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7940    1.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
M  END
$$$$
Mol_4288
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -4.7932   -0.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4424    0.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9799   -0.8049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3306   -0.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
M  END
$$$$
Mol_4289
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
  -13.4081    0.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1001   -0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9730    0.5626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2809   -0.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5708    0.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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 20 21  1  0
 21 22  1  0
M  END
$$$$
Mol_4290
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
    5.7922   -3.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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M  END
$$$$
Mol_4291
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
    8.4395    0.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1482   -0.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2436    0.4081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9676   -1.8551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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M  END
$$$$
Mol_4292
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    6.2632    0.5789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0
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 10 11  1  0
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M  END
$$$$
Mol_4293
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
    6.5619    0.7459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8112    0.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9023    1.6122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0623   -0.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4045   -0.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
M  END
$$$$
Mol_4294
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -6.4952   -0.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    0.6923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -1.5577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -1.5577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.6923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952   -0.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
M  END
$$$$
Mol_4295
     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    6.4831   -1.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1575   -0.7198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8868   -1.5168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5612   -0.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5064    0.6842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2904   -1.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0351   -0.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3059   -1.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6315   -1.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9022   -1.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2278   -1.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2826    0.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0119    1.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6863    0.4942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0900    0.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4156    1.2912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1808    1.3862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1260    2.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3967    3.6822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  7 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 14  9  1  0
M  END
$$$$
Mol_4296
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
    6.5079    1.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6779    0.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1809    0.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3509   -0.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8539   -0.3953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0239   -1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4731   -1.5508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3031   -2.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1402   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6373   -0.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4672   -1.3628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3044    1.2302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8014    1.3242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4685    2.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
M  END
$$$$
Mol_4297
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -7.8292    2.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8039    0.5046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4923   -0.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2062    0.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8946   -0.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6085    0.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2969   -0.1356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0108    0.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3008   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5870    0.6802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8985   -0.0478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1847    0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4962   -0.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5215   -1.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8330   -2.2316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8584   -3.7314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1192   -1.4598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0939    0.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3801    0.8118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7824    0.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5616    2.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2501    2.9079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0361    2.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3476    2.8640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6338    2.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9453    2.8201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9707    4.3199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8693   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1555   -2.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1301   -3.9509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4163   -4.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4670   -1.7231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7532   -2.4950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
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 17 18  1  0
 18 19  1  0
 18 20  2  0
 10 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
  5 28  2  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 29 32  2  0
 32 33  1  0
 32  3  1  0
 25  6  1  0
 23  8  1  0
 20 13  1  0
M  END
$$$$
Mol_4298
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
    5.3508   -0.5082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8553   -0.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0064   -1.6281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5110   -1.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6621   -2.7479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8644   -0.1577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6310   -0.0409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6045   -1.1821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9907   -0.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2692   -1.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5878   -0.6783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8738    0.8866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0150    1.8601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4155    1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8423    2.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7133    1.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2088    0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0577    2.1988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
  6 16  1  0
 16 17  2  0
 17 18  1  0
 17  2  1  0
 14  7  1  0
M  END
$$$$
Mol_4299
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -0.3242   -1.8499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0195   -0.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4558    0.0426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5484   -0.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9847   -0.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0774   -1.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5137   -1.1479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8574    0.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2937    0.7447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7647    1.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1084    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3284    0.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0732    0.6378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5095    0.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6022    1.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0385    0.8006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1311    1.8283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5675    1.3959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7875    3.2884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3821   -0.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2895   -1.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6331   -3.1472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8532   -1.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7605   -2.2824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
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  2 13  1  0
 13 14  1  0
 14 15  1  0
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 16 20  2  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 12  5  1  0
 23 14  1  0
M  END
$$$$
Mol_4300
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -4.9664   -3.0594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5996   -2.4416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4512   -0.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6697   -0.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0365   -0.6919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5213    1.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1544    2.0363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9359    1.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5691    1.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4207    3.2720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6494    0.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0163    1.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2347    0.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0863   -0.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3048   -1.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6717   -1.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8901   -1.9770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8201    0.3904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6016    1.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0843   -0.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8659   -1.2060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
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  9 10  2  0
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 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
  8 20  2  0
 20 21  1  0
 20  3  1  0
 19 13  1  0
M  END
$$$$
Mol_4301
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -6.7024    1.7185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1304    0.3318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6436    0.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7286    1.3224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2418    1.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6698   -0.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5848   -1.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0129   -2.8376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0717   -1.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9866   -2.4415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830   -0.4603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3889   -1.8470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7320    0.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7437   -0.3791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9983    1.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3277    0.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3909   -0.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7204   -1.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9867   -0.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3161   -1.2462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9235    0.9471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5941    1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1601    2.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3268    2.3130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
  6 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 13 23  1  0
 23 24  1  0
  9  3  1  0
 22 16  1  0
 24  5  1  0
M  END
$$$$
Mol_4302
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -7.1531    0.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8032    0.7969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5618   -0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6704   -1.5412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2120    0.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9706   -0.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6207    0.4210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207   -0.4210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9706    0.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2120   -0.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5618    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6704    1.5412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8032   -0.7969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1531   -0.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
M  END
$$$$
Mol_4303
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    6.3757    0.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1160   -0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7809    0.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5212   -0.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1861    0.1223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0736   -0.6921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087   -0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4840    1.4898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6684   -0.8226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0034   -0.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2632   -0.9532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0788    1.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
M  END
$$$$
Mol_4304
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.8112   -0.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4985    0.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2136   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9009    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6159   -0.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3033    0.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0183   -0.3718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7056    0.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4207   -0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1080    0.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1770   -0.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4896    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7746   -0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0873    0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3722   -0.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6849    0.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9699   -0.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2825    0.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3102    1.6142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5675   -0.6594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8802    0.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
M  END
$$$$
Mol_4305
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -4.4564   -2.7045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8424   -1.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7206   -0.1199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1066    1.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9849    2.4647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6144    1.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7362    0.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2440    0.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6343   -0.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1265   -0.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0047   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4969   -1.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1109   -0.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2327    0.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8467    2.1640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7405    0.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8623    1.8589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3502   -1.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
  7 18  2  0
 18  2  1  0
 16 10  1  0
M  END
$$$$
Mol_4306
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -8.0812   -0.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7661    0.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4837   -0.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1687    0.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8863   -0.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5712    0.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2888   -0.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263    0.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3087   -0.5326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6237    0.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6564    1.6886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9061   -0.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2212    0.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5036   -0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
M  END
$$$$
Mol_4307
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
    9.7282    0.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4510   -0.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1311    0.5781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8540   -0.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8966   -1.7079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5341    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2569   -0.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9371    0.4303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6599   -0.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6599    0.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9371   -0.4303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2569    0.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5341   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8540    0.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8966    1.7079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1311   -0.5781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4510    0.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7282   -0.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
M  END
$$$$
Mol_4308
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -6.2531   -2.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7846   -2.4785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7855   -1.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2548    0.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2556    1.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7249    2.6084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7871    0.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3178   -0.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3170   -1.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1507   -0.8528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1498    0.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6183   -0.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0876   -1.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5561   -1.7706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5552   -0.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0237   -0.9578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0860    0.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6175    1.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6806    1.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7879    1.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2572    3.4213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
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 13 14  1  0
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 15 16  1  0
 15 17  1  0
 17 18  2  0
 11 19  1  0
 19 20  1  0
 20 21  2  0
  9  3  1  0
 18 12  1  0
 20  7  1  0
M  END
$$$$
Mol_4309
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
   10.8189    0.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5339   -0.3245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2212    0.4015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9362   -0.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6236    0.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3386   -0.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0260    0.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7410   -0.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4283    0.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8567   -0.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1693    0.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4543   -0.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7669    0.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0519   -0.6116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3646    0.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.6496   -0.6594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4310
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
   -7.3084    1.7593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4311
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -1.8624   -3.5952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1124   -2.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4312
     RDKit          2D

 36 40  0  0  0  0  0  0  0  0999 V2000
   -2.3052   -5.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4313
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.7935    3.2137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5153    1.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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 12  5  1  0
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M  END
$$$$
Mol_4314
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4315
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
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    3.9527    0.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2546    1.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6565    1.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6622    3.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 13  3  1  0
 24 15  1  0
M  END
$$$$
Mol_4316
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -3.5588   -3.4261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5239   -1.9265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2077   -1.2070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1728    0.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8567    1.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4246    0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3896   -1.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9265   -1.9870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6709   -2.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6359   -3.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3198   -4.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9172   -4.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2333   -3.6076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5145   -4.3876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2682   -2.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9870   -1.3280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0219    0.1716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7407    0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7756    2.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0918    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1267    4.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8455    5.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8804    6.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5293    4.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4944    3.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4540    1.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4191    2.5722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7702    0.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0514    1.1331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8051   -1.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1213   -1.8661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
  4 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30  2  1  0
 18  6  1  0
 25 19  1  0
 16  9  1  0
M  END
$$$$
Mol_4317
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.7942    0.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2856   -0.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8093   -0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3007   -2.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1586    0.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    1.8226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6349    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6028    1.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1435   -1.2648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
M  END
$$$$
Mol_4318
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
   12.8425    0.8859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6071    0.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2526    0.6797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0172   -0.1711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6627    0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4273   -0.3773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0729    0.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8375   -0.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4830    0.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2476   -0.7898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1069   -0.1453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3423   -0.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6968   -0.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9322   -1.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2867   -0.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5221   -1.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8765   -0.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1119   -1.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9956    0.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7602    1.5820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3501    1.3757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4692    2.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
M  END
$$$$
Mol_4319
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
   12.1405    0.4506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8532   -0.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5427    0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2555   -0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9450    0.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6577   -0.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3472    0.3299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0599   -0.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7494    0.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4622   -0.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8483    0.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1356   -0.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4461    0.2092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7334   -0.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0439    0.1689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3311   -0.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6416    0.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6649    1.6285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9289   -0.6413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2394    0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
M  END
$$$$
Mol_4320
     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -1.8412   -1.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4643   -0.1669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0185    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0504   -0.8196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4962   -0.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8730    1.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3188    1.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3878    0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8336    0.7789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0110   -1.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5652   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    0.8854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9791    0.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0481    1.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4939    1.1384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3559   -0.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8017   -1.3657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
  2 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 11  5  1  0
M  END
$$$$
Mol_4321
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.4520    3.1548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2493    1.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0722    0.9590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4231    1.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6632    0.7672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0141    1.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2542    0.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1435   -0.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3836   -1.7643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7926   -1.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5525   -0.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1943   -0.5172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6805   -0.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5244   -1.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0203   -1.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8641   -3.0894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6723   -0.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8285    0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4806    2.0925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3326    0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
  3 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
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 15 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20  2  1  0
 11  5  1  0
 20 13  1  0
M  END
$$$$
Mol_4322
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -0.6201   -2.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7904   -2.4005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0534   -0.9238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -1.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4466   -0.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1943    0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6943    0.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4466   -0.9158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4420    1.6822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4420    1.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0580    1.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8103    2.9720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8057    0.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3057    0.3713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  6 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 13  3  1  0
M  END
$$$$
Mol_4323
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -1.2990   -2.7857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -1.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    1.7143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    1.7143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -1.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -2.7857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
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 14  2  1  0
 14  7  1  0
M  END
$$$$
Mol_4324
     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
   -9.0933   -0.5735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942    0.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1962    0.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.5735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7942    0.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933   -0.5735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
M  END
$$$$
Mol_4325
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -5.8732   -2.1585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3885   -1.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6226    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0655   -1.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9930   -2.4818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4359   -3.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0488   -4.0884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3635   -5.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6644    1.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2940    4.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.2436    0.4130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
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 19 20  2  0
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 22 23  1  0
 22 24  1  0
 24 25  2  0
  5 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30  3  1  0
 18  7  1  0
 25 19  1  0
 16  9  1  0
M  END
$$$$
Mol_4326
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.8112    0.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4985   -0.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2136    0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.6159    0.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3033   -0.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0183    0.3718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7056   -0.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4207    0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1080   -0.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1770    0.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4896   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7746    0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2825   -0.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3102   -1.6142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5675    0.6594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8802   -0.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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  9 10  1  0
 10 11  1  0
 11 12  2  0
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 13 14  1  0
 14 15  1  0
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 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
M  END
$$$$
Mol_4327
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
   10.9131    2.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4181    2.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7769    1.3410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2819    1.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6407   -0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1457   -0.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5045   -1.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0095   -1.7392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3682   -3.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8733   -3.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0195   -1.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4754   -2.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.0266    1.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3854    2.7034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5216    1.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1628   -0.1313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3753    2.4581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 19 20  2  0
 19 21  1  0
M  END
$$$$
Mol_4328
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -11.4063   -2.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4599   -1.3904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9788   -1.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0324   -0.4645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5513   -0.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1238    0.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6964    1.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7311    2.0754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6776    3.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1586    3.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1742    1.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2054   -1.9166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7400   -3.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 18 20  1  0
 20 21  1  0
M  END
$$$$
Mol_4329
     RDKit          2D

 24 23  0  0  0  0  0  0  0  0999 V2000
  -14.8350   -0.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
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M  END
$$$$
Mol_4330
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
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    6.9159    0.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5131    0.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5518    1.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7924   -0.6535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1103    0.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
M  END
$$$$
Mol_4331
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.6201   -0.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3192    0.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5250    0.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2278   -0.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6712    0.3887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1608   -1.8773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4691    1.8694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7625   -0.3838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
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 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 19 21  1  0
M  END
$$$$
Mol_4332
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
  -12.5825   -0.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2646    0.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9853   -0.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.3881   -0.1845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0702    0.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7909   -0.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8296   -1.7510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4730    0.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1937   -0.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4035   -0.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5518    1.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7924   -0.6535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1103    0.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
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 13 14  1  0
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 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
M  END
$$$$
Mol_4333
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
   10.6617    2.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1642    2.6131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4906    1.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9931    1.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3195   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8220   -0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1484   -1.5813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6510   -1.6681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9774   -3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4799   -3.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3440   -1.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.8057    1.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.6296    2.8251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 10 11  1  0
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 13 14  1  0
 14 15  1  0
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 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
M  END
$$$$
Mol_4334
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
   10.8793    3.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4276    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0286    1.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5768    0.9474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7261   -0.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3272   -2.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8754   -2.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8227   -1.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3709   -2.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3182   -0.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.0460   -0.6902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6998    1.8243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1515    1.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  8  9  1  0
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 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
M  END
$$$$
Mol_4335
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.0058    0.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6884   -0.6608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.8113    0.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2140    0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2516    1.7512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8966   -0.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7723    0.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0897   -0.1402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1273   -1.6397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3695    0.6421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
M  END
$$$$
Mol_4336
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
   10.3868    3.0041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9275    2.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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 17 18  1  0
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 18 20  1  0
M  END
$$$$
Mol_4337
     RDKit          2D

 39 43  0  0  0  0  0  0  0  0999 V2000
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    4.3701   -0.7150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 15 21  1  0
 21 22  1  0
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 22 28  1  0
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 29 30  1  0
 30 31  1  0
 31 32  1  0
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 33 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 37 39  1  0
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 18 11  1  0
 39 31  1  0
 19  7  1  0
 29 14  1  0
M  END
$$$$
Mol_4338
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.0058   -0.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0897    0.1402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1273    1.6397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3695   -0.6421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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 16 17  1  0
 17 18  1  0
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 19 20  2  0
 19 21  1  0
M  END
$$$$
Mol_4339
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -5.6715    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4586   -0.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0878    0.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9299    1.6300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8749   -0.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5042   -0.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3463    1.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245    1.9656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2374    1.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    1.6921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8210    0.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0795   -0.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2923   -1.2912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1345   -2.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7087   -1.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
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  8  9  1  0
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 10 11  1  0
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 13 16  2  0
 16  7  1  0
M  END
$$$$
Mol_4340
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -4.3243   -2.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8263   -2.4864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9121    4.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5307    0.4926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -1.0737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  3  4  2  0
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  6  9  1  0
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 10 11  1  0
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 12 14  2  0
  9 15  2  0
 15  3  1  0
M  END
$$$$
Mol_4341
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -6.5344    0.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7576   -0.7413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2579   -0.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1871    1.9811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9639    0.6980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4636    0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1864    2.0436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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  4  5  1  0
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  6  7  2  3
  7  8  1  0
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 16 11  1  0
M  END
$$$$
Mol_4342
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.7844   -1.6532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2264   -0.2608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1104    2.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  2  0
 12 13  1  0
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M  END
$$$$
Mol_4343
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.7953   -1.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2182    0.0084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0120    1.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
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  9 10  2  0
  9  3  1  0
M  END
$$$$
Mol_4344
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.3474    0.4987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9747   -0.1061    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5167    1.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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  2  4  1  0
  4  5  1  0
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  8  2  1  0
M  END
$$$$
Mol_4345
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -3.6495    3.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  2  0
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 20  3  1  0
 19  7  1  0
 18 10  1  0
M  END
$$$$
Mol_4346
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
    1.4944    1.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9337    0.0239    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3250   -0.5368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0300    0.2207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  2  5  2  0
  5  6  1  0
  6  7  2  0
M  END
$$$$
Mol_4347
     RDKit          2D

 48 47  0  0  0  0  0  0  0  0999 V2000
   29.8752    0.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5814   -0.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.4831    0.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.8851    0.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3953   -0.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -21.3442    1.4312    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  -22.6484    2.1721    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  -24.1302   -0.4364    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
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 13 14  1  0
 14 15  1  0
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 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
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 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
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 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
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 38 39  1  0
 39 40  1  0
 40 41  2  0
 40 42  1  0
 42 43  1  0
 42 44  1  0
 42 45  1  0
 45 46  1  0
 45 47  1  0
 45 48  1  0
M  END
$$$$
Mol_4348
     RDKit          2D

 28 27  0  0  0  0  0  0  0  0999 V2000
  -17.5378   -0.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2371    0.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9397   -0.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6390    0.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3417   -0.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0410    0.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7436   -0.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4429    0.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1455   -0.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8448    0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5475   -0.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2468    0.3822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9494   -0.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6487   -0.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9494    0.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2468   -0.3822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5475    0.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1455    0.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4429   -0.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0410   -0.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3417    0.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6390   -0.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9397    0.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2371   -0.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5378    0.3362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
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 10 11  1  0
 11 12  1  0
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 13 14  1  0
 14 15  1  0
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 16 17  1  0
 17 18  1  0
 18 19  1  0
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 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
M  END
$$$$
Mol_4349
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -3.9904   -1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5731   -1.9640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4392   -0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7226    0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5888    1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8722    2.9459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2617    3.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8286    0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1121   -0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5295   -0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8129   -2.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6633   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0218   -1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
  9 13  2  0
 13  3  1  0
M  END
$$$$
Mol_4350
     RDKit          2D

 21 25  0  0  0  0  0  0  0  0999 V2000
   -3.9072   -1.9026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2928   -0.5342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3124    0.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8005   -0.3820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9226   -1.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4062   -1.1117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5584    0.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7535    1.2870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862    0.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3061    1.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4399    2.4399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1915    2.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167    1.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5696   -1.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1840   -0.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1842   -1.1956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  4  2  1  1
  4  5  1  0
  5  6  1  1
  6  7  1  0
  7  8  2  0
  9  7  1  6
  9 10  1  0
 10 11  1  1
 10 12  1  0
 13 12  1  1
 13 14  1  0
 15 14  1  1
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 16 17  2  0
 16 18  1  0
 19 18  1  6
 19 20  1  0
 20 21  1  1
  9  4  1  0
 20 10  1  0
 19  5  1  0
 15 13  1  0
 20 15  1  0
M  END
$$$$
Mol_4351
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    5.8622    1.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7910    0.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1647   -0.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3460    1.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2748   -0.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6486   -1.4967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8299    0.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2413   -0.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1324   -2.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6863   -0.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.0211    0.9194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5049    1.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0600    1.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
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 10 11  1  0
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 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 10  1  0
M  END
$$$$
Mol_4352
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -3.0213    0.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5405    0.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4571    1.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9335   -1.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6781   -1.9983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4906   -1.0581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9714   -1.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9192   -0.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3862    1.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9054    1.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0423    0.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11  2  1  0
 11  6  1  0
M  END
$$$$
Mol_4353
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -0.4383   -2.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7358   -0.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3886    0.1265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8106   -0.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9350    0.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3570    0.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8797   -1.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8344    1.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7790   -0.3128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2823   -1.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7043   -0.9044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0019    0.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8774    1.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4554    1.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310    2.0740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  2 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 15 10  1  0
M  END
$$$$
Mol_4354
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.9360   -1.0434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4606    0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9908    0.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9965   -0.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4733   -0.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5796   -1.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4104   -2.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8849   -0.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5852    1.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0948    1.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3557    2.5259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10  5  1  0
M  END
$$$$
Mol_4355
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -5.8622    1.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7910    0.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1647   -0.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3460    1.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2748   -0.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6486   -1.4967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8299    0.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2413   -0.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1324   -2.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6863   -0.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0600    1.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5049    1.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5761    0.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0211    0.9194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2024   -0.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7575   -1.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 10  1  0
M  END
$$$$
Mol_4356
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    5.3182   -1.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9777    0.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0727    1.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5424    0.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4475   -0.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0121    0.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0828   -0.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2576   -2.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5182   -0.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6131   -1.3791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0484   -0.9435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3889    0.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8242    0.9530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2940    1.5426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8586    1.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15  9  1  0
M  END
$$$$
Mol_4357
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.6843    2.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7343    0.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5391   -0.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8623    0.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1357   -0.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8420   -1.5006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6349   -0.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0265   -0.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9444    1.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0576   -0.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1075   -1.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4308   -2.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -1.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542    0.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3309    0.7885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2810    2.2877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  2 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
  7  5  1  0
 15 10  1  0
M  END
$$$$
Mol_4358
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -2.6416    4.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6598    3.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1868    3.4840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1510    1.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1692    0.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3039    0.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2857   -0.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7945   -1.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7763   -2.7527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2493   -2.4695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7405   -1.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2135   -0.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7047    0.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7229    1.7824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2499    1.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7587    0.0819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7769    1.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6785   -1.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4537   -3.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9145   -2.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0423   -1.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3265   -0.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6399   -1.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2973    0.9236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6603   -0.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7553    0.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
  8 18  1  0
 18 19  1  0
 19 20  1  0
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 21 22  1  0
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 22 24  2  0
 21 25  1  0
 25 26  1  0
 25  5  1  0
 16  7  1  0
 25 18  1  0
 16 11  1  0
M  END
$$$$
Mol_4359
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    6.0727    1.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9777    0.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3182   -1.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5424    0.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4475   -0.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0121    0.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0828   -0.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2576   -2.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5182   -0.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6131   -1.3791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0484   -0.9435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3889    0.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8242    0.9530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2940    1.5426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8586    1.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15  9  1  0
M  END
$$$$
Mol_4360
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    6.0211   -0.9194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5761   -0.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5049   -1.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0600   -1.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6863    0.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2413    0.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1324    2.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8299   -0.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2748    0.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6486    1.4967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3460   -1.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7910   -0.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8622   -1.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1647    0.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7575    1.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2024    0.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
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  9 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
  5 15  1  0
 15 16  2  0
 16  2  1  0
M  END
$$$$
Mol_4361
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2990   -2.5109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -1.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -1.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952   -1.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942   -0.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942    1.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933    1.9891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952    1.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    1.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -1.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -2.5109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -1.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -0.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    1.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952    1.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942    1.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0933    1.9891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942   -0.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952   -1.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 18 19  1  0
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 20 21  1  0
 20 22  1  0
 22 23  2  0
 11  5  1  0
 23 17  1  0
M  END
$$$$
Mol_4362
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -5.6021   -0.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1233   -0.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6015    1.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1227    1.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1657    0.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3131    0.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1912    1.9025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3038   -1.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5981   -1.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9018   -1.0263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1961   -1.7844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9111    0.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4329    1.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3867    0.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6168    1.2317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875   -1.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1663   -1.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 12 15  1  0
  5 16  1  0
 16 17  1  0
 17  2  1  0
 15  6  1  0
M  END
$$$$
Mol_4363
     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.5867   -2.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1772   -1.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2221    0.0639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6765   -0.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7214    0.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1759    0.4064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8091   -1.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5427    1.8609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6304    0.0396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2773   -0.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3222   -1.7216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7767   -1.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1862    0.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5362   -0.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0646    1.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1413    1.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5508    2.6074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6868    0.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  2 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
 16 17  1  0
 16 18  1  0
 18 10  1  0
M  END
$$$$
Mol_4364
     RDKit          2D

 27 32  0  0  0  0  0  0  0  0999 V2000
    3.4744   -1.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2354    0.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7383    0.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6214   -0.4559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5953    0.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8112    1.9637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3528    1.6131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2119    2.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3789    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9204    0.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8031   -1.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5243   -2.1577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7941   -1.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1478   -2.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1806   -1.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4652    0.3178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9902    0.0448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4980    1.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9729    1.6786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6883    0.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6555   -0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7434   -1.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8517    0.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3517    0.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6800    2.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1891   -1.9473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1629   -0.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 11 26  1  0
 26 27  1  0
  7  2  1  0
 27  9  1  0
 27  4  1  0
 17 13  1  0
 23 18  1  0
 21 15  1  0
M  END
$$$$
Mol_4365
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -2.6406   -2.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5336   -1.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1035   -2.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8881   -1.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5086   -2.4487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5814   -0.7824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7496    0.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6160    1.3286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6282    0.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1187    0.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0096   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7184    1.7647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3701    2.0737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6301    3.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8607    1.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1614    0.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8566   -0.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
  7 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17  2  1  0
  9  4  1  0
 17  7  1  0
M  END
$$$$
Mol_4366
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
   -5.8421    1.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4265    1.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2891    0.6084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2670   -0.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3112    1.7459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8372    1.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1407    2.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6147    2.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5925    3.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1108    0.9114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5847    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0809   -0.7823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5548   -1.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0509   -2.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5327    0.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1516   -0.3694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4298   -1.8434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8454   -2.3395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2924   -2.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5705   -4.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  6
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
  3 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
M  END
$$$$
Mol_4367
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    6.1094    1.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0231    0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3759   -1.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5842    0.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4979   -0.3120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0589    0.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0273   -0.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3254   -2.3809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4663   -0.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5525   -1.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9915   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3442    0.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7832    0.7711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2580    1.3820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8190    0.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7328    1.9929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 15  9  1  0
M  END
$$$$
Mol_4368
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.7114   -3.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0766   -2.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2017   -1.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6119   -0.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1769    1.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7224    2.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6758    1.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0349    2.2899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4516    2.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8107    1.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6107    0.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6551    1.6636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9033   -0.1742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5978   -0.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7760   -2.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4063   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  1  0
 11 12  1  1
 11 13  1  0
 13 14  1  0
 14 15  1  6
 15 16  1  0
 16  2  1  0
 14 11  1  0
M  END
$$$$
Mol_4369
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -1.5063    3.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9565    1.7191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8902    0.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3404   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2741   -2.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1431   -1.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6929   -2.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0769    0.1018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5604   -0.1199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4941    1.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
M  END
$$$$
Mol_4370
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.7985   -0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3812    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0977    1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2473   -0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1701   -0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4536    0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8709    1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0048    0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7213   -0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3040   -1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
M  END
$$$$
Mol_4371
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    0.1324   -2.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2413   -0.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8299    0.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2748   -0.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6486   -1.4967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3460    1.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7910    0.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8622    1.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4372
     RDKit          2D

 23 23  0  0  0  0  0  0  0  0999 V2000
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 23 19  1  0
M  END
$$$$
Mol_4373
     RDKit          2D

 40 44  0  0  0  0  0  0  0  0999 V2000
    8.5630    2.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2432    2.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4374
     RDKit          2D

 40 44  0  0  0  0  0  0  0  0999 V2000
    7.5415    4.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4375
     RDKit          2D

 23 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4376
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
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 12  6  1  0
M  END
$$$$
Mol_4377
     RDKit          2D

 27 28  0  0  0  0  0  0  0  0999 V2000
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    7.6108    0.0709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  6  7  1  0
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 23 15  1  0
M  END
$$$$
Mol_4378
     RDKit          2D

 52 56  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4379
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
    3.7158   -3.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6725   -2.1650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5858    0.1456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  3  4  2  0
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 23  3  1  0
 20 12  1  0
M  END
$$$$
Mol_4380
     RDKit          2D

 27 28  0  0  0  0  0  0  0  0999 V2000
    7.5475   -1.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0392   -0.0921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4381
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
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 14  6  1  0
M  END
$$$$
Mol_4382
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
    3.7948   -0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4383
     RDKit          2D

 23 27  0  0  0  0  0  0  0  0999 V2000
    1.9718   -4.9204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0114   -3.8391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1460    0.5306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 18 20  1  0
 15 21  1  0
 21 22  1  0
 22 23  1  0
 19  3  1  0
 20  5  2  0
 20  9  1  0
 17 12  1  0
 23 14  1  0
M  END
$$$$
Mol_4384
     RDKit          2D

 24 29  0  0  0  0  0  0  0  0999 V2000
   -4.1292   -1.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6292   -1.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8756   -0.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6220    1.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1220    1.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8756   -0.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3419    0.1131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4946    1.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1225    2.2116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3756   -0.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3780    1.0815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8780    1.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6316    2.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1316    2.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8780    1.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1244   -0.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6244   -0.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8708   -1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3708   -1.5166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3829   -2.8135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8828   -2.8093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1250   -1.3455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4970   -0.7393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3443    0.7530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  3 10  1  0
 10 11  2  0
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 23 24  1  0
  6  1  1  0
 19 10  1  0
 21  2  1  0
  9  5  1  0
 17 12  1  0
 24 15  1  0
M  CHG  1  19   1
M  END
$$$$
Mol_4385
     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
    6.9170   -0.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3105    0.5504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8191    0.7112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2126    2.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7213    2.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8364    1.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4429   -0.3393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9343   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5408   -1.8720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6559   -3.0832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5580   -1.5505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -1.3898    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5398   -0.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3450    1.1933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2615    2.5652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7528    2.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6377    1.5148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1291    1.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0139    0.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4074   -0.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9161   -1.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0312    0.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5248   -1.9084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8219   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5061    0.3114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
  9 10  1  0
  7 11  1  0
 11 12  1  0
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 12 14  1  0
 14 15  2  0
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 17 18  1  0
 18 19  2  0
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 20 21  2  0
 21 22  1  0
 22 23  2  0
 21 24  1  0
 24 25  1  0
 25 26  1  0
  8  3  1  0
 23 14  1  0
 15  6  1  0
 23 18  1  0
 26 20  1  0
M  END
$$$$
Mol_4386
     RDKit          2D

 24 28  0  0  0  0  0  0  0  0999 V2000
    4.2652   -3.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0035   -2.2550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2419   -0.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7420   -0.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9804    0.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7187    1.6219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2187    1.6353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9803    0.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4802    0.3564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9571    2.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4572    2.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2812    1.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7811    1.5816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5194    0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0194    0.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7577   -1.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9961   -2.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4962   -2.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7578   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2579   -1.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4804    0.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2277   -0.7445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3978    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0330    1.3681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
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  6 10  1  0
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 11 12  1  0
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 13 14  1  0
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 16 22  1  0
 22 23  1  0
 23 24  1  0
  8  3  1  0
 21 12  1  0
 21  5  1  0
 19 14  1  0
 24 15  1  0
M  CHG  1  12   1
M  END
$$$$
Mol_4387
     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
    7.1257   -1.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2838   -0.7228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7877   -0.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1335   -2.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -2.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7956   -1.0478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2995   -1.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5424    0.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1118    1.4351    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6079    1.5435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4498    0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9459    0.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6001    1.7602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0961    1.8685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2261    2.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0680    3.8097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8803    1.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3764    1.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0306   -0.2398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1888   -1.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6927   -1.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0385   -0.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1093   -2.6656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5201   -2.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4715   -0.6568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
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 24 25  1  0
 25 26  1  0
 12  3  1  0
 23 18  1  0
 11  6  1  0
 26 20  1  0
 23  8  1  0
M  CHG  1   9   1
M  END
$$$$
Mol_4388
     RDKit          2D

 25 29  0  0  0  0  0  0  0  0999 V2000
    6.9811   -1.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978   -0.0745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6983   -0.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9821   -1.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4826   -1.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6993   -0.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4155    1.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9150    1.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6312    2.4840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8479    3.7632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1998   -0.2294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3658    2.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7992   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0159   -1.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7664   -2.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2733   -1.4859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6589   -0.9114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5407    0.5839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
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  6 11  1  0
 11 12  2  0
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 17 23  1  0
 23 24  1  0
 24 25  1  0
  8  3  1  0
 20 11  1  0
 22  5  1  0
 18 13  1  0
 25 16  1  0
M  CHG  1  20   1
M  END
$$$$
Mol_4389
     RDKit          2D

 24 28  0  0  0  0  0  0  0  0999 V2000
    6.4015    1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9016    1.4470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3801   -1.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.3287   -0.0705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 11 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 19 22  1  0
 22 23  1  0
 23 24  1  0
 13  3  1  0
 21 16  1  0
 13  8  1  0
 24 18  1  0
 21 10  1  0
M  CHG  1  11   1
M  END
$$$$
Mol_4390
     RDKit          2D

 32 32  0  0  0  0  0  0  0  0999 V2000
   -6.4196    1.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1829   -0.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -1.8527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7017   -0.1348    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -4.4650   -1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9384    1.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2205    0.1020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6849    1.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6305    2.6675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8131    3.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7587    2.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2399    2.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1855    1.2856    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    5.3499    2.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0211    0.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9667   -0.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2955    1.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0767   -1.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2231    0.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0342   -2.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0975   -3.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3036   -2.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4986   -3.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5619   -4.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2581    0.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 16 19  1  0
 19 20  1  0
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 19 22  1  0
 14 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
 28 29  1  0
 28 30  1  0
 28 31  1  0
 23 32  2  0
 32 11  1  0
M  END
$$$$
Mol_4391
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    3.0676   -3.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -1.7785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9986   -0.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5866   -0.6449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.7570   -0.1284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1393    3.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1477    0.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5148    1.2066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  5 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  2  0
 14 15  1  0
 14  3  1  0
M  END
$$$$
Mol_4392
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -2.1546    1.3820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6548    1.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1169    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8885   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1694   -0.6508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1443   -2.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4032    0.8925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7146    0.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  3  7  1  0
  7  8  1  0
M  END
$$$$
Mol_4393
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.0576   -0.3449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6744   -0.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4852   -2.4131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4803   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0971   -0.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9030    0.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5197   -0.2696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6743    0.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4851    2.1263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0576    0.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2516    0.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0624    2.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2565    3.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.8290    1.2937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6301   -2.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0922    1.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4755    2.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6695    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0528    2.0509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
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 17 18  2  0
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  6 23  2  0
 23 24  1  0
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 25 26  1  0
 25  4  1  0
 16 11  1  0
 22 17  1  0
M  END
$$$$
Mol_4394
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
   -0.8450   -1.4465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1699    0.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0256   -1.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5597   -0.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0406   -0.0162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1468    2.3105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2120    1.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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 10 11  1  0
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 13 14  1  0
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 14 18  1  0
 18 19  1  0
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 21 22  1  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 12  5  1  0
 25 14  1  0
M  END
$$$$
Mol_4395
     RDKit          2D

 48 53  0  0  0  0  0  0  0  0999 V2000
  -13.7077    2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2113    2.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3733    0.9088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8768    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.8840    1.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7221    2.4640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3876    1.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4396
     RDKit          2D

 38 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4397
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4398
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4399
     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4400
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4401
     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0
 26 21  1  0
 15 10  1  0
M  END
$$$$
Mol_4402
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
    6.3955   -2.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25  4  1  0
 20 11  1  0
M  END
$$$$
Mol_4403
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.1762   -2.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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 20  6  1  0
 18  9  1  0
M  END
$$$$
Mol_4404
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -5.2755    1.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  2  3  1  0
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 22  3  1  0
 20  7  1  0
 20 11  1  0
M  END
$$$$
Mol_4405
     RDKit          2D

 66 73  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4406
     RDKit          2D

 71 78  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4407
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4408
     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4409
     RDKit          2D

 18 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4410
     RDKit          2D

 64 69  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4411
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4412
     RDKit          2D

 65 70  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4413
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4414
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4415
     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4416
     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4417
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4418
     RDKit          2D

 46 51  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4419
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4420
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4421
     RDKit          2D

 65 72  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4422
     RDKit          2D

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$$$$
Mol_4423
     RDKit          2D

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 52 21  1  0
M  END
$$$$
Mol_4424
     RDKit          2D

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M  END
$$$$
Mol_4425
     RDKit          2D

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M  END
$$$$
Mol_4426
     RDKit          2D

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M  END
$$$$
Mol_4427
     RDKit          2D

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M  END
$$$$
Mol_4428
     RDKit          2D

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$$$$
Mol_4429
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4430
     RDKit          2D

 80 87  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4431
     RDKit          2D

 86 94  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4432
     RDKit          2D

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M  END
$$$$
Mol_4433
     RDKit          2D

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$$$$
Mol_4434
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4435
     RDKit          2D

 52 57  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4436
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4437
     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4438
     RDKit          2D

 44 46  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4439
     RDKit          2D

 47 54  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4440
     RDKit          2D

 47 54  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4441
     RDKit          2D

 33 35  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_4442
     RDKit          2D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4443
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4444
     RDKit          2D

 33 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4445
     RDKit          2D

 36 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4446
     RDKit          2D

 25 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4447
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4448
     RDKit          2D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4449
     RDKit          2D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4450
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4451
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4452
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4453
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
    4.3949   -4.9197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9051   -3.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4030    1.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4454
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
   -0.1023   -1.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3469   -1.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1857    0.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8559   -1.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9156   -2.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9753   -3.9752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9647    3.5553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2960    0.8711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
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 33 20  1  0
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M  END
$$$$
Mol_4455
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
    6.0874    1.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0227    0.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9580   -0.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1954    1.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500   -0.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5131   -2.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5778   -1.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5093   -2.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5087    1.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7727    2.1423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4040    0.1367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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M  END
$$$$
Mol_4456
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.8118   -0.9937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5402   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145   -0.5268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8977    1.1054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4100    0.9132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6199    2.0037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  7  9  1  0
  9 10  1  0
 10 11  2  0
 10  5  1  0
M  END
$$$$
Mol_4457
     RDKit          2D

 36 36  0  0  0  0  0  0  0  0999 V2000
    5.0490   -0.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.2990    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4458
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
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  4  6  1  0
M  CHG  2   3  -1   6  -1
M  END
$$$$
Mol_4459
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4460
     RDKit          2D

 31 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4461
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4462
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4463
     RDKit          2D

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 21  6  1  0
M  END
$$$$
Mol_4464
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4465
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.3602   -2.7504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4466
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
   12.2106   -0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4467
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 16  5  1  0
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M  END
$$$$
Mol_4468
     RDKit          2D

 57 57  0  0  0  0  0  0  0  0999 V2000
   24.3061    3.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4469
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4470
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4471
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4472
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4473
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4474
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4475
     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4476
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4477
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4478
     RDKit          2D

 38 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4479
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4480
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4481
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4482
     RDKit          2D

 38 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4483
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4484
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4485
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
 16  6  1  0
M  END
$$$$
Mol_4486
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4487
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
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   -2.9915    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8822    0.4540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4311   -1.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
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  5  6  1  0
  6  7  2  0
  7  8  1  0
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  9 10  2  0
 10  4  1  0
M  END
$$$$
Mol_4488
     RDKit          2D

  4  3  0  0  0  0  0  0  0  0999 V2000
    1.2990    0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
M  END
$$$$
Mol_4489
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
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 13  5  1  0
 13  8  1  0
M  END
$$$$
Mol_4490
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
    1.6821    3.1298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23  9  1  0
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M  END
$$$$
Mol_4491
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2   2   1   4  -1
M  END
$$$$
Mol_4492
     RDKit          2D

  6  6  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4493
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4494
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4495
     RDKit          2D

 42 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4496
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2   8   1  10  -1
M  END
$$$$
Mol_4497
     RDKit          2D

 26 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4498
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4499
     RDKit          2D

 25 24  0  0  0  0  0  0  0  0999 V2000
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   14.3888   -0.5774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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 23 24  2  0
 23 25  1  0
M  END
$$$$
Mol_4500
     RDKit          2D

 28 29  0  0  0  0  0  0  0  0999 V2000
   -7.2929   -1.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7978   -1.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7533   -1.1737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
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M  END
$$$$
Mol_4501
     RDKit          2D

 27 28  0  0  0  0  0  0  0  0999 V2000
   -7.9494   -1.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5862   -0.4303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4794   -1.9679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 10 11  1  0
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 22 13  1  0
M  END
$$$$
Mol_4502
     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -5.9545    0.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7131   -0.4988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3633    0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1631    1.9978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21  4  1  0
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M  END
$$$$
Mol_4503
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -2.0785    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7794    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5196   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
M  END
$$$$
Mol_4504
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -2.5981    0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.4500    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.4500    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
M  END
$$$$
Mol_4505
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.3929    1.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4629   -0.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0487   -1.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  6  7  2  0
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  9 10  1  0
  9 11  2  0
 11  4  1  0
M  END
$$$$
Mol_4506
     RDKit          2D

 87 96  0  0  0  0  0  0  0  0999 V2000
    1.3404    0.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4507
     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4508
     RDKit          2D

 30 35  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_4509
     RDKit          2D

 29 34  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_4510
     RDKit          2D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4511
     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4512
     RDKit          2D

 40 44  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4513
     RDKit          2D

 35 38  0  0  0  0  0  0  0  0999 V2000
  -10.6700   -1.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1701   -1.6818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4514
     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4515
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4516
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4517
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
    3.1581    1.6673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4518
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
    4.8808   -1.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4519
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
    4.6393   -1.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4520
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.4314   -3.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4521
     RDKit          2D

 38 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4522
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4523
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 12  6  1  0
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M  END
$$$$
Mol_4524
     RDKit          2D

 41 45  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4525
     RDKit          2D

 35 38  0  0  0  0  0  0  0  0999 V2000
    7.6436   -3.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3089   -2.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4526
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.2689    0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3029    0.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4825   -0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8748    0.2197    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  4  5  1  0
  5  6  1  0
M  END
$$$$
Mol_4527
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
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   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  1   7   1
M  END
$$$$
Mol_4528
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  6  7  1  0
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  6 10  1  0
 10 11  2  0
 11  3  1  0
M  END
$$$$
Mol_4529
     RDKit          2D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -1.2990   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
M  END
$$$$
Mol_4530
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -1.8187    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5196    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7794    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0785   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
M  END
$$$$
Mol_4531
     RDKit          2D

 44 48  0  0  0  0  0  0  0  0999 V2000
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    1.2095    4.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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$$$$
Mol_4532
     RDKit          2D

  4  3  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4533
     RDKit          2D

 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4534
     RDKit          2D

 35 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4535
     RDKit          2D

 34 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4536
     RDKit          2D

 33 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4537
     RDKit          2D

 35 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4538
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_4539
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_4540
     RDKit          2D

 36 38  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_4541
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_4542
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_4543
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_4544
     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_4545
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4546
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4547
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4548
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4549
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4550
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4551
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
    3.8278   -0.6008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4552
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4553
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4554
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4555
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4556
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4557
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4558
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4559
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4560
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4561
     RDKit          2D

 37 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4562
     RDKit          2D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4563
     RDKit          2D

 38 42  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4564
     RDKit          2D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4565
     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4566
     RDKit          2D

 37 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4567
     RDKit          2D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4568
     RDKit          2D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4569
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4570
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4571
     RDKit          2D

 60 66  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_4572
     RDKit          2D

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$$$$
Mol_4573
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4574
     RDKit          2D

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$$$$
Mol_4575
     RDKit          2D

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$$$$
Mol_4576
     RDKit          2D

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M  END
$$$$
Mol_4577
     RDKit          2D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4578
     RDKit          2D

 30 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4579
     RDKit          2D

 23 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4580
     RDKit          2D

 27 31  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4581
     RDKit          2D

 24 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4582
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0
  2 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
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 17 18  1  0
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 11  3  1  0
 18 12  1  0
 10  5  1  0
M  END
$$$$
Mol_4583
     RDKit          2D

 65 69  0  0  0  0  0  0  0  0999 V2000
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    0.0000    7.7619    0.0000 Mg  0  0  0  0  0 15  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
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 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
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 17 18  2  0
 18 19  1  0
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 18 22  1  0
 22 23  1  0
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 14 27  2  0
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 27 29  1  0
 29 30  1  0
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 30 32  1  0
 32 33  1  6
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 35 36  1  0
 10 37  1  0
 37 38  1  1
 38 39  1  0
 39 40  1  0
 40 41  2  0
 40 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  2  0
 45 46  1  0
 45 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  6
 50 52  1  0
 52 53  1  0
 53 54  1  0
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 37 63  1  0
 63 64  1  6
 20  3  1  0
 21  6  1  0
 63  8  1  0
 32 11  1  0
 29 12  2  0
 24 16  1  0
M  CHG  3  13  -1  21  -1  65   2
M  END
$$$$
Mol_4584
     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
   -5.9157   -2.6297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1945   -1.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2526    1.3491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0318    2.6975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6481    4.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
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 12 13  1  0
 13 14  2  0
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 11 19  1  0
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 23 25  1  0
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 21  3  1  0
 19  5  1  0
 18 10  1  0
 22 10  1  0
 18 13  1  0
M  END
$$$$
Mol_4585
     RDKit          2D

 28 32  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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  4  5  1  0
  5  6  1  0
  5  7  1  0
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  9 10  1  0
 10 11  2  0
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 13 14  1  0
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 25 27  1  0
 27 28  1  0
 21  3  1  0
 17  5  1  0
 17  9  1  0
 22  9  1  0
 15 10  1  0
M  CHG  1   5   1
M  END
$$$$
Mol_4586
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
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   -0.1078    2.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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  7 10  1  0
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 14  2  1  0
 14  6  1  0
M  END
$$$$
Mol_4587
     RDKit          2D

 27 31  0  0  0  0  0  0  0  0999 V2000
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M  CHG  1   5   1
M  END
$$$$
Mol_4588
     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4589
     RDKit          2D

 28 32  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2   5   1   6  -1
M  END
$$$$
Mol_4590
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
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    0.1992    0.5460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  6  1  0
M  END
$$$$
Mol_4591
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
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 12  2  1  0
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M  END
$$$$
Mol_4592
     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4593
     RDKit          2D

 28 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4594
     RDKit          2D

 27 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4595
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4596
     RDKit          2D

 56 55  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_4597
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_4598
     RDKit          2D

 25 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4599
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4600
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4601
     RDKit          2D

 49 59  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4602
     RDKit          2D

 50 54  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4603
     RDKit          2D

 28 33  0  0  0  0  0  0  0  0999 V2000
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   -3.2730   -2.2281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8231   -3.6236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
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 23  3  1  0
 21  5  1  0
 20  6  1  0
 19  8  1  0
 24  8  1  0
 14  9  1  0
M  END
$$$$
Mol_4604
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -2.5208    1.9906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7234    0.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2826   -0.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7374   -1.0376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1317   -1.6338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1388   -0.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5815   -1.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6585   -0.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1012   -0.6136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2928    1.2518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8501    1.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2269    0.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12  2  1  0
 12  6  1  0
M  END
$$$$
Mol_4605
     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
   -3.6916   -4.3631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1190   -2.9767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6320   -2.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7176   -3.9684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4276   -1.1956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5692   -2.1686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8473   -1.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2860   -1.8081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3730   -0.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0213    0.6838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5826    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4319    4.0304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9738   -0.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0858    1.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
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 14  6  1  0
 26 17  1  0
 13  8  1  0
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M  CHG  2  17   1  18  -1
M  END
$$$$
Mol_4606
     RDKit          2D

 27 31  0  0  0  0  0  0  0  0999 V2000
   -1.3275    4.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3686    3.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9539    1.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4941    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1980   -3.7244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9987    2.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4544    1.8363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5840    3.6395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2941   -1.3393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1113   -0.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7210   -0.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
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  8  9  2  0
  7 10  1  0
 10 11  1  0
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 26 27  2  0
 13  3  1  0
 27 19  1  0
 10  4  1  0
 20 11  1  0
 27 22  1  0
M  END
$$$$
Mol_4607
     RDKit          2D

 24 28  0  0  0  0  0  0  0  0999 V2000
   -6.1224   -2.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3369   -0.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8374   -0.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0519    0.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5525    0.4281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7324    1.6647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4464    0.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6609   -0.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6335   -2.0743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0201   -1.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3731   -2.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0185    2.9839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6954    4.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 19  3  1  0
 17  5  1  0
 16  8  1  0
 20  8  1  0
 16 11  1  0
M  END
$$$$
Mol_4608
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -4.0294    3.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7209    1.8029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2471    1.8704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.0720   -1.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
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 19  3  1  0
 17  5  1  0
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M  END
$$$$
Mol_4609
     RDKit          2D

 27 32  0  0  0  0  0  0  0  0999 V2000
   -4.4094   -1.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  9  1  0
M  END
$$$$
Mol_4610
     RDKit          2D

 25 29  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2   5   1   6  -1
M  END
$$$$
Mol_4611
     RDKit          2D

 27 32  0  0  0  0  0  0  0  0999 V2000
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M  CHG  1   5   1
M  END
$$$$
Mol_4612
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4613
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4614
     RDKit          2D

 25 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4615
     RDKit          2D

 48 57  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_4616
     RDKit          2D

 26 31  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4617
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4618
     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4619
     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4620
     RDKit          2D

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    1.4592   -0.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 16  1  0
 14  6  1  0
 29 20  1  0
M  END
$$$$
Mol_4621
     RDKit          2D

 27 31  0  0  0  0  0  0  0  0999 V2000
   -3.1932   -4.7670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3071    1.4716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25  5  1  0
 15  6  1  0
 27 18  1  0
 14  8  1  0
 27 15  1  0
M  CHG  1  18   1
M  END
$$$$
Mol_4622
     RDKit          2D

 24 28  0  0  0  0  0  0  0  0999 V2000
   -5.9176    0.9128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0072    1.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5126    0.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 22  3  1  0
 24  5  1  0
 16  8  1  0
 24  9  1  0
 16 11  1  0
M  END
$$$$
Mol_4623
     RDKit          2D

 27 31  0  0  0  0  0  0  0  0999 V2000
   -4.8936   -2.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8119    0.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 19  1  0
 17  5  1  0
 27 22  1  0
 20  7  1  0
M  CHG  2   5   1   6  -1
M  END
$$$$
Mol_4624
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 25  5  1  0
 14  6  1  0
 25 19  1  0
 13  8  1  0
M  END
$$$$
Mol_4625
     RDKit          2D

 24 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4626
     RDKit          2D

 25 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4627
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4628
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4629
     RDKit          2D

 43 42  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4630
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4631
     RDKit          2D

 28 33  0  0  0  0  0  0  0  0999 V2000
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 27 28  1  0
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 22  8  1  0
 14  9  1  0
M  END
$$$$
Mol_4632
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.9369    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4587    0.7883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0
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  7  2  1  0
 12  4  1  0
M  END
$$$$
Mol_4633
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.2800   -2.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3765   -1.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9617    0.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4504    0.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
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 16 17  2  0
 16  2  1  0
 14  4  1  0
M  END
$$$$
Mol_4634
     RDKit          2D

 14 16  0  0  0  0  0  0  0  0999 V2000
    2.0490   -2.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3481   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 10 11  1  0
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 14  2  1  0
 11  3  1  0
 10  4  1  0
M  END
$$$$
Mol_4635
     RDKit          2D

 16 19  0  0  0  0  0  0  0  0999 V2000
   -0.3909    2.0672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9339    1.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  8  1  0
 13  9  1  0
M  END
$$$$
Mol_4636
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.7249   -2.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7368   -1.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2200    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 14  4  1  0
M  END
$$$$
Mol_4637
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 13  6  1  0
M  END
$$$$
Mol_4638
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.6401   -0.6127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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  4  5  1  0
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  5  7  1  0
  7  2  1  0
M  END
$$$$
Mol_4639
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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M  END
$$$$
Mol_4640
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
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   -4.1203   -0.9648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458    1.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1940    2.3734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5507    1.0184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  1  0
  8  6  1  0
 16 14  1  0
 16  6  1  0
M  END
$$$$
Mol_4641
     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -5.4867   -0.8466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5224    0.6530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9039    2.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7537    2.9824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2996    3.3508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8297    3.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3649    2.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0477    0.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0833   -0.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9936   -1.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4308   -2.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8460   -1.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6986   -0.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6629    0.9189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2257    1.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3154    2.5407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9003    2.0434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4648   -2.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6854   -3.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1394   -3.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6093   -3.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8040   -2.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
  9 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22  1  1  0
 17  8  1  0
M  END
$$$$
Mol_4642
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.4284   -1.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1064   -0.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6051   -0.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3050    1.2648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1166    2.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2703    1.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4586    2.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4688    0.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6410    1.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7195   -0.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2162   -2.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2832   -2.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7066   -0.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0934   -1.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5754    0.4974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 10  2  1  0
 13  8  1  0
M  END
$$$$
Mol_4643
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -5.9471    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4592    0.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8803    1.6640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5503   -0.9130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0624   -0.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4835    0.6613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0043    0.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5833    2.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3257    3.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0711    2.4261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9800    1.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4679    1.4234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4011   -0.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100   -1.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7979   -1.1536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7311   -2.7279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9133   -0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3343   -1.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1535   -1.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7324   -3.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 13 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19  5  1  0
 17  7  1  0
M  END
$$$$
Mol_4644
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.9545    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4545   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7045   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2045   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0455   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0455    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5455   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2045    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7045    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  5 10  1  0
 10 11  2  0
 11  2  1  0
M  END
$$$$
Mol_4645
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.7760    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2760    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8578    2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    1.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -1.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8578   -2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
  9  2  1  0
M  END
$$$$
Mol_4646
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -2.6542    1.5019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1138    0.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0554   -1.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6318   -0.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2465    1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2512    1.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917    0.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1268    0.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6112   -1.2532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6279   -0.9433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7072   -1.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  1  0
 10  4  1  0
 11  4  1  0
M  END
$$$$
Mol_4647
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.6571    3.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8695    1.8128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6897    0.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2976    1.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8822    0.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6698   -0.9663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7223   -1.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9021   -0.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2942   -1.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4740   -0.2307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5065   -2.6419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8496   -1.8926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2418   -1.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4541    0.1508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1615    1.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796   -0.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2743    1.0772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
  6 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 14 17  1  0
  8  3  1  0
 17  5  1  0
M  END
$$$$
Mol_4648
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -2.9396   -2.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4928   -1.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5095    0.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0628    1.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5993    1.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5826    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0114    2.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0294   -0.7194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1944   -1.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3975   -0.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9173    0.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3383    1.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8186   -0.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2988   -1.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2396    0.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
  8  2  1  0
 13 10  1  0
 11  6  1  0
M  END
$$$$
Mol_4649
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
    2.7538    0.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4606    0.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4723   -1.3948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1558    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1374    0.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3772   -1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8975    1.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4305   -0.6752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
M  END
$$$$
Mol_4650
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.5157   -2.3690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5984   -0.8713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9369   -0.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1926   -1.0147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5310   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6138    1.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9522    1.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2079    1.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5464    1.6940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1251   -0.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7867   -1.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3428   -0.0507    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9957   -0.7279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2513    0.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5898   -0.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
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 11  5  1  0
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M  END
$$$$
Mol_4651
     RDKit          2D

 45 48  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0
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M  END
$$$$
Mol_4652
     RDKit          2D

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M  END
$$$$
Mol_4653
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4654
     RDKit          2D

 84 94  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4655
     RDKit          2D

 31 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4656
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4657
     RDKit          2D

 31 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4658
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4659
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4660
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_4661
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4662
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4663
     RDKit          2D

 53 58  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4664
     RDKit          2D

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M  END
$$$$
Mol_4665
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4666
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4667
     RDKit          2D

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M  END
$$$$
Mol_4668
     RDKit          2D

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M  END
$$$$
Mol_4669
     RDKit          2D

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M  END
$$$$
Mol_4670
     RDKit          2D

 62 70  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4671
     RDKit          2D

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M  END
$$$$
Mol_4672
     RDKit          2D

 75 83  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4673
     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
  -10.5140   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 19 21  2  0
 21 14  1  0
M  END
$$$$
Mol_4674
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4675
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0
 22 13  1  0
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M  END
$$$$
Mol_4676
     RDKit          2D

 76 84  0  0  0  0  0  0  0  0999 V2000
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 43 27  1  0
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 37 28  1  0
M  END
$$$$
Mol_4677
     RDKit          2D

 64 72  0  0  0  0  0  0  0  0999 V2000
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 49  9  1  0
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 38 27  1  0
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 38 30  1  0
M  END
$$$$
Mol_4678
     RDKit          2D

 76 85  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4679
     RDKit          2D

 75 84  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4680
     RDKit          2D

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M  END
$$$$
Mol_4681
     RDKit          2D

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M  END
$$$$
Mol_4682
     RDKit          2D

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M  END
$$$$
Mol_4683
     RDKit          2D

 34 39  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_4684
     RDKit          2D

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M  END
$$$$
Mol_4685
     RDKit          2D

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M  END
$$$$
Mol_4686
     RDKit          2D

 26 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4687
     RDKit          2D

 35 38  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
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 29  8  1  0
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M  END
$$$$
Mol_4688
     RDKit          2D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4689
     RDKit          2D

 26 31  0  0  0  0  0  0  0  0999 V2000
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    4.4611   -1.4839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 18  2  1  0
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 21 14  1  0
M  END
$$$$
Mol_4690
     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
    5.1335   -0.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4691
     RDKit          2D

 41 47  0  0  0  0  0  0  0  0999 V2000
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 32  4  1  0
 36  4  1  0
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 39 13  1  0
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M  END
$$$$
Mol_4692
     RDKit          2D

 27 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4693
     RDKit          2D

 27 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4694
     RDKit          2D

 45 51  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4695
     RDKit          2D

 44 50  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4696
     RDKit          2D

 43 49  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4697
     RDKit          2D

 42 48  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4698
     RDKit          2D

 28 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4699
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4700
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4701
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4702
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4703
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4704
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4705
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4706
     RDKit          2D

 31 36  0  0  0  0  0  0  0  0999 V2000
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  6  7  1  0
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 14  7  1  0
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 31 18  1  0
M  END
$$$$
Mol_4707
     RDKit          2D

 30 34  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
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 27 28  1  0
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 29 12  1  0
 29  7  1  0
 26 14  1  0
 24 17  1  0
M  END
$$$$
Mol_4708
     RDKit          2D

 30 34  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
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  4  5  1  0
  5  6  1  0
  6  7  1  0
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 29 12  1  0
 14  7  1  0
 29 17  1  0
 26 18  1  0
M  END
$$$$
Mol_4709
     RDKit          2D

 30 34  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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 29 12  1  0
 14  7  1  0
 29 17  1  0
 26 18  1  0
M  END
$$$$
Mol_4710
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
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 31 32  1  0
 10  4  1  0
 31 14  1  0
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M  END
$$$$
Mol_4711
     RDKit          2D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4712
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4713
     RDKit          2D

 47 53  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4714
     RDKit          2D

 42 48  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4715
     RDKit          2D

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M  END
$$$$
Mol_4716
     RDKit          2D

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M  END
$$$$
Mol_4717
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_4718
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4719
     RDKit          2D

 51 50  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4720
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
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  8  9  1  0
  9  4  1  0
M  END
$$$$
Mol_4721
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    0.0000   -3.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4722
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4723
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4724
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4725
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4726
     RDKit          2D

 28 27  0  0  0  0  0  0  0  0999 V2000
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 26 27  1  0
 27 28  1  0
M  END
$$$$
Mol_4727
     RDKit          2D

 30 34  0  0  0  0  0  0  0  0999 V2000
    6.0199   -0.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6525   -1.3475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1694    0.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  6  7  1  0
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 10 11  1  0
 11 12  2  0
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 13 14  1  0
 13 15  1  0
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 18 20  1  0
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 28 29  1  0
 29 30  1  0
 28  3  1  0
 20  6  1  0
 12  7  1  0
 20 15  1  0
 23  9  1  0
M  END
$$$$
Mol_4728
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -3.5140    0.3095    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2602   -0.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3336   -0.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6736    0.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7598    1.5085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9274   -0.8124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
M  END
$$$$
Mol_4729
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    4.9915   -1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4928   -1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2989   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4954   -1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8068   -2.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1972    0.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8925    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4071    2.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7119    3.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
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  6  9  2  0
  9 10  1  0
 10 11  1  0
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 12 13  2  0
 13 14  1  0
 14 15  1  0
 13  4  1  0
M  END
$$$$
Mol_4730
     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
   -4.7486   -0.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3132    0.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4425    1.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9929    1.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0878    0.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5232    1.0692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4365    3.6594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0492    2.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
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 12 13  2  0
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 21 22  2  0
 11  4  1  0
 22 15  1  0
M  END
$$$$
Mol_4731
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    2.4509   -2.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1522   -0.8064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7298   -0.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5372    1.0990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4312    1.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5549    2.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9772    1.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2759    0.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6983   -0.2891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
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  5  8  2  0
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  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 12  3  1  0
M  END
$$$$
Mol_4732
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -2.4775   -3.0409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7507   -1.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1645   -1.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6716    1.3561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9899    2.0716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0778    1.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 19  2  1  0
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 17  9  1  0
M  END
$$$$
Mol_4733
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -6.1212    1.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2492    0.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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  6  7  1  0
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  8  9  1  6
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 10 11  1  0
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 30 12  1  0
 13  7  1  0
 30 17  1  0
 26 19  1  0
M  END
$$$$
Mol_4734
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -2.5132   -2.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2331    0.9988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2922   -0.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0238   -1.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3038   -0.6024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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  3  4  1  0
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 17  6  1  0
 15  9  1  0
M  END
$$$$
Mol_4735
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.5740   -3.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3992   -2.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3037   -2.2606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0622    1.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2328    2.1749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7297   -0.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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 17 18  1  0
 18  2  1  0
 11  5  1  0
 18 12  1  0
M  END
$$$$
Mol_4736
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -3.2553    2.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7360    0.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5723    1.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2922    0.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
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 17  2  1  0
 17  6  1  0
 15  8  1  0
M  END
$$$$
Mol_4737
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.2963   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0463   -0.2751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9824    1.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1572    2.1562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5373    1.6259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7082    0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3037   -2.2606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0492   -2.9084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2328    2.1749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7918    0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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  3  4  2  0
  3  5  1  0
  5  6  1  0
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  7  8  1  0
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 16 18  1  0
  7  2  1  0
 18 12  1  0
 18  6  1  0
M  END
$$$$
Mol_4738
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -2.6397    2.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0085    0.8872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4521    0.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9338   -0.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1486   -1.6438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8032   -2.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2432   -1.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750   -2.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4555    0.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5112    1.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4527   -0.1776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7215   -0.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8462   -2.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0488   -0.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1073    1.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8385    2.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8970    3.5189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
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  6  7  1  0
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  9  4  1  0
 16 10  1  0
 12  7  1  0
M  END
$$$$
Mol_4739
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    5.2184   -1.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4986   -0.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2783    0.9532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9990   -0.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2791    1.0224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7795    1.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5019    1.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7832    2.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0992    1.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1339    0.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4499   -0.3226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8525   -0.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2031   -2.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6057   -2.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5365    0.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
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 16  6  1  0
 16  7  1  0
M  END
$$$$
Mol_4740
     RDKit          2D

 39 45  0  0  0  0  0  0  0  0999 V2000
   -6.7603    0.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5904    1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6622    3.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2595    3.6848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6379    2.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4741
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.2541   -1.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2779    1.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2720    2.8407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    2.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8162    0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6354   -2.5298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 17  4  1  0
 17  7  1  0
M  END
$$$$
Mol_4742
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.2528   -3.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2208   -2.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2077   -2.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4561   -1.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7470   -2.6704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5842   -0.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9021    0.3044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2563   -0.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6281    1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6601    2.8677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1408    1.9742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9899    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7538   -0.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2176   -0.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3583    0.9425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6492    1.7064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9816    1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6539    3.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
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 16 18  1  0
 18 19  1  0
 14  2  1  0
 12  6  1  0
 18 13  1  0
M  END
$$$$
Mol_4743
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -3.9995    0.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4996    0.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6424    1.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6703   -1.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3058   -1.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0077   -3.1224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2917   -0.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4461   -1.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9460   -1.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7082   -0.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2081   -0.5891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9703    0.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7325    2.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2325    2.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2674    2.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0295    0.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4704    0.7449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
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 15 16  1  0
 12 17  1  0
 16  2  1  0
 16  7  1  0
 17  7  1  0
M  END
$$$$
Mol_4744
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
    3.7388   -1.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6986   -0.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9616    0.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3109    1.3810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6384    1.4322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5576    0.3921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2129   -0.9572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5665   -2.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8948   -2.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0706   -1.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4199   -2.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0755   -0.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3301    0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9358    2.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4375    2.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6153    3.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9059    0.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
  7  2  1  0
 17 12  1  0
 17  6  1  0
M  END
$$$$
Mol_4745
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -4.0321   -1.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5651   -0.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5661    1.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0971    0.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6301    1.6512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1622    1.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8388    0.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3058    2.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3068    1.1507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7738    2.5761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3078    0.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8408   -1.3919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3728   -1.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0989   -2.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9314   -3.0924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3719   -0.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0961   -0.8914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
 16 17  1  0
 17  4  1  0
 16  7  1  0
M  END
$$$$
Mol_4746
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
    3.3573   -1.6068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9260   -0.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3626    0.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4946    1.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0579    0.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4893   -0.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6351   -1.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8615   -1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8138   -0.7421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9371   -2.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4575   -0.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3342    1.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0220    2.0342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5672    2.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9235    1.6071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0468    0.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4031   -0.5286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
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 11 12  1  0
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 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
  6  2  1  0
 16  9  1  0
 12  5  1  0
M  END
$$$$
Mol_4747
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.2528   -3.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2208   -2.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2077   -2.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4561   -1.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7470   -2.6704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5842   -0.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9021    0.3044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2563   -0.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6281    1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6601    2.8677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1408    1.9742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4957    0.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9816    1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6539    3.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3583    0.9425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6492    1.7064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2176   -0.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7538   -0.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
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  9 10  2  0
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 11 12  1  0
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 14 15  1  0
 14 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19  2  1  0
 12  6  1  0
 19 13  1  0
M  END
$$$$
Mol_4748
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.5118    3.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2686    2.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0798    3.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3738    1.1609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7223    0.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8275   -0.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5842   -1.8317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6267   -2.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7030   -3.0456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2358   -1.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0074   -2.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3559   -1.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4611    0.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8095    0.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0528   -0.0429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2179    0.9786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1306    0.3216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 10 11  1  0
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 12 13  1  0
 13 14  1  0
 14 15  2  0
 13 16  2  0
 16 17  1  0
 17  4  1  0
 17 10  1  0
M  END
$$$$
Mol_4749
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -2.4864   -2.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6962   -0.9004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1815   -1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9061    0.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    0.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6269    2.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5512    3.2487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7994    2.5319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1906    1.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8957    0.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0112   -0.3558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5849   -0.8203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2901   -2.1443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4036   -1.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0955   -1.6935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2110   -0.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
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  9 10  1  0
 10 11  1  0
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 14 15  1  0
 15 16  1  0
 16  2  1  0
 16  5  1  0
 12 10  1  0
M  END
$$$$
Mol_4750
     RDKit          2D

 27 28  0  0  0  0  0  0  0  0999 V2000
    4.7318   -0.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9464    0.6774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6834    1.9839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1735    2.1556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6686    3.0885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3044    2.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9281    3.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2766    2.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6529    2.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1049    0.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3095   -0.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1378   -1.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6859    0.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8905   -0.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2669    0.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4715   -0.8114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8479   -0.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0525   -1.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0196    1.2751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2715    0.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4432   -1.4094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8196   -2.0057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9913   -3.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3676   -4.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7866   -4.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4761    0.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
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 11 13  1  0
 13 14  1  0
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 17 18  1  0
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 10 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 20 27  1  0
 27  2  1  0
 27  6  1  0
M  END
$$$$
Mol_4751
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.4614    2.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3062    0.6251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5206   -0.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9365    0.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8932   -1.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6939   -2.3868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7582   -2.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2297   -2.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8015   -3.5103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3698   -0.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8498   -0.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0749    1.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7340    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5428    3.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5622    2.6948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6802    0.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7912    0.9823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
 16 17  1  0
 17  4  1  0
 16 10  1  0
M  END
$$$$
Mol_4752
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -4.0586   -1.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5028   -0.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4314    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0183    0.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4624    1.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0221    1.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9507    0.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5066    2.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4352    0.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9911    2.2384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3638   -0.3328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8079   -1.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3234   -1.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7676   -3.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3948   -0.7632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897   -0.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16  4  1  0
 15  7  1  0
M  END
$$$$
Mol_4753
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -5.5903    1.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1438    1.4494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0768    0.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4400   -0.5196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6303    0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2507    2.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1958    2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5754    4.0912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0219    4.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2628    1.5858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7094    1.9826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0889    3.4338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8833    0.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5633   -0.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9428   -1.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3894   -2.1104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1685   -1.5091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7689   -3.5616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1241   -2.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5707   -2.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6377   -3.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0842   -3.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4638   -1.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3968   -0.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9502   -0.9197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 11 12  1  0
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 16 18  1  0
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 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 14  5  1  0
 25 20  1  0
 25 13  1  0
M  CHG  2  16   1  18  -1
M  END
$$$$
Mol_4754
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.2553    2.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7801    2.5344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2778    1.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2507   -0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7483   -1.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7212   -2.5759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2732   -1.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3003   -0.5641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8026    0.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8298    1.9910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6454    1.7194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6183    2.8611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6007    2.8022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1160    4.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1478    0.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6230    0.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958    1.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3817    2.1366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0710    0.9044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1253   -1.3791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1524   -2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6772   -2.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1749   -0.8357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0370   -3.5682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9968   -4.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3499   -4.0077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 11 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 16 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
  9  3  1  0
 23 15  1  0
 23  8  1  0
 26 21  1  0
M  CHG  2  12   1  14  -1
M  END
$$$$
Mol_4755
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
    1.9875    3.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0200    2.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4325    2.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6308    1.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6725    0.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0416   -0.4947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4286   -1.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6546    0.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4106   -1.1077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5263   -0.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9449   -0.5561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5057   -1.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6330    0.7767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1133    0.5341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3399   -0.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2534   -2.4462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9998   -1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  5 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 13  2  1  0
 17 15  1  0
 17 11  1  0
M  END
$$$$
Mol_4756
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -0.8176   -2.6748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5721   -1.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0721   -1.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8265   -0.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0810    1.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5810    1.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8355    2.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6645    2.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4190    1.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6735   -0.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1735   -0.0664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4390   -1.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5812    0.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7336   -0.5088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8265   -0.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0721   -1.3732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 10 15  1  0
 15 16  1  0
 15  2  1  0
 15  6  1  0
 11  9  1  0
M  END
$$$$
Mol_4757
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
  -13.0525   -0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7461    0.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4546   -0.2715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1482    0.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8566   -0.2973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5502    0.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2587   -0.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9523    0.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6607   -0.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3543    0.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0628   -0.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2436    0.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5352   -0.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8416    0.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1331   -0.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1183   -1.9257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4395    0.3113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0375    0.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0523    1.7855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3290   -0.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6354    0.2599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
M  END
$$$$
Mol_4758
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
    3.7500   -0.7313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5030    0.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6926    1.1351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1169    0.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9203    2.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5342    2.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6554    1.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4588    0.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9274   -0.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1240   -1.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5101   -2.1795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3578   -1.6796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7067   -3.6666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0656   -2.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6412   -2.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0274   -2.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2240   -0.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6101   -0.2269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0344    0.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6483   -0.4597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8920    2.7901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4668    4.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0327    4.2686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 10 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
  7 22  1  0
 22 23  1  0
 23 24  1  0
  9  4  1  0
 21 15  1  0
 24  6  1  0
 21  8  1  0
M  CHG  2  11   1  13  -1
M  END
$$$$
Mol_4759
     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -3.5336   -0.5961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2476    0.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3985    1.3076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8391    0.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5814    2.3389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1728    2.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9781    1.8926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7204    0.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6882   -0.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9459   -1.5785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3544   -2.0942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6121   -3.5719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1808   -1.5597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2050   -2.5405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6136   -2.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7645   -2.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1730   -2.4711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4307   -0.9934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2798   -0.0314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8713   -0.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2487    2.6899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8830    4.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3865    4.2465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 10 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
  7 21  1  0
 21 22  1  0
 22 23  1  0
  9  4  1  0
 20 15  1  0
 23  6  1  0
 20  8  1  0
M  CHG  2  11   1  13  -1
M  END
$$$$
Mol_4760
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -5.8700    0.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4955    1.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2881    0.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5163   -0.8061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9136    0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7464    2.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3718    2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2046    4.3335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8355    1.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2101    2.5532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3773    4.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6683    0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7063   -0.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8735   -1.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2480   -2.2296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1055   -1.7465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4153   -3.7202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3338   -2.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7084   -1.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9157   -2.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2903   -2.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4575   -0.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8321   -0.1172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2502    0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8756   -0.4281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 14 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 13  5  1  0
 25 19  1  0
 25 12  1  0
M  CHG  2  15   1  17  -1
M  END
$$$$
Mol_4761
     RDKit          2D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -4.7968    2.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9818    1.3843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7852    0.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9702   -1.0088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7736   -1.9133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9587   -3.4019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3403   -3.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3920   -1.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1954   -2.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1862   -1.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3828   -2.5543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3293   -2.2845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1978   -4.0428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3713   -0.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7529    0.4228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9495   -0.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9481   -1.4659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3311    0.1023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9379    1.9114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7413    2.8159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3597    2.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1747    0.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2070    0.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4036    1.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6227    3.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1518    4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6128    4.3104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 10 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 15 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 21 25  1  0
 25 26  1  0
 26 27  1  0
 24  3  1  0
 23  8  1  0
 22 14  1  0
 27 20  1  0
M  CHG  2  11   1  13  -1
M  END
$$$$
Mol_4762
     RDKit          2D

 36 39  0  0  0  0  0  0  0  0999 V2000
   -8.3442    1.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8872    0.4954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4214    0.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4126    1.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9469    0.9685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9381    2.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3951    3.5073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4723    1.7601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4636    2.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0022    2.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4593    1.1230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9251    0.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3821   -0.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479   -0.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3049   -2.3714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2961   -3.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7532   -4.9102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8304   -3.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9075   -1.4158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3996    1.5961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9338    1.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4855    4.4534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0110    3.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5540    5.0905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4898   -0.4602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4986   -1.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0415   -2.9990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.9644   -1.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9731   -2.3619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
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 21 22  1  0
 14 23  1  0
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 23 25  1  0
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 26 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
  5 31  2  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 32 35  2  0
 35 36  1  0
 35  3  1  0
 29 10  1  0
 26 12  1  0
 21 13  1  0
M  END
$$$$
Mol_4763
     RDKit          2D

 75 83  0  0  0  0  0  0  0  0999 V2000
    2.7740    5.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8683    3.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8480    5.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6082    3.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7266    3.8645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9866    3.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3214    3.7350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5815    2.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5067    1.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7667    0.6092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4764
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4765
     RDKit          2D

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M  END
$$$$
Mol_4766
     RDKit          2D

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M  END
$$$$
Mol_4767
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4768
     RDKit          2D

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    3.8514   -3.0434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6384   -2.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8858    0.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3502   -1.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8176   -1.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2819   -3.0342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
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 13 14  2  0
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 10 20  1  0
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 27 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  2  0
  5 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 34  3  1  0
 20  7  1  0
 31 25  1  0
 19 11  1  0
M  END
$$$$
Mol_4769
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -4.7932   -0.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4424    0.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2021   -0.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8514    0.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3889   -0.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7396    0.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8501    1.5346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9799   -0.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3306   -0.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
M  END
$$$$
Mol_4770
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.9488   -3.7532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4765   -2.3491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5243   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0520    0.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5318    0.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0595    1.8633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4840   -0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0998    1.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6275    2.7773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6200    1.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3322    2.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1955    3.6912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8120    2.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3397    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -0.5212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0923   -0.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0445   -1.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5168   -2.8392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9152   -1.9253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3950   -2.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3472   -1.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8271   -1.2564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8195    0.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8039    1.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2940    0.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  4  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 15 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 17  3  1  0
 16 10  1  0
 23 14  1  0
M  END
$$$$
Mol_4771
     RDKit          2D

 35 38  0  0  0  0  0  0  0  0999 V2000
   -8.2911    0.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2880   -0.8037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8206   -0.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3563    0.9337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8889    1.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4246    2.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9572    2.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3463    4.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1454    4.1944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4565    2.7270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8264    2.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9824    0.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    0.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5664    0.8943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9363    0.2835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4104    2.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6244    3.2672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4685    4.7591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0404    2.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8430    1.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0007    0.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2124   -0.3963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0547   -1.8880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3159   -2.4973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2677   -2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1101   -4.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3231   -5.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6938   -4.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9068   -5.4175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8514   -3.0434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6384   -2.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8858    0.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3502   -1.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8176   -1.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2819   -3.0342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  2  0
 10 20  1  0
 20 21  1  0
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 23 24  2  0
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 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  2  0
  5 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 34  3  1  0
 20  7  1  0
 31 25  1  0
 19 11  1  0
M  END
$$$$
Mol_4772
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
    6.4343    1.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5919    0.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0959    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4422    1.8334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2536   -0.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7575   -0.6489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9152   -1.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5809   -1.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4232   -3.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2346   -0.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7306   -0.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3843    1.0279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8803    1.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5340    2.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7227   -0.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
M  END
$$$$
Mol_4773
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.1112   -3.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3753   -1.5909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7714   -0.6239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1822   -1.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3289   -0.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0648    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6540    1.8196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5073    0.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9034    1.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0502    0.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4609    0.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6077   -0.0621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
  8  3  1  0
M  END
$$$$
Mol_4774
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -4.6206   -0.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3119    0.6262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0227   -0.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7141    0.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5751   -0.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5558   -1.6740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8838    0.5590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1730   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4816    0.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
M  END
$$$$
Mol_4775
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -4.2378    1.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8576    1.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6588    0.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2786    1.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9202    0.3916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3004    0.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4991    0.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8794    0.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8403   -0.7831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6416   -1.6848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8230   -3.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7387   -1.0974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  3  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
M  END
$$$$
Mol_4776
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.7500    3.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15  2  1  0
 15  9  1  0
M  END
$$$$
Mol_4777
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -4.0827   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7837    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7837    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4846   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1856    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1856    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4778
     RDKit          2D

 41 46  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_4779
     RDKit          2D

 38 42  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_4780
     RDKit          2D

 39 44  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_4781
     RDKit          2D

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M  END
$$$$
Mol_4782
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4783
     RDKit          2D

 34 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4784
     RDKit          2D

 49 55  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_4785
     RDKit          2D

 26 31  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4786
     RDKit          2D

 26 31  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
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 25 26  2  0
  6  2  1  0
 18  8  1  0
 25  3  1  0
 23  5  1  0
 17 10  1  0
 22 11  1  0
M  END
$$$$
Mol_4787
     RDKit          2D

 36 42  0  0  0  0  0  0  0  0999 V2000
   -3.7468    0.2635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3683   -0.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2116   -0.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
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  5  6  1  0
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 10 11  1  0
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 34 29  1  0
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M  END
$$$$
Mol_4788
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.5125   -2.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2137   -1.0189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7068   -0.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4074    1.1869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2994    2.1123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  4  5  1  0
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  5  7  1  0
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  8  9  1  0
  9 10  2  0
  9 11  1  0
  8  2  1  0
M  CHG  2   2   1  11  -1
M  END
$$$$
Mol_4789
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.5076    0.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1561    1.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9168    0.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1405   -0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1203   -2.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3755   -1.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1254   -3.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0052    1.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0278    3.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7786    0.7022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6177    1.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  3  1  0
 13  8  1  0
M  END
$$$$
Mol_4790
     RDKit          2D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -4.3148    1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1860    0.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9429   -1.5378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2318    2.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5312   -0.6116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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 21 13  1  0
 21  6  1  0
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M  END
$$$$
Mol_4791
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -7.6407    0.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7020   -0.8284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 21  7  2  0
 18  9  1  0
M  END
$$$$
Mol_4792
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -7.8220    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8200   -1.0454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9902   -1.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22  7  2  0
 19  9  1  0
M  END
$$$$
Mol_4793
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4794
     RDKit          2D

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M  END
$$$$
Mol_4795
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4796
     RDKit          2D

 75 83  0  0  0  0  0  0  0  0999 V2000
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 45 38  1  0
M  END
$$$$
Mol_4797
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    1.8750    3.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250    2.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3750   -1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  4  7  1  0
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  7 10  1  0
 10 11  1  0
 11 12  1  0
M  END
$$$$
Mol_4798
     RDKit          2D

 74 82  0  0  0  0  0  0  0  0999 V2000
   14.6911   -3.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9118   -2.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7373   -1.0703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7835    1.3464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2137    1.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4344    3.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2599    4.1454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4799
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    0.9903    3.8492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9085    2.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3404    1.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2587    0.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6906   -1.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6088   -2.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -1.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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  5  7  1  0
  7  8  1  0
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  9 10  1  0
 10 11  1  0
 11 12  1  0
M  END
$$$$
Mol_4800
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -6.8792    0.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7102   -1.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0173   -0.0478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  3  4  1  0
  4  5  1  0
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 10 11  1  0
 11 12  1  0
 11 13  1  0
M  END
$$$$
Mol_4801
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
    3.8768    0.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8079   -0.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
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  7  9  1  0
M  END
$$$$
Mol_4802
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4803
     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4804
     RDKit          2D

 54 60  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4805
     RDKit          2D

 62 69  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4806
     RDKit          2D

 94104  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4807
     RDKit          2D

 66 73  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4808
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
  3  4  1  0
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  7  8  2  0
  7  9  1  0
M  END
$$$$
Mol_4809
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.9220   -0.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  2  1  0
 13  5  1  0
M  END
$$$$
Mol_4810
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -1.2731    3.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  4  1  0
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M  END
$$$$
Mol_4811
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -4.3640   -0.5064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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 16  4  1  0
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M  END
$$$$
Mol_4812
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.0428    2.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4813
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -1.2917   -3.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7333    1.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7025   -1.6340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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 16  2  1  0
M  END
$$$$
Mol_4814
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -3.0041   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  6  1  0
M  END
$$$$
Mol_4815
     RDKit          2D

 30 29  0  0  0  0  0  0  0  0999 V2000
  -18.8367   -0.3387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4816
     RDKit          2D

 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4817
     RDKit          2D

 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4818
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4819
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4820
     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4821
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4822
     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4823
     RDKit          2D

 34 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4824
     RDKit          2D

 32 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4825
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4826
     RDKit          2D

 45 51  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4827
     RDKit          2D

 43 49  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4828
     RDKit          2D

 42 48  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4829
     RDKit          2D

 32 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4830
     RDKit          2D

 33 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4831
     RDKit          2D

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M  CHG  1   2   1
M  END
$$$$
Mol_4832
     RDKit          2D

 33 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4833
     RDKit          2D

 33 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4834
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4835
     RDKit          2D

 25 30  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4836
     RDKit          2D

 46 52  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4837
     RDKit          2D

 26 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4838
     RDKit          2D

 30 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4839
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4840
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4841
     RDKit          2D

 20 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4842
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4843
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4844
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 18  9  1  0
M  END
$$$$
Mol_4845
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4846
     RDKit          2D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4847
     RDKit          2D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4848
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4849
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4850
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4851
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4852
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4853
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4854
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4855
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4856
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    1.0663   -2.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -0.7412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9944    0.2757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3679    1.6386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1219    1.4640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4162   -0.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7791   -0.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0031    0.2339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  6  2  2  0
M  END
$$$$
Mol_4857
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.9274    0.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6736   -0.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7598   -1.5085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3336    0.6631    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9202   -0.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2602    0.5139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5140   -0.3095    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
M  END
$$$$
Mol_4858
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -1.1250    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3750    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3750   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  3  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  4 10  1  0
 10 11  1  0
 10 12  1  0
M  END
$$$$
Mol_4859
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -6.5810   -0.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1937    0.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9939    1.8340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0061   -0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6187    0.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4311   -0.9150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0438   -0.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1438   -1.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311   -0.6907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8080   -1.4778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9512   -0.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3809    0.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1680    2.1575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8852    0.7670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14  9  1  0
M  END
$$$$
Mol_4860
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -3.2986    0.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1342   -0.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7331   -0.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5238   -1.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6908   -0.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1392   -0.5022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1551    1.2891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429    1.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  3  1  0
M  END
$$$$
Mol_4861
     RDKit          2D

  2  1  0  0  0  0  0  0  0  0999 V2000
   -0.7500    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
M  END
$$$$
Mol_4862
     RDKit          2D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
M  END
$$$$
Mol_4863
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -4.2551   -0.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8948    0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6672   -0.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069    0.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207   -0.6465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2810   -0.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5085   -0.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    1.4796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
M  END
$$$$
Mol_4864
     RDKit          2D

 14 16  0  0  0  0  0  0  0  0999 V2000
   -1.2289    1.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1736    0.9112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4143   -0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8169   -1.1012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9787   -0.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7380    1.3281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3355    1.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2157   -0.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7475   -1.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9094   -2.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6550   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9882   -0.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3908    0.4943    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6315    1.9748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
 12 13  2  0
 13 14  1  0
  7  2  1  0
 12  2  1  0
 11  4  1  0
M  END
$$$$
Mol_4865
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -2.8157    0.4537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7770   -0.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3205   -0.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8257   -1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1002   -0.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    1.0099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2456    1.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  3  2  0
M  END
$$$$
Mol_4866
     RDKit          2D

  8  9  0  0  0  0  0  0  0  0999 V2000
   -2.5513   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1640   -0.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9644    1.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4229    1.9296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6106    1.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4110   -0.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114   -1.9599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0237   -1.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  2  1  0
  8  6  1  0
M  END
$$$$
Mol_4867
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.8250   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6742    1.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7882    1.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9610    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9610   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7882   -1.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6742   -1.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  2  1  0
M  END
$$$$
Mol_4868
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -1.5350   -2.9294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3120   -1.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4852   -0.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2622    0.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4353    1.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661    1.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3070    0.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7031    1.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8762    0.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2723    0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6533   -1.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0840   -0.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  7 12  2  0
 12  2  1  0
M  END
$$$$
Mol_4869
     RDKit          2D

  3  3  0  0  0  0  0  0  0  0999 V2000
    0.8660   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4330    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4330   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  1  1  0
M  END
$$$$
Mol_4870
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.2500    0.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.7887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.7887    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.2887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.7887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    0.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.4613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.4613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  3  7  1  0
  7  8  1  0
  7  9  1  0
M  END
$$$$
Mol_4871
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
    2.4223    1.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3475    0.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7161   -0.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0848   -2.2762    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0961    1.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1709   -0.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6144    0.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6893   -0.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  3  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
M  END
$$$$
Mol_4872
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -4.2336   -0.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8768    0.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6444   -0.6157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2877    0.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1633    1.5188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9447   -0.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3014   -0.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5338   -1.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4259    1.3033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  7  9  1  0
M  END
$$$$
Mol_4873
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    1.9598    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3858   -1.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3858   -1.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9598    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3858    1.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3858    1.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  1  1  0
M  END
$$$$
Mol_4874
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -2.0785    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7794    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
M  END
$$$$
Mol_4875
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
   -9.1760   -0.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8014    0.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5941   -0.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2195    0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0122   -0.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6376   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2630    0.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1116    0.9938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3188    0.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6934    0.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9007   -0.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2753    0.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4825   -0.4762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8571    0.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0644   -0.7660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  3  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
M  END
$$$$
Mol_4876
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -4.4549    1.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5459   -0.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0581    0.1293    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1492   -1.0639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3387   -0.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2476   -2.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9176    0.5104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4055    0.7009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9844    2.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3144   -0.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
M  END
$$$$
Mol_4877
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    6.5924    0.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3212   -0.3714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9960    0.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7248   -0.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3996    0.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1284   -0.5582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1968    0.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4680   -0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7932    0.0512    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -5.1183    0.7540    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.4960   -1.2740    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0903    1.3763    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
M  END
$$$$
Mol_4878
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.5110   -2.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5458   -0.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9312   -1.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8963   -0.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3733   -0.3339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3845    1.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0925    1.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0577    0.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0209    1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3573   -0.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  8  2  1  0
M  END
$$$$
Mol_4879
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -2.6305   -1.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1021   -0.4064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5764   -0.1298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0858    1.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7786    1.8293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5121    1.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0405    2.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9864    0.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4841   -0.6264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5074   -1.7649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9584   -0.9029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4958   -0.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8113   -1.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  6 12  1  0
 12 13  1  0
 13  2  1  0
M  END
$$$$
Mol_4880
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.1863   -2.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1458   -0.7725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3351    0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8332    1.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    1.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9089    0.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5046   -0.4257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6460    0.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0596    0.0456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3317   -1.4295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2010    1.0188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  6  2  1  0
M  CHG  2   9   1  11  -1
M  END
$$$$
Mol_4881
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
    3.0787   -0.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8975    0.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7163    1.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750    0.5283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8562    1.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8851   -0.9569    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2763   -1.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
M  END
$$$$
Mol_4882
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
    4.1031    0.6608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8670   -0.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5131    0.4567    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2395    1.9315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2476    2.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8933    0.7732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3681    0.4996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8686   -0.9144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3424    1.6401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1949   -0.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0007   -1.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3864   -2.3206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1895   -2.6594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  6 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 10  3  1  0
M  CHG  2   7   1   9  -1
M  END
$$$$
Mol_4883
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.7519    0.6640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3712    0.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6293   -0.7389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5984    1.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1369    1.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0064   -0.4685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2792   -1.2413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5913   -0.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6177    0.9855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9297    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2154    0.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1889   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8769   -1.2870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3872   -1.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249   -2.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8487   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9793    0.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2649    1.5503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
  6 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 14  2  1  0
 17  4  1  0
 13  8  1  0
M  END
$$$$
Mol_4884
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -3.8971   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  2  0
 11 12  1  0
 11  3  1  0
M  END
$$$$
Mol_4885
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.3000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  2  0
 10  2  1  0
M  END
$$$$
Mol_4886
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -4.6875    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083    0.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2531   -0.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7739   -0.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7053   -0.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1845    0.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335   -1.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9356    1.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6637    0.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  3  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
M  END
$$$$
Mol_4887
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -3.8971    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.3462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.8462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -2.5962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -2.5962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 10  3  1  0
M  CHG  2  11   1  13  -1
M  END
$$$$
Mol_4888
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.8748   -0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4825    0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3029   -0.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0893   -0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2689   -0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3020    1.4551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
M  END
$$$$
Mol_4889
     RDKit          2D

 10 12  0  0  0  0  0  0  0  0999 V2000
    0.4431   -1.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7699   -0.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1463    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3832   -0.8514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0808   -0.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4572   -1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4496    0.0041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6864    1.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2224    0.9687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1540    1.5649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
  3  4  1  6
  4  5  1  0
  5  6  1  6
  6  7  1  0
  8  7  1  1
  8  9  1  0
  9 10  1  6
  8  2  1  0
 10  3  1  0
  9  5  1  0
M  END
$$$$
Mol_4890
     RDKit          2D

  5  5  0  0  0  0  0  0  0  0999 V2000
    1.2760   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  1  1  0
M  END
$$$$
Mol_4891
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -5.7594    0.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5236   -0.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6421   -1.6579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1694    0.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9337   -0.3677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5795    0.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4610    1.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6563   -0.5728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0105    0.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2463   -0.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6005   -0.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8362   -0.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7189    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
M  END
$$$$
Mol_4892
     RDKit          2D

  6  6  0  0  0  0  0  0  0  0999 V2000
    2.3133   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8133   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0684    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4949    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4949   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0684   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  2  1  0
M  END
$$$$
Mol_4893
     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -4.9185   -3.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4084   -1.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3750   -0.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9317   -1.3679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4216    0.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2745    1.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2021    1.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1687    0.1256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6454    0.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1555    1.7997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6119   -0.7579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1018   -2.1685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0886   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0551   -1.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5987    0.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6851    1.5193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1851    1.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4277    2.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
  6 16  1  0
 16 17  1  0
 16 18  1  0
 16  5  1  0
M  END
$$$$
Mol_4894
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    6.3757    0.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1160   -0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7809    0.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5212   -0.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1861    0.1223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0736   -0.6921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087   -0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4840    1.4898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6684   -0.8226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0034   -0.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2632   -0.9532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0788    1.3592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
M  END
$$$$
Mol_4895
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.8129   -2.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0086   -1.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5062   -1.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3278    0.1061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8254    0.0221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6517    1.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1540    1.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6675    0.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1652    0.3579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9867   -0.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8413    1.6969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  8  2  1  0
M  CHG  4   4   1   5  -1   9   1  11  -1
M  END
$$$$
Mol_4896
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -3.3863   -0.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0220    0.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -0.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5644    0.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7068    1.5470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7864   -0.8161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1507   -0.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
M  END
$$$$
Mol_4897
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
    4.3939    0.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3323   -0.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7192   -1.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8837    0.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8221   -0.7526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6264   -0.3631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6881   -1.4228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3012   -2.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1366   -1.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5235    0.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4619    1.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0133    1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8812    2.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4811    1.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 12  6  1  0
M  END
$$$$
Mol_4898
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.9808   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2308    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9808    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7308   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9808   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5192   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2692    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7692    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7692   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7692    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2692   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5192    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9808    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
  7 12  1  0
 12 13  2  0
 13  4  1  0
M  END
$$$$
Mol_4899
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.5607    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0607    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.5607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0607    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5607    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  2  1  0
M  END
$$$$
Mol_4900
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.5981   -1.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  2  2  0
M  END
$$$$
Mol_4901
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.5714    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0714   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1786   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9286    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1786    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
M  END
$$$$
Mol_4902
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    4.0715    1.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1029    0.5847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6267    0.8508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6582   -0.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1659   -1.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6421   -1.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8180   -0.0285    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7866   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2628   -0.9079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7705    0.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8019    1.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3257    1.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1505    1.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6582   -0.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3104   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 12  7  1  0
 15  8  1  0
M  END
$$$$
Mol_4903
     RDKit          2D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -3.5888   -1.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7276   -0.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9559   -1.7232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4561   -1.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2720   -0.3865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7717   -0.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5435   -1.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0433   -1.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7713   -0.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2711   -0.2857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9996    0.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4998    0.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7281    2.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2283    2.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4998    0.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9996    0.8746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0218    1.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3817    1.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1999   -0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2976   -1.1720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 16  2  1  0
 19  2  1  0
 15  5  1  0
 12  6  1  0
M  END
$$$$
Mol_4904
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.8333   -1.3453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0022    0.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3774    0.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5837   -0.1473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7958    1.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4206    0.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2518   -1.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1234   -1.6519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3298   -0.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7995   -1.0605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5390    0.2446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5263    1.3512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1610    0.7300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7858    1.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14  6  2  0
 13  9  1  0
M  END
$$$$
Mol_4905
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.8568   -0.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4879    0.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3345    1.5423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2724   -0.8287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0966   -0.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    1.2766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6189    1.8898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8344    1.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6810   -0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3121   -1.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1586   -2.5866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10  5  1  0
M  END
$$$$
Mol_4906
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.0970   -2.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0081   -1.2666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0234   -2.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2718   -0.4584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2037    1.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4674    1.8482    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8720    1.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    0.9222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7234    1.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9871    0.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9190   -0.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1827   -1.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5144   -0.8120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5825    0.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3188    1.4946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6764   -0.5763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
  8 16  1  0
 16  2  1  0
 15 10  1  0
M  END
$$$$
Mol_4907
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -3.7110    0.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3117    0.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0798   -1.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6805   -1.7627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4870   -0.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8864   -1.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0539   -0.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8220    1.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4227    1.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552    0.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1442    1.2012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  2  1  0
 10  5  1  0
M  END
$$$$
Mol_4908
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9  2  1  0
M  END
$$$$
Mol_4909
     RDKit          2D

  6  6  0  0  0  0  0  0  0  0999 V2000
    2.3133   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8133   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0684    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4949    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4949   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0684   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  2  1  0
M  END
$$$$
Mol_4910
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.6401   -1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.5844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135   -0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6401   -1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6317    1.9374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6317    1.9374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  8  2  1  0
M  END
$$$$
Mol_4911
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -3.9779   -0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6481   -1.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3821   -0.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    0.8769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1798    1.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2435    3.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1499    0.9872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4159    1.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2136   -0.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5433   -1.2056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6070   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0524   -1.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  2  0
 12  3  1  0
M  END
$$$$
Mol_4912
     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
   -9.8725   -0.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5444    0.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2765   -0.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9484    0.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6805   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3524    0.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0845   -0.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7565    0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5115   -0.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8395    0.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1075   -0.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4355   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4957    1.4974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7034   -0.8029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0315   -0.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2994   -0.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917    1.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
M  END
$$$$
Mol_4913
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -3.2986    0.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1342   -0.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7331   -0.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5238   -1.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6908   -0.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1392   -0.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1551    1.2891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429    1.2126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  3  1  0
M  END
$$$$
Mol_4914
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
M  END
$$$$
Mol_4915
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -2.6401   -0.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135   -0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6401   -0.6127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  2  1  0
M  END
$$$$
Mol_4916
     RDKit          2D

 10 12  0  0  0  0  0  0  0  0999 V2000
    2.2928   -0.8329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3852    0.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9898    1.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0351    0.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8404   -1.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6673   -1.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0626   -0.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9703    0.7616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5073    1.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3359    0.0567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  5  1  1  0
 10  6  1  0
  9  3  1  0
M  END
$$$$
Mol_4917
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.1856   -2.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1927   -1.0536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8972   -0.2974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5946   -1.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7008   -0.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0034   -1.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2989   -0.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6015   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2918    1.2271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6937    1.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6088    1.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9043    1.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2069    1.9464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  5 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12  3  1  0
M  END
$$$$
Mol_4918
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.2000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500   -1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
  9  2  1  0
M  END
$$$$
Mol_4919
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.2975   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5475   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2975    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0475   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8342    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2608    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2608   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8342   -1.2135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  4  1  0
M  END
$$$$
Mol_4920
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -6.2625    1.5389    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9400    0.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2322    2.1537    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6478   -0.4914    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6175    0.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3433    0.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    0.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9724   -1.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3501   -1.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6243   -1.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0135   -1.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9808   -0.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4800   -0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1878    0.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3964    2.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    1.9691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1894    0.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7329    0.2876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2467   -2.0836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5692   -1.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
  8 19  1  0
 19 20  2  0
 20  5  1  0
 18 10  1  0
 17 12  1  0
M  END
$$$$
Mol_4921
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.6042   -1.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3906   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0360   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9176    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0360    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3906    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6042    1.6317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  2  1  0
M  END
$$$$
Mol_4922
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -5.7931   -0.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4765    0.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958   -0.2646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8792    0.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5985   -0.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7181    0.3920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9989   -0.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9630   -1.8884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3155    0.3299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5962   -0.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3513    1.8295    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
M  END
$$$$
Mol_4923
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
  -11.0479    0.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5887   -0.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5580    0.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0989    0.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0682    1.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6090    1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1806   -0.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7214   -0.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2930   -1.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8339   -2.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1968   -1.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6560   -1.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6867   -0.3732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1458   -0.7209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1765    0.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6357    0.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6664    1.1110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1255    0.7632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1562    1.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5539   -0.6743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
M  END
$$$$
Mol_4924
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.3052   -0.8467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9481   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6673    1.2657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    1.4541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4598    0.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -0.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4269   -1.6003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9132    0.9519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6334   -0.9301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  2  0
  9  2  1  0
M  END
$$$$
Mol_4925
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
   -9.0933   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933   -0.3500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
M  END
$$$$
Mol_4926
     RDKit          2D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.9796   -0.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5994    0.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5994   -0.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9796    0.1365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
M  END
$$$$
Mol_4927
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.4816   -2.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9537   -1.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3830   -0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3921    0.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9683    1.3272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0793    0.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4206    0.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3096   -1.0802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7334   -0.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9522   -1.4824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7243    0.8919    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2950    1.3469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8229    2.7706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
  6  2  2  0
 12  7  1  0
M  END
$$$$
Mol_4928
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
    3.7037   -0.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2654    0.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8272    0.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2609   -0.5034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6991   -0.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7872   -1.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0492    1.3813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
M  END
$$$$
Mol_4929
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -5.6856    0.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4881    1.7591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1071    1.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9236   -0.3151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5426   -0.9005    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3450    0.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0360   -0.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3741   -2.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8685   -2.1742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4539   -0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8720   -0.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1575    1.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250    2.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6069    1.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3214    0.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1211   -1.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5022   -0.6329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  4 16  1  0
 16 17  2  0
 17  1  1  0
 15  7  1  0
 15 10  1  0
M  END
$$$$
Mol_4930
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -5.3838    0.1540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9530    0.6043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6275    2.0685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8476   -0.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1731   -1.8740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4168    0.0405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3114   -0.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1194   -0.5232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4449    0.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8757    1.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9810    0.3773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4119    0.8276    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6556   -1.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2247   -1.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  8  1  0
M  END
$$$$
Mol_4931
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    5.5916   -1.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0916   -1.2405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3505    0.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8505    0.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -1.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -1.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1494    0.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6493    0.1047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4082   -1.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9082   -1.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6671   -2.4933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3905    1.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1316    2.6925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3727    3.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1095    1.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
  7 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  2  0
 15  4  1  0
M  END
$$$$
Mol_4932
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.0115   -0.3231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7031   -1.0567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4136   -0.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4324    1.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1429    1.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1655    1.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4550    2.0082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1843   -0.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4926   -0.9915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5114   -2.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1053   -1.0241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  2  0
 11  3  1  0
M  END
$$$$
Mol_4933
     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
    5.4907   -1.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7852    0.1799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5787    1.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2860    0.2307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4925   -1.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9933   -0.9914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2877    0.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2114    0.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9170    1.7068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4161    1.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1217    3.0813    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2097    0.4847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5041   -0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2977   -2.1119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0050   -0.8898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2994   -2.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5938   -3.5372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0813    1.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5804    1.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  3  0
  7 18  1  0
 18 19  2  0
 19  4  1  0
 15  8  2  0
M  END
$$$$
Mol_4934
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -5.9289    2.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6824    1.3388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7818   -0.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1276   -0.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5353   -0.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1894   -0.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9429   -1.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4030   -0.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6495   -1.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9953   -0.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3222   -1.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3976   -0.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7353    1.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4348    2.3449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2506    0.8040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 10  1  0
M  END
$$$$
Mol_4935
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.0314   -1.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8178   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6088   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4904    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9904    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6088    1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8178    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0314    1.6317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  7  2  1  0
M  END
$$$$
Mol_4936
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.6401   -0.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6401   -0.2964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.2145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  7  2  1  0
M  END
$$$$
Mol_4937
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.0991   -0.5789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000   -0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5320   -0.9790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1329   -0.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1271   -1.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2905   -0.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7403   -0.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7495    1.0939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2517    1.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6951    2.1752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
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  9 10  2  0
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M  END
$$$$
Mol_4938
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.2546   -1.4205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0977   -0.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  6  1  0
M  END
$$$$
Mol_4939
     RDKit          2D

 10 12  0  0  0  0  0  0  0  0999 V2000
    1.9477   -2.1127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9136   -1.0261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7616    1.8516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3376    0.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  8  9  1  0
  9 10  1  0
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  7  3  1  0
 10  8  1  0
M  END
$$$$
Mol_4940
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.5981   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2990    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  2  1  0
M  END
$$$$
Mol_4941
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.9904   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4904   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6088    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6088   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  2  1  0
M  END
$$$$
Mol_4942
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.0069    0.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6849   -0.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4943
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -5.9132   -0.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5063    0.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 15  1  0
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M  END
$$$$
Mol_4944
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.0314   -1.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8178   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6088   -1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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  4  5  2  0
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M  END
$$$$
Mol_4945
     RDKit          2D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.9796   -0.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5994    0.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9796    0.1365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
M  END
$$$$
Mol_4946
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4947
     RDKit          2D

  5  5  0  0  0  0  0  0  0  0999 V2000
    1.2760   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  2  0
  5  1  1  0
M  END
$$$$
Mol_4948
     RDKit          2D

 79 86  0  0  0  0  0  0  0  0999 V2000
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   -8.0299    2.8782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
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  8  7  1  1
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  9 10  1  6
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 11 12  1  1
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 11 17  1  0
 17 18  1  6
 18 19  1  0
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 22 23  2  0
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 28 29  1  0
 29 30  1  0
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 32 31  1  1
 32 33  1  0
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 38 39  1  6
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 41 42  1  0
 42 43  1  1
 43 44  1  0
 42 45  1  0
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 45 47  1  0
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 49 50  1  6
 38 51  1  0
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 30 66  1  0
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 19  8  1  0
 75 22  1  0
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 73 25  1  0
 70 26  1  0
 53 32  1  0
 64 55  1  0
 49 40  1  0
M  END
$$$$
Mol_4949
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.1263    1.4410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5408   -0.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5004   -1.0803    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9561   -0.7185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9973   -1.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4530   -1.4365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8675    0.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3232    0.3669    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7377    1.8085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3644   -0.7128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8263    1.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3706    0.7231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9080   -1.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  7 11  1  0
 11 12  2  0
  2 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 12  4  1  0
 20 15  1  0
M  CHG  2   8   1  10  -1
M  END
$$$$
Mol_4950
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -2.4491   -0.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9639   -0.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0394    0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4459    0.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0065   -0.8086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
M  END
$$$$
Mol_4951
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
   -5.9812    1.9532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5608    1.4713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2679    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8475   -0.4818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5546   -1.9530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1342   -2.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8413   -3.9061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7199    0.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2994    0.0254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8282    1.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5354    2.4857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2487    0.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7307    1.9530    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -0.8879    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6692    0.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0896   -0.4313    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1872   -1.3698    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1511    1.4711    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
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  4  8  1  0
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 10 12  1  0
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 15 17  1  0
 15 18  1  0
M  END
$$$$
Mol_4952
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
    6.0873   -1.5642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0368   -0.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3099    0.7282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7133    0.6409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4402   -0.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    0.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8436   -0.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4799    0.4663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7530   -0.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0765    0.3790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3496   -0.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6731    0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9462   -0.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2697    0.2044    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
M  END
$$$$
Mol_4953
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.2689    0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0893    0.0297    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3020   -1.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3029    0.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4825   -0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8748    0.2197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
M  END
$$$$
Mol_4954
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.5981   -1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  2  1  0
M  END
$$$$
Mol_4955
     RDKit          2D

  9 10  0  0  0  0  0  0  0  0999 V2000
    2.0652   -0.8492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1583    0.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0459    1.6541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4344    1.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1679    0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6023   -1.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8366   -1.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9973   -0.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9041    0.7625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  7  1  1  0
  9  4  1  0
M  END
$$$$
Mol_4956
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -2.0785    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7794    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
M  END
$$$$
Mol_4957
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
    2.6132    1.7707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5509    0.2720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2219   -0.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1596   -1.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1695   -2.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4362   -1.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3739   -0.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4460    0.7336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7795    2.0774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2956    1.8588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0449    0.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  3  1  0
 11  7  2  0
M  END
$$$$
Mol_4958
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -3.1182    0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9843    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2678   -1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5669    0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5669   -0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9843    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1182   -0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2678    1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
M  END
$$$$
Mol_4959
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
   10.1722    2.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6744    2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9961    1.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4983    1.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8201   -0.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3223   -0.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6440   -1.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1462   -1.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4680   -3.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0298   -3.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8493   -1.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3471   -1.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1666   -0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6644   -0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4839    0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9817    0.4415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8012    1.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2990    1.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1185    2.8726    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
M  END
$$$$
Mol_4960
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.8925    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8456    0.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2525   -1.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3919    0.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3449   -0.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1088   -0.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2623   -1.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5307   -0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1612    1.0413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6644    1.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10  6  2  0
M  END
$$$$
Mol_4961
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
    2.1664   -1.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8203   -0.8588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3601   -1.7845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8197   -1.4388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4595   -0.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7977    1.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3327    1.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1554    1.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7952    0.4185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8325    0.6412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
  9  2  1  0
 10  2  1  0
M  END
$$$$
Mol_4962
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.9274    0.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6736   -0.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7598   -1.5085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3336    0.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9202   -0.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2602    0.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5140   -0.3095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
M  END
$$$$
Mol_4963
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
    2.3133   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8133   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0684    1.2135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4949    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4949   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0684   -1.2135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    2.7626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5126    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    4.2626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    4.8116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  7  8  2  0
  8  9  2  0
  8 10  1  0
  8 11  1  0
  6  2  1  0
M  END
$$$$
Mol_4964
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.8748   -0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4825    0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3029   -0.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0893   -0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3020    1.4551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2689   -0.9563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
M  END
$$$$
Mol_4965
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.7193    1.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7173    0.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3478    0.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0379    2.3735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6573   -0.2075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1489   -0.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7572    1.3224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2488    1.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1321    0.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5238   -1.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0322   -1.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0910   -1.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5209   -2.8770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5586   -1.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7709   -2.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1421   -1.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3008    0.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0884    0.9023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2472    2.3939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  5 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 14  2  1  0
 18  2  1  0
 11  6  1  0
M  END
$$$$
Mol_4966
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -5.1962    0.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -1.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.6818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -1.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
M  END
$$$$
Mol_4967
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -3.2136   -1.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7149   -1.7729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0206   -0.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4780   -0.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2824   -1.6459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7810   -1.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4754   -0.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6710    1.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1724    0.9498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3680    2.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1306    2.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8249    0.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3236    0.7593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12  3  1  0
  9  4  1  0
M  END
$$$$
Mol_4968
     RDKit          2D

  4  3  0  0  0  0  0  0  0  0999 V2000
    1.9796   -0.1365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5994    0.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5994   -0.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9796    0.1365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
M  END
$$$$
Mol_4969
     RDKit          2D

  6  6  0  0  0  0  0  0  0  0999 V2000
    2.3133   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8133   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0684    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4949    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4949   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0684   -1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  2  1  0
M  END
$$$$
Mol_4970
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -3.4224   -0.6412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0351   -0.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8355    1.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4482    1.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7395    1.0702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5399   -0.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8474   -0.9869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3402   -1.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7275   -1.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9271    0.1540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3144    0.7244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
  7  2  1  0
 10  5  1  0
M  END
$$$$
Mol_4971
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
  -11.0437   -0.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7406    0.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4456   -0.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1426    0.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8476   -0.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5446    0.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2496   -0.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9465    0.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6515   -0.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6515    0.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9465   -0.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2496    0.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5446   -0.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8476    0.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1426   -0.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4456    0.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7406   -0.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0437    0.3156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
M  END
$$$$
Mol_4972
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.1492   -0.4401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6886   -0.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2542    1.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2064    1.6788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2325    0.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6931    0.9264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7981   -0.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8243   -1.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -1.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9  2  1  0
M  END
$$$$
Mol_4973
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
   -8.4041    3.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0896    2.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6622    1.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3476    0.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9202   -0.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6057   -1.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1783   -2.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8637   -3.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0654   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6379   -1.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -0.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9024   -1.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0153   -0.0397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4427   -0.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5556    0.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9830    0.0442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0959    1.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5233    0.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7814    2.5165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
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 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
M  END
$$$$
Mol_4974
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -2.6401   -0.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135   -0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6401   -0.6127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  2  1  0
M  END
$$$$
Mol_4975
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.7985   -0.4910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3812    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0977    1.4730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2473   -0.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1701   -0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4536    0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8709    1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0048    0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7213   -0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3040   -1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
M  END
$$$$
Mol_4976
     RDKit          2D

 10 13  0  0  0  0  0  0  0  0999 V2000
    3.0583   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1766    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1766    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1766   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1766   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8  1  1  0
  9  3  1  0
 10  4  1  0
 10  7  1  0
M  END
$$$$
Mol_4977
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -3.0715   -1.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6162   -1.8278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5737   -0.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9865    0.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4418    1.0564    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0560    1.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3568    3.2134    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5113    1.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9240   -0.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3793   -0.3980    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8815   -1.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2943   -2.5550    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 11  3  1  0
M  END
$$$$
Mol_4978
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.3705    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0367   -1.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1015   -2.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1015   -2.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0367   -1.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3705    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0367    1.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1015    2.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1015    2.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0367    1.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  9 10  1  0
 10 11  1  0
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 13 14  1  0
 14  1  1  0
M  END
$$$$
Mol_4979
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
    5.2800    3.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9557    2.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5253    1.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2010    0.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7706   -0.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6644    0.6637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7661    0.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0903   -1.2522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8723    1.2254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3027    0.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4089    1.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8394    1.3356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0846    3.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4463   -1.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5525   -2.8270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0158   -2.2653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3084   -3.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7389   -4.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  9 10  1  0
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 11 13  1  0
  5 14  1  0
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 16 17  1  0
 17 18  1  0
M  END
$$$$
Mol_4980
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -3.7500   -0.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -0.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.5774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.0774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.9226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.5774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -0.7217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -0.7217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  4  7  1  0
  7  8  2  0
  8  9  1  0
M  END
$$$$
Mol_4981
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.4772   -0.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2214   -0.9626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8831   -0.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8005    1.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5378    1.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7936    1.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7111   -0.4281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9669   -1.2485    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3727   -1.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9  3  1  0
M  END
$$$$
Mol_4982
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -3.8274   -1.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6711   -0.3916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8849    0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3010    0.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0872   -0.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2829   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4392    1.4401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0571    1.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0758    2.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8093    2.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0231    1.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8669   -0.3224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0807   -1.2037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4967   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3360   -2.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4181   -1.9753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
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  4  5  2  0
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 12 13  2  0
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 14 16  1  0
 14  6  1  0
M  END
$$$$
Mol_4983
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
   -7.2278   -1.5238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1545   -0.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4154    0.7870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8204    0.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5595   -0.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2254    0.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9645   -0.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6304    0.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6304   -0.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2254   -0.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5595    0.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8204   -0.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1545    0.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2278    1.5238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4154   -0.7870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
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 10 11  1  0
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 13 14  1  0
 14 15  2  0
 14 16  1  0
M  END
$$$$
Mol_4984
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.8542   -1.6772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5054   -0.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500   -1.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8459   -1.4539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6905   -2.6935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4971   -0.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9930    0.0090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6525    1.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1567    1.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4985
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4986
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
    7.2278   -1.5238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_4987
     RDKit          2D

 36 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4988
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4989
     RDKit          2D

 21 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4990
     RDKit          2D

 23 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_4991
     RDKit          2D

 21 25  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  6  7  1  0
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 16  2  1  0
 18  4  1  0
 18  7  1  0
 14  9  1  0
 21 11  1  0
M  END
$$$$
Mol_4992
     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -3.4718    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3965    0.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7084   -2.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
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 21 22  1  0
  8  3  1  0
 18  9  1  0
 22  5  1  0
 20  6  1  0
M  CHG  1  20   1
M  END
$$$$
Mol_4993
     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -6.0748   -0.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
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  8  3  1  0
 22 10  1  0
 21  5  1  0
 22 17  1  0
M  END
$$$$
Mol_4994
     RDKit          2D

 24 28  0  0  0  0  0  0  0  0999 V2000
   -0.3274    4.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
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 21  3  1  0
 15  6  1  0
 20  6  1  0
 12  7  1  0
 24  9  1  0
M  END
$$$$
Mol_4995
     RDKit          2D

 22 26  0  0  0  0  0  0  0  0999 V2000
    5.9154   -0.0224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19  3  1  0
 16  6  1  0
 18  6  1  0
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 22  9  1  0
M  END
$$$$
Mol_4996
     RDKit          2D

 24 28  0  0  0  0  0  0  0  0999 V2000
    0.6574    4.9381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16  6  1  0
 20  6  1  0
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 24  9  1  0
M  END
$$$$
Mol_4997
     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0
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  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  6 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
  8  3  1  0
 23 11  1  0
 22  5  1  0
 23 18  1  0
M  END
$$$$
Mol_4998
     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -1.1001   -3.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3938   -2.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1053   -2.3641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8116   -1.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3108   -0.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1037   -2.2640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0170    0.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5162    0.3826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2241    1.6059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9304    2.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    1.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9320    2.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0187    0.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4805    0.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2734    1.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7726    1.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4788    0.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6859   -1.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3922   -2.5142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1867   -1.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9556    0.3452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1621    1.8309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8129    2.4864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
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 11 13  1  0
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 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 17 21  1  0
 21 22  1  0
 22 23  1  0
 20  2  1  0
 13  4  1  0
 20 14  1  0
 23 16  1  0
M  END
$$$$
Mol_4999
     RDKit          2D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -5.2867    1.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7241    0.4656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2386    0.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3157    1.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8302    1.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2675   -0.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1904   -1.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6759   -1.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5987   -2.3153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0842   -2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2180   -0.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7807   -1.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2662   -1.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890   -0.7820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6746   -0.9899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6264    0.6085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1408    0.8164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5782    2.2069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9267    1.5501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7188    0.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0926    2.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  6 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  1  0
  8  3  1  0
 17 11  1  0
 21  5  1  0
 20 11  1  0
M  END
$$$$
Mol_5000
     RDKit          2D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -5.2867    1.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7241    0.4656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2386    0.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3157    1.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8302    1.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2675   -0.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1904   -1.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6759   -1.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5987   -2.3153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0842   -2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2180   -0.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7807   -1.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2662   -1.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890   -0.7820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6746   -0.9899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6264    0.6085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1408    0.8164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5782    2.2069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9267    1.5501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7188    0.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0926    2.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  6 11  1  0
 11 12  1  0
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 13 14  1  0
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 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  1  0
  8  3  1  0
 17 11  1  0
 21  5  1  0
 20 11  1  0
M  END
$$$$
Mol_5001
     RDKit          2D

 41 45  0  0  0  0  0  0  0  0999 V2000
   -4.7467    3.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5900    2.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1846    2.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0279    1.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2766    0.1490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3775    2.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5342    1.1974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9397    1.7216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1884    3.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0317    4.1559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5938    3.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8425    5.2043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7505    2.7701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1559    3.2943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5018    1.2908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6585    0.3358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4097   -1.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5664   -2.0984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0043   -1.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8476   -0.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4422   -1.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1935   -2.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3502   -3.6711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7556   -3.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9123   -4.1019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9278   -3.5210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0964    0.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8387    0.5798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.4008    1.0106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.9629    1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7142    2.9206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.4604   -1.5171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.1470   -3.4271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4928   -1.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3361   -2.3787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  8  7  1  1
  8  9  1  0
  9 10  1  6
  9 11  1  0
 11 12  1  1
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 20 21  1  0
 21 22  2  0
 22 23  1  0
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 24 25  1  0
 23 26  1  0
 26 27  1  0
 27 28  1  0
 29 20  1  1
  2 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 33 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 29  8  1  0
 40 31  1  0
 29 15  1  0
 24 19  1  0
 28 22  1  0
M  END
$$$$
Mol_5002
     RDKit          2D

 20 24  0  0  0  0  0  0  0  0999 V2000
    5.3829   -1.1377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9071   -0.8689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9365   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4608   -1.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9557   -0.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4422   -0.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7110    1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4212    2.2247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0545    2.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0251    1.3499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5008    1.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4715    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9263    0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4020    0.5435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
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 13 16  1  0
 16 17  1  0
 17 18  1  0
  8 19  1  0
 19 20  1  0
 20  2  1  0
 15  5  1  0
 19  5  1  0
 15 10  1  0
 18 12  1  0
M  END
$$$$
Mol_5003
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -6.0443   -1.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3926   -0.3230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8967   -0.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0525   -1.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5566   -1.3406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7491    1.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2450    1.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0892    2.3791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5910    0.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5015    1.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7916    2.6434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5004
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5005
     RDKit          2D

 34 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5006
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5007
     RDKit          2D

 40 41  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_5008
     RDKit          2D

 44 46  0  0  0  0  0  0  0  0999 V2000
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   11.5984   -0.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4411   -2.2843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.0483   -0.8847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -13.3327    2.3491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8668    0.4778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5708    3.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1152    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7012    4.9369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0736    2.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.0021    1.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6931   -0.2983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
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 10 11  1  0
 11 12  2  0
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 14 15  2  0
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 21 22  1  0
 22 23  1  0
 22 24  1  0
 22 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  1  0
  2 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  1  0
 35 37  1  0
 35 38  1  0
 38 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 42 43  1  0
 42 44  1  0
 29 21  1  0
 44 32  1  0
 42 34  1  0
M  END
$$$$
Mol_5009
     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
   -9.6699    0.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2933    0.6565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0890   -0.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7124    0.3582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5081   -0.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1315    0.0599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9272   -0.8343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5506   -0.2384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6537   -1.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0303   -0.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2025    0.9534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9981    1.8476    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5790    1.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7512    3.0394    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7834    0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1599    1.2511    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6112   -0.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8155   -1.7291    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2346   -1.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0624   -2.9209    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 19 10  1  0
M  END
$$$$
Mol_5010
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -6.3052   -2.9780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4914   -1.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1758   -0.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3621    0.8769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8639    0.8022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5483    2.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0465    2.2117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7346    3.3971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0502    2.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3074   -1.0553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1249    0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8919    2.2588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9933   -1.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3089   -3.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
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  5  9  1  0
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 30 31  1  0
 13 32  1  0
 32 33  1  0
 33 34  1  0
 33  2  1  0
 32  5  1  0
 30 11  1  0
 30 16  1  0
 27 17  1  0
M  END
$$$$
Mol_5011
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -3.4416    1.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4870    0.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0117   -1.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0571   -2.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5778   -2.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0531   -0.8779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1213   -1.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3717   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7770   -1.5074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9702    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4496    0.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8780    1.9597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4716    0.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4830    1.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    3.0896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9623    1.4361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0077    0.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
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 13 14  1  0
 14 15  1  0
 14 16  1  0
  6 17  1  0
 16  2  1  0
 17  2  1  0
 13  6  1  0
M  END
$$$$
Mol_5012
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
  -11.6936   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3896    0.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0956   -0.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7915    0.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4976   -0.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1935    0.4099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8995   -0.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5955    0.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3015   -0.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0025    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2965   -0.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6005    0.3576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8945   -0.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1986    0.3401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4825   -1.9185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7966    0.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1006    1.0640    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.5378   -0.9813    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0553    1.6267    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
M  END
$$$$
Mol_5013
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -3.4220   -0.9086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4594    0.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9818   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0192    1.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4583    0.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9733   -0.5335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4509   -0.7920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
M  END
$$$$
Mol_5014
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
    5.1940   -2.6956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1961   -1.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8024   -2.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3782   -1.6597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5899   -0.3836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8038   -0.9384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9070   -0.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3758    0.0494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0715    1.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7671    2.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5403    1.8225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
  6 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 16 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 22 23  2  0
 21 24  2  0
 24 25  1  0
 25 26  1  0
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 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 31  2  1  0
 26  5  1  0
 33 30  1  0
 12  7  1  0
 24 13  1  0
M  END
$$$$
Mol_5015
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -3.3863   -0.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0220    0.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -0.5695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5644    0.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7068    1.5470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7864   -0.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1507   -0.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
M  END
$$$$
Mol_5016
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.4185    1.0669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0102    0.5504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7535   -0.9275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3452   -1.4440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0884   -2.9219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8063   -0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2911   -0.6952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9521    0.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8757    1.6960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5495    0.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8588    1.5117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11  2  1  0
 10  6  2  0
M  END
$$$$
Mol_5017
     RDKit          2D

 40 41  0  0  0  0  0  0  0  0999 V2000
   -7.8106    2.9057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2929    3.1357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2332    1.9670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6913    0.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2090    0.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6671   -1.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6074   -2.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1849   -1.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6429   -2.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1607   -2.9191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6187   -4.3178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1365   -4.5478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2861   -3.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2264   -2.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7087   -2.6705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6490   -1.5019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3991    1.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9410   -0.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3394    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7975    3.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3152    3.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3749    2.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0916    1.9362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3873    3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7155    2.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6846    0.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.3171    4.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8348    4.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
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 13 14  1  0
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  3 35  1  0
 35 36  1  0
 35 37  1  0
 35 38  1  0
 38 39  1  0
 39 40  1  0
 40  2  1  0
 32 26  1  0
M  END
$$$$
Mol_5018
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
    2.9523   -3.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7439   -1.9763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0363   -0.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5371   -0.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7455   -1.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7537   -1.8309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4613   -0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9606   -0.4598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2529   -1.7824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7522   -1.7339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2514   -1.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0430   -2.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9590   -0.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4582   -0.3143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1674    0.9113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8593    2.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5596    1.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6682    0.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8766    2.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3774    2.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6697    0.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1219    2.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8295    0.7174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3287    0.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6211    1.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1203    1.9430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8279    0.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6195    1.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9119    3.2171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1187    1.8460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3271    0.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0347   -0.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2431   -2.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9508   -3.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
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  8  9  1  0
  8 10  1  0
 10 11  1  0
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 13 15  1  0
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 31 32  1  0
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 33 34  1  0
 33  2  1  0
 27  3  1  0
 23  4  1  0
 21  7  1  0
 18  8  1  0
M  END
$$$$
Mol_5019
     RDKit          2D

 40 41  0  0  0  0  0  0  0  0999 V2000
   -8.1810    1.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5710    2.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7544    1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5478   -0.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1579   -0.8566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9514   -2.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1348   -3.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5614   -2.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3780   -1.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9881   -2.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8047   -1.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4148   -2.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2314   -1.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586   -1.8331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3420   -0.9114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7319   -1.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9384   -2.9611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9153   -0.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3052   -1.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6353    0.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.7775    3.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
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  8  9  1  0
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 40  2  1  0
 32 26  1  0
M  END
$$$$
Mol_5020
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.8748   -0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4825    0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3029   -0.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0893   -0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2689   -0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3020    1.4551    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
M  END
$$$$
Mol_5021
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -6.7236   -1.3400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6691   -2.4068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2180   -2.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8213   -0.5804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5022
     RDKit          2D

 35 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5023
     RDKit          2D

 46 51  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5024
     RDKit          2D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  CHG  1  22   1
M  END
$$$$
Mol_5025
     RDKit          2D

 50 55  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5026
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5027
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
    5.9932   -0.4323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  ISO  1   1   2
M  END
$$$$
Mol_5028
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5029
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5030
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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 13  3  1  0
 11  5  2  0
M  END
$$$$
Mol_5031
     RDKit          2D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5032
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.5981    0.6667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5033
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5034
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5035
     RDKit          2D

 45 50  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5036
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5037
     RDKit          2D

 40 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5038
     RDKit          2D

 38 42  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5039
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5040
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
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    0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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  4  6  1  0
M  END
$$$$
Mol_5041
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5042
     RDKit          2D

 40 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5043
     RDKit          2D

 41 42  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5044
     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5045
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5046
     RDKit          2D

 18 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5047
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5048
     RDKit          2D

 41 46  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5049
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5050
     RDKit          2D

 37 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5051
     RDKit          2D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5052
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5053
     RDKit          2D

 30 31  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5054
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_5055
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5056
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5057
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5058
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5059
     RDKit          2D

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 11 13  1  0
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 29 30  1  0
  8 31  1  0
 31  2  1  0
 13  6  1  0
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 29 11  1  0
 26 17  1  0
M  END
$$$$
Mol_5060
     RDKit          2D

 27 28  0  0  0  0  0  0  0  0999 V2000
    0.7817   -5.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9849   -3.8074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0
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  3  5  1  0
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 10 11  1  0
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 25 26  1  0
 25 27  2  0
 14  7  1  0
 27 20  1  0
M  END
$$$$
Mol_5061
     RDKit          2D

 44 48  0  0  0  0  0  0  0  0999 V2000
   -6.6724    1.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2932    0.1513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 28  6  1  0
 39 30  1  0
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M  CHG  1   7   1
M  END
$$$$
Mol_5062
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.7925    0.2909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6834   -0.7190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3931   -1.8277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1451   -1.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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  5  6  2  0
  6  7  1  0
  6  8  1  0
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  8 10  2  0
 10  3  1  0
M  END
$$$$
Mol_5063
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -5.6052   -2.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6507   -1.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7460    2.4122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6465    2.8253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0
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 10 20  2  0
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 21  6  1  0
 19 11  1  0
M  CHG  1  20   1
M  END
$$$$
Mol_5064
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.9545    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4545   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7045    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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  6  7  1  0
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  5 10  1  0
 10 11  1  0
 11  2  1  0
M  END
$$$$
Mol_5065
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.0843   -2.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9733    1.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
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 10 11  1  0
 11 12  1  0
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 13 14  1  0
 12 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 17  3  1  0
 15  5  1  0
 11  7  2  0
M  END
$$$$
Mol_5066
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -2.7657    1.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 10  1  0
  8 11  1  0
  7  2  1  0
 11  2  1  0
M  END
$$$$
Mol_5067
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -3.5493   -2.5466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0535   -2.4338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5989    1.5087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1031    1.6216    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7425    0.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2382    0.4955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8884    1.8473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 11 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 17 18  2  0
 18  3  1  0
  8  4  1  0
 18 10  1  0
M  END
$$$$
Mol_5068
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.4860   -0.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9869   -0.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8344   -1.4146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7832    0.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2224    1.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2507    0.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  9  7  1  0
M  END
$$$$
Mol_5069
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.1509   -0.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6580   -0.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7855   -1.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2926   -1.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3278    0.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6933   -0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1862   -0.7785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5446    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0376    1.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
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  6  7  1  0
  6  8  1  0
  8  9  2  0
  5 10  1  0
 10 11  1  0
 11  2  1  0
M  END
$$$$
Mol_5070
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -2.3351    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4682    0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0947   -0.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4576    0.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7213   -1.7948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7319   -1.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4922   -0.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8551   -0.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791    0.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9403    1.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4420   -0.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
M  END
$$$$
Mol_5071
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -0.2163   -2.2835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2050   -0.7836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4983   -0.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8030   -0.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1823    2.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1111    1.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0997   -0.0434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5789    0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6021   -1.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  8  2  1  0
M  END
$$$$
Mol_5072
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
    8.7952    2.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667    1.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9075    1.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4790   -0.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0199   -0.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5914   -2.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1322   -2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1015   -1.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6424   -1.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3883   -0.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3372   -0.1899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3679    0.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8270    0.5522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4794   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1747    2.0114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2862    0.2046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0
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 16 18  1  0
 16 19  1  0
M  END
$$$$
Mol_5073
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
    9.8987    3.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5621    1.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1279    1.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7913   -0.0715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3571   -0.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0205   -1.9727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5863   -2.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4887   -1.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0545   -1.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9568   -0.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.5070    0.0635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 18 20  1  0
 18 21  1  0
M  END
$$$$
Mol_5074
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
    9.8987    3.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5621    1.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7913   -0.0715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3571   -0.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.5122    1.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5070    0.0635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
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M  END
$$$$
Mol_5075
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.9867    0.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1652   -0.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8129    2.3200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0
 10 11  1  0
 10  4  1  0
M  END
$$$$
Mol_5076
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.2457   -0.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9512    0.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5077
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5078
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0
 11  4  1  0
M  END
$$$$
Mol_5079
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
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 14  8  2  0
M  END
$$$$
Mol_5080
     RDKit          2D

 22 26  0  0  0  0  0  0  0  0999 V2000
    3.0421   -2.8759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5081
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5082
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5083
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0
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M  END
$$$$
Mol_5084
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.9867    0.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1652   -0.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8129    2.3200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  2  0
 10 11  1  0
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M  END
$$$$
Mol_5085
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.8254    0.0221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8129   -2.3200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5062   -1.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  9  1  0
  9 10  2  0
  9 11  1  0
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M  END
$$$$
Mol_5086
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -8.5746    0.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4864   -0.2158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7927    0.8829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5087
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
    5.2721   -1.3258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3238   -0.1636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 14 10  1  0
M  END
$$$$
Mol_5088
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -4.5036    0.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0190   -1.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 14  2  0
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M  END
$$$$
Mol_5089
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
  -10.4624   -0.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5090
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.9867    0.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  2  0
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M  END
$$$$
Mol_5091
     RDKit          2D

 25 29  0  0  0  0  0  0  0  0999 V2000
    6.9379   -2.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5092
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
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  2  3  2  0
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 16 18  1  0
 16 19  1  0
M  END
$$$$
Mol_5093
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
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  2  3  2  0
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  9 13  1  0
 13 14  1  0
 14  5  1  0
 14  9  1  0
M  END
$$$$
Mol_5094
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -0.7032   -2.9590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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 33 15  1  0
 29 20  1  0
M  END
$$$$
Mol_5095
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
    1.9683    3.0962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3858    1.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2916    0.5184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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 17  2  1  0
 10  5  1  0
 17 12  1  0
M  END
$$$$
Mol_5096
     RDKit          2D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -3.8474    4.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9190    3.0071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.0620    0.9078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5097
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -9.3537    1.3619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5098
     RDKit          2D

  2  1  0  0  0  0  0  0  0  0999 V2000
   -0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
M  END
$$$$
Mol_5099
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 13  6  2  0
M  END
$$$$
Mol_5100
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5101
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 11  5  1  0
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M  END
$$$$
Mol_5102
     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5103
     RDKit          2D

 17 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5104
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5105
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5106
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
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 28  7  1  0
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 25 12  1  0
 23 15  1  0
 25 23  1  0
M  END
$$$$
Mol_5107
     RDKit          2D

 44 47  0  0  0  0  0  0  0  0999 V2000
   -6.2670    5.4593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  1  23   1
M  END
$$$$
Mol_5108
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
    8.2024    1.8300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4473    0.3501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8513   -0.1777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8841   -0.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7249   -1.0261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8107   -3.4580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0
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M  CHG  1  23   1
M  END
$$$$
Mol_5109
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -3.5707   -0.9388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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 13 14  1  0
 14 15  2  0
 15  5  1  0
 15  9  1  0
M  CHG  1   3  -1
M  END
$$$$
Mol_5110
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0
 11 12  2  0
 12  2  1  0
 11  5  1  0
M  END
$$$$
Mol_5111
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
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    3.4296    0.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1316   -1.2243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  4  5  1  0
  5  6  1  0
  6  7  1  0
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  8  9  1  0
  9 10  2  0
M  END
$$$$
Mol_5112
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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    0.0000    1.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.7273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.2273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10  2  1  0
M  END
$$$$
Mol_5113
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
    5.5805   -2.1647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9591   -0.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4053   -0.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4730   -1.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9193   -0.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9870   -2.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4333   -1.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8118   -0.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7442    0.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2979    0.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8914    0.3403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4451   -0.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3774    0.9960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5368    1.9477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5521    2.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1058    1.8508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0373    0.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2153   -0.4730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6447    1.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3922    2.5218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9857    2.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0742    3.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4152    4.5381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2383    1.5433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1498    0.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4024   -0.7794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7434   -0.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9959   -0.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3369   -0.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5895   -1.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5010   -2.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1600   -3.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9075   -2.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8088   -0.6262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7204   -2.1236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4412   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8390   -1.6222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 22 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 26 35  1  0
 35 36  1  0
 17 37  1  0
 37 38  1  0
 10  5  1  0
 37 13  1  0
 35 19  1  0
 34 29  1  0
M  END
$$$$
Mol_5114
     RDKit          2D

 43 46  0  0  0  0  0  0  0  0999 V2000
    4.9315   -9.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8562   -8.0093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2958   -6.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8106   -6.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2501   -5.0163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1748   -3.8352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6144   -2.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5391   -1.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9786    0.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9033    1.3096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3429    2.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2676    3.8820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7071    5.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6319    6.4545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1170    6.2442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2220    5.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6615    6.8751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2972    4.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8121    4.5130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1127    3.3319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2993    1.8896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9451    1.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1262    1.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4737    2.6358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9224    0.7056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4214    0.7595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2176   -0.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5148   -1.8369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7167   -0.4579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5129   -1.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0119   -1.6752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7147   -0.3501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2138   -0.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0100   -1.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3071   -2.8925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8081   -2.9465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6117    3.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4492    4.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8577    2.9113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9330    1.7302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6600   -4.0455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2205   -5.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7057   -5.6472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
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 27 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 23 37  1  0
 37 38  1  0
 18 39  1  0
 39 40  1  0
  6 41  1  0
 41 42  2  0
 42 43  1  0
 42  3  1  0
 39 11  1  0
 37 20  1  0
 36 31  1  0
M  END
$$$$
Mol_5115
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.0154   -2.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1853   -1.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9572    0.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4407    0.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6106   -0.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0086    0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2366    1.6742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1785   -0.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5765   -0.2033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1272    0.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9995    1.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9055    2.2639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5251    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7532   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5832   -1.9836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  3 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15  2  1  0
M  END
$$$$
Mol_5116
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -6.7219    0.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4050   -0.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1246    0.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8077   -0.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5272    0.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2104   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0701    0.5262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3869   -0.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234   -1.6916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6674    0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9843   -0.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2647    0.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
M  END
$$$$
Mol_5117
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -5.5321    0.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0799    0.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0285   -0.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5763    0.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5248   -1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9274   -0.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0849   -1.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3499   -0.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9742    0.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9282    1.8166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4770    0.7505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11  6  1  0
M  END
$$$$
Mol_5118
     RDKit          2D

 31 33  0  0  0  0  0  0  0  0999 V2000
    3.6210   -2.0402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8671   -0.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2716   -0.0338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4300   -0.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8345   -0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9929   -1.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3974   -0.8863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6435    0.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4851    1.5463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0806    1.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7088    0.3924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3043   -0.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1459    0.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2147    1.8711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7891    1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1935    1.4650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1266   -0.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2996   -0.9685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6958   -0.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9190    1.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7460    1.9981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3151    1.6116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5383    3.0949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4881    0.6766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2649   -0.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4379   -1.7416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8341   -1.1932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8688   -1.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6456   -2.8383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6808   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1541   -1.8374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 25 28  1  0
 28 29  1  0
 17 30  1  0
 30 31  1  0
 10  5  1  0
 30 13  1  0
 28 19  1  0
M  END
$$$$
Mol_5119
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
    7.0009    1.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6260    1.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4581   -0.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0832   -1.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8763   -0.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5015   -0.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2946    0.1285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0802   -0.4713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2482   -1.9619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2871    0.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6620   -0.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8689    0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2437    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4506    1.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
M  END
$$$$
Mol_5120
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -0.3347   -2.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8161   -1.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    0.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8504    0.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0012   -0.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4098    0.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5606   -0.8537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6676    1.5861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7090    1.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5617    1.9679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4613    2.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1176    0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3755   -0.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2247   -1.9536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  3  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14  2  1  0
M  END
$$$$
Mol_5121
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
   -7.0764   -2.5498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6310   -1.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6488   -0.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1120   -0.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1298    0.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6845    2.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7023    3.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1654    2.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6107    1.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5929    0.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1679   -0.7869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1501   -1.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6870   -1.5582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6692   -2.6601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2060   -2.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8118   -3.4314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2749   -3.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2927   -4.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7558   -3.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7736   -4.9741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2012   -2.4399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1834   -1.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7202   -1.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6287    0.0943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5372    1.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0003    2.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4456    3.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4278    4.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8731    6.1543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9647    4.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9469    5.4933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5194    2.9591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1096   -0.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6643   -2.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6821   -3.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2393   -0.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7024   -0.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7785    0.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3332    1.6370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2416   -0.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2594    0.9760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 33  2  0
 25 34  1  0
 34 35  1  0
 35 36  2  0
 15 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 10  5  1  0
 41 13  1  0
 23 17  1  0
 33 26  1  0
 35 21  1  0
M  END
$$$$
Mol_5122
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -4.0698    3.3325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8281    2.0383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0863    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5864    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8446   -0.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3446   -0.5883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3971   -1.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8971   -1.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6388   -3.2054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6553   -0.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1553   -0.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8970   -1.9206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9135    0.6774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1717    1.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9300    3.2754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6718    1.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9135    0.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4136    0.7060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6028   -1.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1028   -1.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8446   -0.5597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3445   -0.5502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
  5 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21  3  1  0
 18  6  1  0
 17 10  1  0
M  END
$$$$
Mol_5123
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -3.8971    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
M  END
$$$$
Mol_5124
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -2.3341   -2.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8752   -0.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8825    0.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4235    1.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9573    2.2468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500    1.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5162    1.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5235    0.3405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9897    0.6571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0645   -1.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5983   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1394   -2.8323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4090   -0.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13  2  1  0
 13  6  1  0
M  END
$$$$
Mol_5125
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
    6.3869    1.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9623    0.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6568   -0.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2323   -1.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1132   -0.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6887   -0.6147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4304    0.3842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8550   -0.0856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1604   -1.5541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9740    0.9133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3986    0.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5177    1.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7041   -1.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
M  END
$$$$
Mol_5126
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.4653    0.6606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5353   -0.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0511   -0.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4968    1.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9874    1.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174    0.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4016    0.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3631   -1.2595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1211   -1.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9  3  1  0
M  END
$$$$
Mol_5127
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -6.7729   -0.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5132   -0.9988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1781   -0.3151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1026    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7674    1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5078    1.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1727    1.7359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0870    0.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0115   -0.5766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2711   -1.3911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1956   -2.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8605   -3.5728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6063   -0.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8659   -1.5218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6818    0.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0169    1.4744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4221    1.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4976    3.1032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -0.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9184   -1.1295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
  6 19  1  0
 19 20  2  0
 20  3  1  0
 17  8  1  0
M  END
$$$$
Mol_5128
     RDKit          2D

 70 75  0  0  0  0  0  0  0  0999 V2000
   -3.0447    3.2555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708    1.9429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0452    3.3104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2282    2.0528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1801    4.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -15.0427    3.0357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8174    4.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3176    4.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
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  7  9  1  0
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 10 11  1  0
 11 12  2  0
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 13 14  2  0
 14 15  1  0
 16 15  1  6
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 17 18  1  0
 18 19  1  6
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 18 21  1  0
 21 22  1  1
 21 23  1  0
 23 24  1  6
 23 25  1  0
 25 26  1  1
 14 27  1  0
 27 28  2  0
  4 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 38 37  1  6
 38 39  1  0
 39 40  1  0
 40 41  1  6
 41 42  1  0
 40 43  1  0
 43 44  1  1
 43 45  1  0
 45 46  1  6
 45 47  1  0
 47 48  1  1
 36 49  1  0
 49 50  2  0
  2 51  1  0
 51 52  1  0
 52 53  1  0
 53 54  2  0
 54 55  1  0
 55 56  2  0
 56 57  1  0
 58 57  1  6
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 69 70  2  0
 28 11  1  0
 50 33  1  0
 70 53  1  0
 25 16  1  0
 47 38  1  0
 67 58  1  0
M  END
$$$$
Mol_5129
     RDKit          2D

 27 30  0  0  0  0  0  0  0  0999 V2000
    8.7068    1.0736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4057    1.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1087    1.0664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7367    1.6728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7361    0.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2439    0.7080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4903    2.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0239    1.6890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1288    0.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3398   -0.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7118   -0.0819    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9229   -0.9669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.4109    1.4585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1790   -2.1795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1930   -2.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8833   -2.1137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9560   -0.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0735   -1.4264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
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 13 14  2  0
 14 15  1  0
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 16 18  1  0
 18 19  2  0
 10 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
  5 24  1  0
 24 25  1  0
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 26  3  1  0
 23  6  1  0
 23  9  1  0
 19 13  1  0
M  END
$$$$
Mol_5130
     RDKit          2D

 51 54  0  0  0  0  0  0  0  0999 V2000
   -1.3684    0.8224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3908   -2.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5380   -1.4529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
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  4 29  1  0
 29 30  2  0
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 33 34  1  0
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 28 11  1  0
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 25 16  1  0
 48 39  1  0
M  END
$$$$
Mol_5131
     RDKit          2D

 33 34  0  0  0  0  0  0  0  0999 V2000
   -9.9749   -2.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 21  1  0
M  END
$$$$
Mol_5132
     RDKit          2D

 46 50  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5133
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 15  9  1  0
M  END
$$$$
Mol_5134
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5135
     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5136
     RDKit          2D

 28 28  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
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 18 12  1  0
M  END
$$$$
Mol_5137
     RDKit          2D

 51 54  0  0  0  0  0  0  0  0999 V2000
   -1.0837    3.6470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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  2  4  1  0
  4  5  1  0
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  5 30  1  0
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 33 34  1  0
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 29 12  1  0
 51 34  1  0
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 48 39  1  0
M  END
$$$$
Mol_5138
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -6.4952   -1.5441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -0.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    0.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    1.4559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.4559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.7059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.4559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -1.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4952   -1.5441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    1.4559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -1.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
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  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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  9 10  2  0
 10 11  1  0
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 16 17  2  0
 17  2  1  0
 15  9  1  0
M  END
$$$$
Mol_5139
     RDKit          2D

 29 30  0  0  0  0  0  0  0  0999 V2000
   -1.5000    0.9615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -0.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.6366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.1366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2500   -0.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.9615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -0.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    0.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    0.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500    2.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    2.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    0.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.2500    2.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500    2.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
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 17 11  1  0
 29 23  1  0
M  END
$$$$
Mol_5140
     RDKit          2D

 32 33  0  0  0  0  0  0  0  0999 V2000
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   -8.6804    1.9842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2637    2.9379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
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  8  9  2  0
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 10 11  1  0
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 29 12  1  0
 26 17  1  0
M  END
$$$$
Mol_5141
     RDKit          2D

 52 55  0  0  0  0  0  0  0  0999 V2000
   -8.1496    7.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1109    5.9817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5142
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5143
     RDKit          2D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5144
     RDKit          2D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5145
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
   -8.0471   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0733   -1.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0972    0.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0710    1.4283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.0494   -3.0859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
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 16 22  1  0
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 33 34  1  0
  2 35  1  0
 35 36  2  0
 35 37  1  0
 20  9  1  0
 31 22  1  0
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 33 15  1  0
M  END
$$$$
Mol_5146
     RDKit          2D

 45 48  0  0  0  0  0  0  0  0999 V2000
  -13.1571    0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7050    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6534   -0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2012   -0.0661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1496   -1.1357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6459   -1.8295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0464   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7932   -0.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8448    1.0616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9922    2.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9262   -0.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4639    3.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
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M  END
$$$$
Mol_5147
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -5.5406    1.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3716    0.9841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6012   -0.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.2294   -2.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.6279   -3.0652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731    1.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5898    2.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0922    3.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2795    4.3210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0704   -1.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 31 32  1  0
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 19  8  1  0
 30 21  1  0
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M  END
$$$$
Mol_5148
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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    3.6830    0.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1600    3.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7098    2.3093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0659    3.6641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 30  8  1  0
 30 12  1  0
 27 14  1  0
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M  END
$$$$
Mol_5149
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
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   -6.0159    1.4735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5150
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5151
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5152
     RDKit          2D

 41 44  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5153
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5154
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
    8.1630   -0.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17  8  1  0
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M  END
$$$$
Mol_5155
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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 30 17  1  0
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M  END
$$$$
Mol_5156
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
   -3.5925   -3.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 36  5  1  0
 14  8  1  0
 36 23  1  0
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M  END
$$$$
Mol_5157
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
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 21  9  1  0
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M  END
$$$$
Mol_5158
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
  -10.1804   -0.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1169   -1.4969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6691   -1.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2848    0.3452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6055   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.8369    0.7374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4422    3.4342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
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 37 19  1  0
M  END
$$$$
Mol_5159
     RDKit          2D

 45 48  0  0  0  0  0  0  0  0999 V2000
    2.1929   -3.3118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2886   -2.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7236   -2.7240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0449    0.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4800   -0.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8193   -1.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2543   -2.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3500   -1.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5937   -3.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0287   -4.0341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4980   -4.6218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7056    1.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6157    3.7680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
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 44 24  1  0
M  END
$$$$
Mol_5160
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.8537   -0.5799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4576   -1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2344   -2.6115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2846   -0.1933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1116   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6808   -0.3551    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0614    1.6766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3348    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5078    1.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9040    1.8384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  2  0
  7 10  1  0
  6 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13  4  1  0
M  END
$$$$
Mol_5161
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
    4.1745    2.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1612    1.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6123    0.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0768    0.0734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5279   -1.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4434   -3.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9079   -3.4369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4701   -0.9004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3432   -1.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9383    0.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  6  9  1  0
  9 10  1  0
  2 11  1  0
 11 12  1  0
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 13 15  1  0
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 27 28  1  0
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 28 30  1  0
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 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 11  1  0
 33 15  1  0
 30 17  1  0
 28 20  1  0
M  END
$$$$
Mol_5162
     RDKit          2D

 41 44  0  0  0  0  0  0  0  0999 V2000
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    0.9664    0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0185    2.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1864   -1.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4586   -2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4064   -3.6324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7829   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8351    0.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1594    0.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5163
     RDKit          2D

 41 44  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5164
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5165
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5166
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5167
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5168
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5169
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5170
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5171
     RDKit          2D

 41 44  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5172
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5173
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5174
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5175
     RDKit          2D

 39 42  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5176
     RDKit          2D

 41 44  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5177
     RDKit          2D

 43 46  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5178
     RDKit          2D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5179
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5180
     RDKit          2D

 40 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5181
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5182
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5183
     RDKit          2D

 41 44  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5184
     RDKit          2D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5185
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5186
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5187
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5188
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5189
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5190
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5191
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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 33 34  2  0
 20  9  1  0
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 20 13  1  0
 33 15  1  0
M  END
$$$$
Mol_5192
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
    2.2605    6.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1698    5.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2674    5.7682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5161    3.8790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4254    2.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0761   -4.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  2  0
  2  4  1  0
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M  END
$$$$
Mol_5193
     RDKit          2D

 42 45  0  0  0  0  0  0  0  0999 V2000
    3.5684   -5.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3817   -4.1785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5830   -2.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9709   -2.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1721   -0.6367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7988    1.1983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1867    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5747    2.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1492    1.9876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3505    3.4740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1638    4.3916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 15  1  0
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M  END
$$$$
Mol_5194
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.2310   -0.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1858   -1.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8680    0.4395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 30  9  1  0
 30 12  1  0
 27 14  1  0
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M  END
$$$$
Mol_5195
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
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   -3.1433    0.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 36 18  1  0
M  END
$$$$
Mol_5196
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
   -5.4385    2.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1484    4.3736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2133   -2.7328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7480   -2.5153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8967    3.5851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  2  8  1  0
  8  9  1  0
  9 10  1  0
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 31 32  1  0
 32 33  1  0
 33 34  1  0
 20  8  1  0
 31 22  1  0
 20 12  1  0
 33 14  1  0
M  END
$$$$
Mol_5197
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
    8.3167   -0.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2676   -1.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6030    2.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1009    2.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5482    3.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0512    3.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3213    2.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4972    3.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6504    1.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9172    2.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2462    1.4819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3085   -0.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6376   -0.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1244   -0.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0917    0.7174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6999   -2.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0290   -2.9063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4332   -3.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1041   -2.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0418   -0.8201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7750   -1.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7127   -0.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9454    1.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2892    0.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6715   -3.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6223   -4.3010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
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 13 14  2  0
 14 15  1  0
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 29 30  1  0
  2 31  1  0
 31 32  1  0
 29  8  1  0
 29 11  1  0
 26 13  1  0
 24 16  1  0
M  END
$$$$
Mol_5198
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
   -5.4385    2.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2811    1.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5289   -0.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9340   -0.9174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1817   -2.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0244   -3.3511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5868   -2.9220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8761    1.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    3.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9765    3.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1484    4.3736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4513    1.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6187    2.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9443    1.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1658   -0.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0082   -1.2493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2133   -2.7328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4038   -0.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5778   -1.6330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6253    0.7842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8905   -0.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7480   -2.5153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1309   -0.4819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5138    1.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1183    2.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8967    3.5851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  2  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
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 20  8  1  0
 31 22  1  0
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 33 14  1  0
M  END
$$$$
Mol_5199
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -6.5784   -0.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1820   -0.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9581   -2.4392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0094   -0.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0769    1.4780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6727    2.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2739    3.4513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7372    0.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0465    2.1642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2399    0.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4313   -0.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5634   -0.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4206   -0.9560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5862    1.9952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0850    3.3367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
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 14 15  1  0
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 11 17  1  0
 17 18  1  0
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 19 20  1  0
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 21 22  2  0
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 27 28  1  0
 28 29  1  0
 15  4  1  0
 26 17  1  0
 15  8  1  0
 28 10  1  0
M  END
$$$$
Mol_5200
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
    8.3167   -0.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9577    0.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5539    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6030    2.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1009    2.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5482    3.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3213    2.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5201
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
   -7.9819   -3.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5202
     RDKit          2D

 37 42  0  0  0  0  0  0  0  0999 V2000
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 20  8  1  0
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M  END
$$$$
Mol_5203
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5204
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5205
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
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 31 32  1  0
 31 10  1  0
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 28 15  1  0
 26 18  1  0
M  END
$$$$
Mol_5206
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
   -7.9819   -3.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6240   -2.2760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5207
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
    8.1066   -0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  2  0
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 30  8  1  0
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 27 14  1  0
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M  END
$$$$
Mol_5208
     RDKit          2D

 42 45  0  0  0  0  0  0  0  0999 V2000
  -10.0470    0.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0046   -1.0480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5493   -0.6846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1363    0.7574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5069   -1.7632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9198   -3.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0516   -1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6386    0.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6810    1.1209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 41 19  1  0
M  END
$$$$
Mol_5209
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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    4.0375    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5210
     RDKit          2D

 40 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5211
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5212
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5213
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5214
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5215
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_5216
     RDKit          2D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5217
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_5218
     RDKit          2D

 39 42  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5219
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5220
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5221
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5222
     RDKit          2D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5223
     RDKit          2D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5224
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_5225
     RDKit          2D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5226
     RDKit          2D

 35 38  0  0  0  0  0  0  0  0999 V2000
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 21 12  1  0
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 21 15  1  0
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M  END
$$$$
Mol_5227
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.3306   -0.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5228
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
   -7.2392   -3.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8652   -2.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 31 22  1  0
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 33 15  1  0
M  END
$$$$
Mol_5229
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
    8.4819   -3.9377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0924   -3.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8868   -1.8869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4973   -1.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3133   -2.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9237   -1.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1446   -0.5482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  2  0
  2  4  1  0
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 35  5  1  0
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 31 10  1  0
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M  END
$$$$
Mol_5230
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
    4.2538   -3.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2470   -2.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3182    1.7584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 29 16  1  0
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M  END
$$$$
Mol_5231
     RDKit          2D

 41 44  0  0  0  0  0  0  0  0999 V2000
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    2.1864    1.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4586    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4064    3.6324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5232
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5233
     RDKit          2D

 45 48  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5234
     RDKit          2D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5235
     RDKit          2D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5236
     RDKit          2D

 39 42  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5237
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5238
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5239
     RDKit          2D

 40 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5240
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5241
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5242
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5243
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5244
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.0612   -0.1629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0722   -1.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0
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  2 31  1  0
 31 32  2  0
 31 33  1  0
 29  8  1  0
 29 11  1  0
 26 13  1  0
 23 16  1  0
M  END
$$$$
Mol_5245
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
    4.0573    3.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0612    2.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4156   -1.6268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7660   -3.7904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0
  3  4  1  0
  4  5  1  0
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 30 17  1  0
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M  END
$$$$
Mol_5246
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
    2.2219    6.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1519    5.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5272    3.9817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4571    2.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0222    3.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0
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 36 37  1  0
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M  END
$$$$
Mol_5247
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.4181   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3906   -1.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5248
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5249
     RDKit          2D

 37 42  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5250
     RDKit          2D

 42 45  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5251
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5252
     RDKit          2D

 44 47  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5253
     RDKit          2D

 41 44  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5254
     RDKit          2D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5255
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_5256
     RDKit          2D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5257
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
  -10.1804   -0.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5258
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5259
     RDKit          2D

 35 38  0  0  0  0  0  0  0  0999 V2000
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   -7.5700   -2.1741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5260
     RDKit          2D

 47 50  0  0  0  0  0  0  0  0999 V2000
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 16  6  1  0
 47 19  1  0
M  END
$$$$
Mol_5261
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
   -7.9819   -3.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6240   -2.2760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
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 20  9  1  0
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M  END
$$$$
Mol_5262
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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   -7.8859   -2.9786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 19  8  1  0
 31 21  1  0
 19 12  1  0
 33 14  1  0
M  END
$$$$
Mol_5263
     RDKit          2D

 36 39  0  0  0  0  0  0  0  0999 V2000
   11.2866   -3.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 35 17  1  0
M  END
$$$$
Mol_5264
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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 32 15  1  0
M  END
$$$$
Mol_5265
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
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  2 35  1  0
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 20  9  1  0
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 33 15  1  0
M  END
$$$$
Mol_5266
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
    4.8948   -5.0647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7428   -3.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17  4  1  0
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 14  6  1  0
 37 16  1  0
M  END
$$$$
Mol_5267
     RDKit          2D

 42 45  0  0  0  0  0  0  0  0999 V2000
  -10.0470    0.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0046   -1.0480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5493   -0.6846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1363    0.7574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5069   -1.7632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9198   -3.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6810    1.1209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5268
     RDKit          2D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5269
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5270
     RDKit          2D

 40 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5271
     RDKit          2D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5272
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5273
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
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 21  9  1  0
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 34 15  1  0
M  END
$$$$
Mol_5274
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
    4.4911    2.8713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5275
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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 17  8  1  0
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 17 11  1  0
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M  END
$$$$
Mol_5276
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
    4.4584    2.8915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4021    1.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5277
     RDKit          2D

 41 44  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5278
     RDKit          2D

 41 44  0  0  0  0  0  0  0  0999 V2000
    2.8895    5.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 41 20  1  0
M  END
$$$$
Mol_5279
     RDKit          2D

 28 29  0  0  0  0  0  0  0  0999 V2000
    7.0268   -2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7566   -3.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4306   -2.6526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1603   -3.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3747   -1.1536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6450   -0.3558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0487   -0.4525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9929    1.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1727    1.9727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6564    3.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1575    3.3252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7474    1.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
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 28  8  1  0
 28 11  1  0
M  END
$$$$
Mol_5280
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.3790   -0.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0444   -0.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9505   -2.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0245   -1.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4380   -1.6196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0842    1.3469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 12 13  1  0
 11  2  1  0
M  END
$$$$
Mol_5281
     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    5.3985    0.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0853   -0.1698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8009    0.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8297    2.1047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4877   -0.1199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7432   -2.3944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2033    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0752    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  1  0
 14  8  1  0
M  END
$$$$
Mol_5282
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.3280   -2.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23  2  1  0
 16  7  1  0
M  END
$$$$
Mol_5283
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
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  9 10  1  0
 10 11  1  0
 11 12  1  0
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 16 17  1  0
 17 18  1  0
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 18 20  1  0
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 25 26  1  0
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  3 29  1  0
 29 30  1  0
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 27  8  1  0
 27 11  1  0
 24 12  1  0
 22 16  1  0
M  END
$$$$
Mol_5284
     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -6.0463    4.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6884    3.5960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4872    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8707   -0.4471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1015    0.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4594   -0.2267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0760   -0.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
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 10 11  1  0
 11 12  1  0
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 17 18  1  0
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 25 26  1  0
 25 27  2  0
 22 28  2  0
 28 29  1  0
 29 30  1  0
 30  5  1  0
 19 10  1  0
 30 21  1  0
M  END
$$$$
Mol_5285
     RDKit          2D

 34 36  0  0  0  0  0  0  0  0999 V2000
    7.1177   -0.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6757    0.5916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  2  0
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 10 11  1  0
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 13 14  1  0
 14 15  1  0
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 14 17  1  0
 17 18  1  0
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 23 24  1  0
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 29 30  1  0
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 29 32  1  0
 32 33  1  0
 33 34  1  0
 34  2  1  0
 27  7  1  0
 21 12  1  0
M  END
$$$$
Mol_5286
     RDKit          2D

 34 36  0  0  0  0  0  0  0  0999 V2000
    5.7027    5.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9892    4.4531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4897    4.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7038    5.6890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7762    3.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8486    0.4948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3492    0.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6357   -0.8664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4216   -2.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7081   -3.4635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2768    3.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
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 13 14  1  0
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 34  5  1  0
 19 10  1  0
 34 21  1  0
M  END
$$$$
Mol_5287
     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
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    0.8784    1.1685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1886   -1.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
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 10 11  1  0
 11 12  1  0
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 21 22  1  0
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 27 28  1  0
 22  5  1  0
 19 10  1  0
 25 21  1  0
M  END
$$$$
Mol_5288
     RDKit          2D

 60 66  0  0  0  0  0  0  0  0999 V2000
  -15.0033    4.9437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.4116    1.1887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  -12.1397   -1.3053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6158   -0.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  8  6  1  1
  8  9  1  0
  9 10  1  0
 10 11  1  1
 12 11  1  6
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 13 14  1  0
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 18 19  1  0
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 22 23  1  6
 23 24  1  0
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 33 34  1  6
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 33 26  1  0
 46 37  1  0
M  END
$$$$
Mol_5289
     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
    5.6229   -3.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2989   -3.2071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3269   -1.0922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2754    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0486    1.1119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.2931    2.4327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8720    0.4961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
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 17 18  1  0
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 21 22  1  0
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 22 25  2  0
 25 26  1  0
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 26 28  1  0
 28  5  1  0
 19 10  1  0
 28 21  1  0
M  END
$$$$
Mol_5290
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
   -5.3686    5.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5669    4.4085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2640    3.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7628    3.0199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4623    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9635    1.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1618    0.6052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8589   -0.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0572   -1.9908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2433   -3.1982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1594    0.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
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  9 10  1  0
 10 11  1  0
 11 12  1  0
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 13 14  1  0
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 15 16  1  0
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 33 36  2  0
 36 37  1  0
 37 38  1  0
 38  5  1  0
 30 10  1  0
 38 32  1  0
 26 17  1  0
M  END
$$$$
Mol_5291
     RDKit          2D

 42 44  0  0  0  0  0  0  0  0999 V2000
  -10.0295    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5417   -0.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6326    1.1475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.5660   -0.4271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.5685    2.8380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3262    3.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8800    5.3437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 22 24  1  0
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 11 28  1  0
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 29 30  1  0
 30 31  2  0
 30 32  1  0
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 37 39  1  0
 39 40  1  0
 39 41  2  0
 28 42  1  0
 42  6  1  0
 27 17  1  0
 41 34  1  0
M  END
$$$$
Mol_5292
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
    5.1178    0.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7942   -0.1294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5212    0.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5717    2.1630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1976   -0.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1471   -1.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4201   -2.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1765   -2.2469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8909   -1.8688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3990    0.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
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 16  5  1  0
 17  9  1  0
 17 12  1  0
M  END
$$$$
Mol_5293
     RDKit          2D

 27 30  0  0  0  0  0  0  0  0999 V2000
    3.3642   -2.9721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4445   -1.9315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8859   -2.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9662   -1.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6052    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6856    1.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3245    2.6462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8832    3.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8028    2.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0835   -0.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6421   -0.0603    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5618   -1.1009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.0864    1.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.2471   -0.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4013   -1.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9599   -1.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
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 13 14  1  0
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 24 25  2  0
 17 26  1  0
 26 27  2  0
 11  2  1  0
 27 14  1  0
 10  5  1  0
 25 20  1  0
M  END
$$$$
Mol_5294
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -4.6432   -1.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5169   -0.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0108   -0.5335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9095    1.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8521    2.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4020    1.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0094    0.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5594   -0.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4981    0.9618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9481    0.5779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3407   -0.8698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7908   -1.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1834   -2.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1259   -3.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482   -0.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2983   -0.5737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4556    1.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5131    2.3218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0056    1.6418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6130    3.0895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0669   -0.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6743   -2.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7317   -3.2937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
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  5  7  1  0
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 20 21  1  0
  8 22  1  0
 22 23  1  0
 23 24  1  0
 22  2  1  0
 20 11  1  0
M  END
$$$$
Mol_5295
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    5.2916    0.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0004   -0.2765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6936    0.4598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6780    1.9598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4025   -0.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4182   -1.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1271   -2.5671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4709   -2.5943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1954   -0.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0957    0.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
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  8 10  1  0
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 16  5  1  0
 16 10  1  0
M  END
$$$$
Mol_5296
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.0749   -2.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9962   -1.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4317    0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9459    0.5227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0246   -0.6610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5114    1.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8388    1.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0464   -2.6689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
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 22  2  1  0
 15  6  1  0
M  END
$$$$
Mol_5297
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.9672   -2.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8966   -0.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0882    1.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4918   -0.7902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  3  7  1  0
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 12 13  1  0
 12  2  1  0
M  END
$$$$
Mol_5298
     RDKit          2D

 34 36  0  0  0  0  0  0  0  0999 V2000
   -3.2254   -2.4645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
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 25 27  1  0
 27 28  1  0
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 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 10  2  1  0
 33 13  1  0
 27 18  1  0
M  END
$$$$
Mol_5299
     RDKit          2D

 42 44  0  0  0  0  0  0  0  0999 V2000
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   -5.8147    3.5623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7335   -1.0671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6105   -0.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  1
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 28 10  1  0
 42 33  1  0
M  END
$$$$
Mol_5300
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.0369   -2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3249   -1.9561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7838   -0.6951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1703   -0.7383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6053    1.2494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8144    2.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7953    0.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2686    1.2427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  6 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12  3  1  0
M  END
$$$$
Mol_5301
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
   -9.6883    1.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2032    1.6800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6427    0.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5674   -0.8924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1575    0.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2328    1.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7476    1.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1872   -0.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7020   -0.5526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7079    0.4181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.5971   -1.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
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M  END
$$$$
Mol_5302
     RDKit          2D

 46 47  0  0  0  0  0  0  0  0999 V2000
   -9.4164    1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7689    0.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -16.2585    1.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
  2 11  2  0
 11 12  1  0
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 13 14  1  0
 14 15  2  0
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 18 19  1  0
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 41 42  1  0
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 43 44  1  0
 43 45  1  0
 45 46  1  0
 45 25  1  0
 39 30  1  0
M  END
$$$$
Mol_5303
     RDKit          2D

 48 50  0  0  0  0  0  0  0  0999 V2000
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    1.2969   -7.0461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3924    1.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1932   -3.6322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
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  8 22  1  0
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 21 14  1  0
 47 40  1  0
M  END
$$$$
Mol_5304
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -5.0840   -0.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8596    0.1342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4970   -0.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3587   -1.9864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2726    0.3738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1866    2.7340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1761    2.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3144    0.6134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9491    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0513   -0.8549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5359   -1.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0900   -0.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 10 13  2  0
 13 14  1  0
 14 15  2  0
 15  5  1  0
 15  9  1  0
M  END
$$$$
Mol_5305
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -4.0499    3.5748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0778    2.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5810    1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0200    0.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0620   -0.9035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6489   -1.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0774   -2.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5905   -2.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6753   -1.8036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2468   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3316    0.7716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1553    0.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7268   -0.8137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2136   -1.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7852   -2.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4726    2.7515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4990    3.1484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7336   -0.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 23  3  1  0
 23  6  1  0
 21 12  1  0
M  END
$$$$
Mol_5306
     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -7.3185    2.7975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8801    2.3720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5294    0.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6170   -0.1194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0910    0.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0033    1.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5649    1.0956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2142   -0.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2242   -0.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7503   -0.1807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7402   -0.9703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
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 10 11  1  0
 11 12  1  0
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 30  5  1  0
 22 10  1  0
 30 24  1  0
M  END
$$$$
Mol_5307
     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
    5.1327   -4.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8465   -3.4801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8718   -1.9803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1833   -1.2523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5856   -1.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9707   -0.3418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
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 10 11  1  0
 11 12  1  0
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 27 29  1  0
 29 30  1  0
 29  5  1  0
 19 10  1  0
 29 21  1  0
M  END
$$$$
Mol_5308
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
    2.9631   -2.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4148   -1.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16  7  1  0
M  END
$$$$
Mol_5309
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -5.6439    0.7338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6289    1.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5310
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.9266   -2.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5311
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -5.9395    3.6848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5946    3.0207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 27 21  1  0
M  END
$$$$
Mol_5312
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -7.2997    0.9179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5313
     RDKit          2D

 41 43  0  0  0  0  0  0  0  0999 V2000
    0.4818   -6.1961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 40 30  1  0
M  END
$$$$
Mol_5314
     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
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 15 28  1  0
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 28  8  1  0
 26 17  1  0
M  END
$$$$
Mol_5315
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.6968    3.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5263    2.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.5277   -1.9216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5674    1.2564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1823   -0.7788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7074    2.0182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9174    3.1211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0026    0.8755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
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  3  5  1  0
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 26  6  1  0
 24 15  1  0
M  END
$$$$
Mol_5316
     RDKit          2D

 39 41  0  0  0  0  0  0  0  0999 V2000
    6.8871    1.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6632    3.1553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667    3.7029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0942    2.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6978    3.3151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5253    2.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1288    2.9272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0437    1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8198    0.5085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4401    2.5394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6127    1.6038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.1816    1.2160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8993    2.5332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4210   -3.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0428    5.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2153    6.1216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  5 36  2  0
 36 37  1  0
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 21 11  1  0
 35 27  1  0
M  END
$$$$
Mol_5317
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -2.2485   -2.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1528   -1.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4013   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7455   -0.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8413   -2.3687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9941   -0.0403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3055    1.2908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7963    1.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7275    2.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9613    1.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7127    1.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6315    1.7905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8800    0.9591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7843   -0.5379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0328   -1.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9370   -2.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5928   -3.5318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6256   -1.5351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4728    0.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8171    1.4588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2243    1.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3200    3.1216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8085   -0.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  3  7  1  0
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 24  2  1  0
 22 13  1  0
M  END
$$$$
Mol_5318
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.1492   -0.4401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6886   -0.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2542    1.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2064    1.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2325    0.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6931    0.9264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7981   -0.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8243   -1.9450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -1.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  2  0
  9  2  1  0
M  END
$$$$
Mol_5319
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
    5.7414    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4807    1.5961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5121    0.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1101    2.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0096    3.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7001    3.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9913    1.7739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9720    0.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0918    0.7546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9140   -0.7348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5585   -3.7137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4012    1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  9 10  1  0
 10 11  1  0
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 29 11  1  0
 31  4  1  0
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M  END
$$$$
Mol_5320
     RDKit          2D

 31 32  0  0  0  0  0  0  0  0999 V2000
   -6.6933   -1.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8958   -2.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5009    0.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2024    2.0376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7975   -0.5032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5971   -1.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3946   -3.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
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 30 12  1  0
 24 17  1  0
M  END
$$$$
Mol_5321
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.1135    3.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8696    2.0425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3621    1.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3605    3.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0805   -1.7978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2000   -2.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8950   -4.2649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6562   -2.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5167    3.1943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2660    0.6693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
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  7 10  2  0
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 25  2  1  0
 25  6  1  0
 23 14  1  0
M  END
$$$$
Mol_5322
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -2.1496    3.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8469    2.4066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8395    0.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1349    0.1503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1276   -1.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4229   -2.1061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8249   -2.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4705   -1.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732   -2.0806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0685   -1.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0612    0.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7585    0.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7512    2.4193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4632    0.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
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 12 14  1  0
 14  3  1  0
 14  8  2  0
M  END
$$$$
Mol_5323
     RDKit          2D

 42 44  0  0  0  0  0  0  0  0999 V2000
   -0.0615   -7.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4817   -6.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4576   -4.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0856   -3.4477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5681   -3.2190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8537   -2.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8423   -3.4062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1363   -1.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1040   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3867    0.7770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7015    0.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7338   -1.4445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9841    0.8329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.5816    0.8887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5494    2.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8320    3.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8833   -0.2799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8511   -1.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9478    2.7194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0355    2.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4612   -1.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
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 42  6  1  0
 22 15  1  0
 41 31  1  0
M  END
$$$$
Mol_5324
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -4.0414    3.5305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8331    2.2565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1257    0.9338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6265    0.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9191   -0.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4199   -0.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2876   -1.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4942   -3.1804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.4167   -0.2915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1241    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
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 20  6  1  0
 19 10  1  0
M  END
$$$$
Mol_5325
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -4.5135    3.9325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6463    2.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4188    1.5763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8309    1.3463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2638   -1.0099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8517   -1.2400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7052    1.5182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2502    3.2424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5295    1.9783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4516   -4.7929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2644   -2.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7508   -0.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5516    0.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 10 11  1  0
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 23 24  1  0
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 25  3  1  0
 17  8  1  0
 25 19  1  0
M  END
$$$$
Mol_5326
     RDKit          2D

 41 43  0  0  0  0  0  0  0  0999 V2000
   -8.7864   -0.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8717    1.1881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3848    0.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.7997    2.8735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0172    3.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5523    3.9319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0994    5.3619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5327
     RDKit          2D

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M  END
$$$$
Mol_5328
     RDKit          2D

125138  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5329
     RDKit          2D

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M  END
$$$$
Mol_5330
     RDKit          2D

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M  END
$$$$
Mol_5331
     RDKit          2D

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M  END
$$$$
Mol_5332
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -4.4816   -0.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1730    0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7141   -0.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0227    0.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3119   -0.6262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6206    0.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
M  END
$$$$
Mol_5333
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -7.0757    2.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5363    0.9209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4125   -1.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3548   -0.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8367   -0.7075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  6 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 23  3  1  0
 21  7  1  0
 20 11  1  0
M  END
$$$$
Mol_5334
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.8935    1.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9686    0.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9265   -0.5247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5586   -0.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
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 13 14  2  0
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 16  5  1  0
 15  8  1  0
M  END
$$$$
Mol_5335
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -4.7354   -3.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9847   -1.9325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4848   -1.9439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  4  5  1  0
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M  END
$$$$
Mol_5336
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -2.3069   -1.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0852   -0.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3584    1.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8657   -1.0486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2794   -1.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1366    0.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5584    1.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9565    0.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  8  2  1  0
  9  5  1  0
M  END
$$$$
Mol_5337
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.1089    3.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1801    2.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  2  3  1  0
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 16  2  1  0
 15  7  1  0
M  END
$$$$
Mol_5338
     RDKit          2D

 29 34  0  0  0  0  0  0  0  0999 V2000
   -6.0733    0.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5339
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -4.9141    1.6609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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 10 11  1  0
M  END
$$$$
Mol_5340
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -4.7010    0.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2768    0.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1570   -0.1658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7328    0.3050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3871   -0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0827   -2.1617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8113   -0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9311   -1.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1156    1.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5398    1.7175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
M  END
$$$$
Mol_5341
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.3326    0.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1835   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3326   -0.9642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4335   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0665   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8165    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3165    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3165   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3165    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8165   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0665    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4335    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
  6 11  1  0
 11 12  1  0
 12  2  1  0
M  END
$$$$
Mol_5342
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.6274   -1.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3683   -0.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5182    0.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9592    0.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8093   -0.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5998   -0.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7497   -1.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5009   -2.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6015   -2.2685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1588   -0.7889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4179    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2680    1.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8589    1.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1181    2.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2910    2.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7001    1.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16  4  1  0
 13  6  1  0
M  END
$$$$
Mol_5343
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.9298    0.7029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7496   -0.2229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3577    0.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1776   -0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3893   -2.0747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2143   -0.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4261    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8180    2.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9981    1.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7864   -0.3973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9666   -1.3232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3945   -0.9564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12  6  1  0
M  END
$$$$
Mol_5344
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -4.1006    1.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7441    0.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8817   -1.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0270   -2.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5799   -2.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7825   -2.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8382   -3.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4226   -0.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8733   -0.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917    1.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1101    2.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9424    1.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0411    0.6737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1837    1.5397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6786    1.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3063    2.7782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15  2  1  0
 13  8  1  0
M  END
$$$$
Mol_5345
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.5305    1.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6580   -0.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2784   -1.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1651    0.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5446    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483    1.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8208    0.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3137    0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1862   -0.7785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003   -1.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2926   -1.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 11  4  1  0
M  END
$$$$
Mol_5346
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.2784   -1.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6580   -0.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5305    1.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1651    0.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5446    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483    1.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8208    0.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3137    0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1862   -0.7785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003   -1.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2926   -1.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 11  4  1  0
M  END
$$$$
Mol_5347
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -3.3016    4.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1441    3.1479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7735    2.5384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6297    3.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8422    3.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5338    1.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0255    2.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9077    0.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3994    0.9905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2817   -0.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2983   -0.5376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1805   -1.7507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5711   -3.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8066   -0.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1971   -2.0657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0793   -3.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9243    0.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5273    0.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4817   -1.3594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6255   -2.3298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0973   -2.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9965   -3.2412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4859   -3.0629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7889   -0.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2882   -0.7551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1795    0.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7279    1.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
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 11 12  1  0
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 14 17  2  0
 17 18  1  0
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 21 24  1  0
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 24 26  1  0
 26 27  2  0
 27  3  1  0
 17  6  1  0
 27 18  1  0
M  END
$$$$
Mol_5348
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -3.9279    1.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4369   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9640   -0.2835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4730   -1.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.9843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9820   -0.8504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4550   -1.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4369   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9459    1.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4730    1.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4910    0.5669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9820    0.8504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  3  1  0
 11  6  1  0
M  END
$$$$
Mol_5349
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -3.9735   -1.9471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7386   -1.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8584    0.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6235    1.2509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7433    2.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2687    0.6071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1488   -0.8881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3838   -1.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2060   -1.5319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4410   -0.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8926   -0.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0650   -2.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3211    0.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9663    1.4585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8465    2.9537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  1  0
 13 14  1  0
 14 15  2  0
  8  2  1  0
 14  6  1  0
M  END
$$$$
Mol_5350
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -3.5576   -1.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0810    0.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6110    0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9093    1.8661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3126   -1.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1409    0.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8525   -0.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3225   -0.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0241    1.3389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6209   -1.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7925    0.1673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
M  END
$$$$
Mol_5351
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -3.7915    3.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6724    2.7486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0614    1.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5696    1.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9586   -0.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1443   -1.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6362   -1.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2472   -3.1986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5171   -0.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0090   -0.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6199   -2.1403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8899    0.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3817    0.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9927   -1.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2789    1.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1598    3.0277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7870    1.9695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9061    0.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4142    0.9112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8395   -1.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3314   -1.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2122   -2.4194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7041   -2.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9423    0.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4342    0.3204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
  5 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 22 25  2  0
 25 26  1  0
 25  3  1  0
 20  6  1  0
 19 10  1  0
M  END
$$$$
Mol_5352
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.3040   -2.9491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7436   -1.5149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2054   -1.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6449    0.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6226    1.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1609    1.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6004    2.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1386    2.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3232    1.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7627    0.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2245    0.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6640   -1.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2468    1.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7405   -0.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1800   -2.1878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7213   -0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 10 14  1  0
 14 15  1  0
 14 16  1  0
 16  2  1  0
 16  6  1  0
M  END
$$$$
Mol_5353
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -0.9718   -1.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0244   -0.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4624   -0.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2736   -1.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4494   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9268    1.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4281    1.0394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5033    2.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7476    0.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1923    0.5117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2251   -1.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  6
  5  6  1  0
  6  7  1  0
  7  8  1  6
  7  9  1  0
  9 10  1  1
  9 11  1  0
  7  2  1  0
 11  4  1  0
M  END
$$$$
Mol_5354
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
    3.4287    1.4093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9023    0.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4227   -0.2419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1762    1.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6692   -1.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0569   -0.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5832   -1.8930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0102    0.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4898    0.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4430    1.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0161   -0.9814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
M  END
$$$$
Mol_5355
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -4.6383    3.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3953    2.0319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6524    0.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1524    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4094   -0.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9095   -0.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1665   -1.8936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3335   -1.9017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0764   -3.2048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0905   -0.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5905   -0.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3334   -1.9179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3475    0.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8475    0.6720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5904   -0.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6045    1.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3616    3.2781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1046    1.9913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3475    0.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1524    0.7045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1665   -1.8773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6664   -1.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4094   -0.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9094   -0.5580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
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 13 16  2  0
 16 17  1  0
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 19 20  1  0
  5 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23  3  1  0
 20  6  1  0
 19 10  1  0
M  END
$$$$
Mol_5356
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -1.2990   -3.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -3.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.6071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    3.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.8571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    1.6071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    3.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.8571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  4 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
M  END
$$$$
Mol_5357
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
    3.4287    1.4093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9023    0.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4227   -0.2419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1762    1.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6692   -1.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0569   -0.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5832   -1.8930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0102    0.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4898    0.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4430    1.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0161   -0.9814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
M  END
$$$$
Mol_5358
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -2.8157    0.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7770   -0.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3205   -0.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8257   -1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1002   -0.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    1.0099    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2456    1.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  3  1  0
M  END
$$$$
Mol_5359
     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    0.9716   -4.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0107   -3.3297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5094   -3.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8863   -2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8686   -1.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5947   -0.1873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0959   -0.1262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9878    1.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1012    2.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7774    3.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2787    3.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0048    4.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0982    2.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0805    1.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4736    0.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9724    0.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7747   -1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6688    1.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1998   -1.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8760   -2.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 15 19  1  0
 19 20  2  0
 20  2  1  0
M  END
$$$$
Mol_5360
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.8212   -0.2187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3377    0.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4038   -1.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2372   -1.9029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 11  2  1  0
  9  4  1  0
M  END
$$$$
Mol_5361
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0
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M  END
$$$$
Mol_5362
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  CHG  1   7   1
M  END
$$$$
Mol_5363
     RDKit          2D

 45 51  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5364
     RDKit          2D

 45 51  0  0  0  0  0  0  0  0999 V2000
    7.0696   -0.0473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5365
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5366
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
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   -0.9565    0.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  8  2  1  0
  9  5  1  0
M  END
$$$$
Mol_5367
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -6.5365    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1115    0.5232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6865    0.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2615   -0.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8365   -0.8821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5885   -1.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8953   -2.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7066   -0.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3998    1.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5180    2.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9429    1.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2498    0.1808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1316   -0.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  3  0
  3  4  1  0
  4  5  3  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
M  END
$$$$
Mol_5368
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -1.2468    3.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2143    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140    2.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4627    1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5915    0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5034   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7521   -1.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9710   -2.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0177   -0.7805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9040    0.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9735   -1.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3505   -1.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2104    0.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7467    0.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6016   -0.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0728   -0.2517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 11 15  1  0
 15 16  2  0
 14  2  1  0
 15  2  1  0
 14  9  1  0
M  END
$$$$
Mol_5369
     RDKit          2D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -4.2707   -3.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9179   -3.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6803   -4.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8027   -1.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0404   -0.8163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9252    0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5724    1.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8100    2.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4572    2.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6948    3.6704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1044    3.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1332    2.6233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0180    1.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4213   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5109    1.2741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3348    0.4797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4499   -1.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2123   -1.8634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1405   -1.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2556    0.2802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6084    0.9283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7236    2.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0764    3.0719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8460    0.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1988    0.7288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7309   -1.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9685   -2.2623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3781   -2.0629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2629   -3.5584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
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 13 14  1  0
 13 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
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 20 21  1  0
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 22 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 17  4  1  0
 28 19  1  0
 16  7  1  0
M  END
$$$$
Mol_5370
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 11  2  1  0
M  END
$$$$
Mol_5371
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -6.3024   -0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2325   -1.5096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7871   -1.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7172   -2.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0928   -3.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2718   -1.7593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8962   -0.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5493    0.0937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9249    1.5459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3703    1.9468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4402    0.8954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0646   -0.5568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1345   -1.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5799   -1.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6498   -2.2588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9555    0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8856    1.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1450    2.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5904    2.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6603    3.2478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9660    0.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4115    0.3434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4813    1.3948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
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 10 11  1  0
 11 12  2  0
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 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
  9 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 22  3  1  0
 21  7  1  0
 17 11  1  0
M  END
$$$$
Mol_5372
     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -8.3082   -1.4104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1915    0.0850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4283    0.9338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8381    0.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6013   -0.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2479    0.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0111   -0.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6577    0.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4209   -0.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9325    0.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1693   -0.7231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5227   -0.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7595   -0.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1129   -0.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4317   -0.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5190    0.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8723    1.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3853    1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 14  1  0
M  END
$$$$
Mol_5373
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -6.1335    0.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8508    0.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5681   -0.7739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2854   -1.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9706   -0.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3121   -1.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6269   -0.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9096   -1.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2244   -0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2565    0.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9737    1.3367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6590    0.6147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3763    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4083    2.8919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9385    0.6702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  3  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15  5  1  0
 12  7  1  0
M  END
$$$$
Mol_5374
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -3.2379    3.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3049    1.6993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0407    0.8920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1076   -0.6065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8434   -1.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9104   -2.9122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2416   -3.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4878   -0.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7521   -1.5298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0833   -0.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1503    0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4815    1.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8861    1.4672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5548    0.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7094    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
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 11 13  1  0
 13 14  1  0
 14 15  2  0
 15  3  1  0
 14  8  1  0
M  END
$$$$
Mol_5375
     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.6136   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3636   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8636   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6136   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3636   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6136   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8864    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8636    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6136    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1136    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8636    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3636   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8636   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
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  8  9  1  0
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 10 11  1  0
 11 12  2  0
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  8 14  2  0
 14 15  1  0
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 17 18  2  0
 18 19  1  0
 18 20  1  0
 15 21  2  0
 21 22  1  0
 21  6  1  0
M  END
$$$$
Mol_5376
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -4.4836    3.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3437    2.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7095    1.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2152    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5810   -0.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4524   -1.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0419   -1.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6761   -3.3561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9020   -0.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3963   -0.8982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0305   -2.2575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2564    0.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7507    0.2003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3849   -1.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6222    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4823    2.9189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9766    2.7885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1279    1.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2678    0.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2266    0.7219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4411   -1.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8068   -2.9648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9354   -1.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5696   -0.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0639    0.0146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  2  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 20  2  0
 20 21  1  0
  5 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 25  3  1  0
 21  6  1  0
 20 10  1  0
M  END
$$$$
Mol_5377
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.3686   -3.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1848   -2.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6827   -2.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0700   -0.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4701   -0.0469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8115    0.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7993    1.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1455    2.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6191    2.6565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8406    2.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4804    0.9541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9652    0.7407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0105    1.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2210   -0.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5672   -1.3990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8944   -1.4373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8187   -0.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6464   -0.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18  2  1  0
 18  6  1  0
 17 11  1  0
M  END
$$$$
Mol_5378
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.1362   -2.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -0.9638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7004   -1.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7434   -0.0601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7354   -0.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4013   -1.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8854   -1.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9341   -2.5099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1367    0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4807    0.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5760    2.2043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8079    0.7374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2652    1.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3082    2.5013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7440    1.5975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7010    0.4425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1798    0.6937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
  4 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 16  2  1  0
 12  5  1  0
M  END
$$$$
Mol_5379
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    6.2727    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7727    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2727    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7727    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2727   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2273   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9773   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4773   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2273   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4773    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9773    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  3  0
  3  4  1  0
  4  5  3  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
M  END
$$$$
Mol_5380
     RDKit          2D

 21 24  0  0  0  0  0  0  0  0999 V2000
    4.6272   -2.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2116   -0.6480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7556   -0.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7152   -1.3679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2592   -1.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2004   -1.3528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6745   -2.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0352   -4.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8298   -1.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8022   -0.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6124    0.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0280    2.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4840    2.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9876    3.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4683    2.9559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8840    1.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3400    1.1539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3803    2.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1564    0.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8594   -0.9594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9715   -1.1817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
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 14 15  1  0
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 17 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  1  0
 17  3  1  0
 19  5  1  0
 21  7  1  0
 19 11  1  0
M  END
$$$$
Mol_5381
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -3.7658   -0.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4254    0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1721   -0.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2593   -1.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1683    0.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2555    1.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4216   -0.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7620    0.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0152   -0.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
M  END
$$$$
Mol_5382
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.3497   -1.6084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8532   -0.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    0.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0363   -0.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5240   -0.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1782   -2.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9395   -1.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1658    0.7528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0746    1.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2415    1.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0947    2.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10  3  1  0
 10  4  1  0
M  END
$$$$
Mol_5383
     RDKit          2D

 26 25  0  0  0  0  0  0  0  0999 V2000
    9.6637    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7368    2.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4759    1.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5490    0.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2880   -0.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3611   -2.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1002   -3.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9540   -0.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6931   -0.8396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3590   -0.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2859    1.3444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0981   -0.9662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7640   -0.2804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4969   -1.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8310   -0.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0919   -1.2194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0188   -2.7177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4260   -0.5336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6869   -1.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0209   -0.6603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.5012    3.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8352    3.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
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  9 10  1  0
 10 11  2  0
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 16 18  1  0
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 23 24  1  0
 24 25  1  0
 25 26  1  0
M  END
$$$$
Mol_5384
     RDKit          2D

 20 23  0  0  0  0  0  0  0  0999 V2000
    1.9033   -3.6288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7339   -2.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6643   -3.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8337   -2.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6049   -0.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7743    0.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1725   -0.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5454    1.6113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7148    2.5507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0223    1.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4919    0.9148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4360    1.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4264   -0.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2123    0.8558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
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 16 17  1  0
 17 18  1  0
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 19 20  1  0
 17  2  1  0
 18  5  1  0
 18 11  1  0
 20 13  1  0
M  END
$$$$
Mol_5385
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    4.3685    0.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2919   -0.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6581   -1.7603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8491    0.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724   -0.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6704   -0.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7470   -1.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3809   -3.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1899   -1.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5561    0.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4794    1.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0366    0.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4028    2.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0401    1.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4829    1.5592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15  4  1  0
 12  6  1  0
M  END
$$$$
Mol_5386
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -4.5553   -0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2359    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   -0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6388    0.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6388   -0.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9583    0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2359   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5553    0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
M  END
$$$$
Mol_5387
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -0.3644   -2.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4522   -1.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8905   -1.6267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1016    0.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8850    1.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6058    2.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1776    1.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4568    1.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9610   -0.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4605   -0.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2438   -1.4788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
  7  4  1  0
M  END
$$$$
Mol_5388
     RDKit          2D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -6.0107    0.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5414    1.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0684    2.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5991    2.9631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6029    1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1336    2.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3395    3.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8626    1.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3319    1.3243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3281    0.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8550   -1.2206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7973    0.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7935   -0.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2628   -0.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7359    1.1089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2590   -1.4360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3895   -0.4011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0798   -0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2480   -1.6441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1490   -2.9514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8470   -4.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6038   -2.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2252   -1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5453    0.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0760    0.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1098   -1.1421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1152   -1.3910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
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 13 14  1  0
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 17 18  1  0
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 24  2  1  0
 25  5  1  0
 25 18  1  0
 27 20  1  0
M  END
$$$$
Mol_5389
     RDKit          2D

 36 40  0  0  0  0  0  0  0  0999 V2000
    2.9752   -4.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1182   -2.7900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6235   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0141   -4.2744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5087   -4.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1464   -5.7588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3658   -3.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7281   -1.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5852   -0.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0798   -0.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9368    0.5232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2992    1.8809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1562    3.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6509    2.9853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2885    1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7831    1.5009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4315    0.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2335   -1.6856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4041   -0.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4529    0.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9475    0.7765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8045    2.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1847    2.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6794    2.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3170    3.7453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5364    1.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8988   -0.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7558   -1.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2504   -1.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3827    0.1788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0203    1.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5150    1.6632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1633    2.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6687    2.6409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0310    1.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
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  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
  8 18  2  0
 18 19  1  0
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 29 30  1  0
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 31 32  1  0
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 34 35  1  0
 35 36  2  0
 18  3  1  0
 27 19  1  0
 36 30  1  0
 17 11  1  0
 36 26  1  0
M  END
$$$$
Mol_5390
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -5.4708    1.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7001    0.1296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2003    0.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4712    1.4646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9714    1.4887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2424    2.7997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2006    0.2019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9297   -1.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1589   -2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3409   -2.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0699   -1.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5698   -1.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2988    0.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7986    0.2984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5280    1.5611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0282    1.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2992    0.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4295   -1.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1585   -2.4440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
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 10 11  1  0
 11 12  2  0
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 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  2  0
  8 18  1  0
 18 19  2  0
 18  3  1  0
 17  7  1  0
 17 11  1  0
M  END
$$$$
Mol_5391
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -5.0351    0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9662   -0.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5203    0.1612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4514   -0.8912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0056   -0.4916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3713    0.9602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8171    1.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8860    0.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3318    0.7069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5091   -1.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0633   -1.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11  5  1  0
M  END
$$$$
Mol_5392
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -6.2838   -2.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7903   -2.3401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1646   -0.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0324    0.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4067    1.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2744    2.8335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9132    1.7497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0454    0.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5519    0.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3158   -0.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8093   -0.4178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6771   -1.6413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1705   -1.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7962   -0.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2897    0.0014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1575   -1.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9285    1.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542    2.4484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4350    0.9454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6711   -0.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
 17 19  2  0
  8 20  2  0
 20  3  1  0
 19 11  1  0
M  END
$$$$
Mol_5393
     RDKit          2D

 42 45  0  0  0  0  0  0  0  0999 V2000
    0.0850   -4.1492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2357   -2.6839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8729   -1.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3023   -2.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4109   -1.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8402   -1.5728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9489   -0.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6281    0.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7368    1.9133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1661    1.4584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869   -0.0069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9162   -0.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2370   -1.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1283   -2.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0248    0.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4542    0.0937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7041    2.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8127    3.0244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2747    2.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9540    3.9341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1988    1.3578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0901    0.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6651   -2.2290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7737   -3.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5238   -1.3192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9532   -0.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0618   -1.8748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4912   -1.4199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8119    0.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7033    1.0558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0240    2.5212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9154    3.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4860    3.0767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4534    2.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7741    4.4414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5620    1.9656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9914    2.4205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2413    0.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3499   -0.5101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7411   -3.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3117   -3.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
  8 21  1  0
 21 22  2  0
  2 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 32 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 28 41  1  0
 41 42  2  0
 22  5  1  0
 42 25  1  0
 19 10  1  0
 39 30  1  0
M  END
$$$$
Mol_5394
     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -6.6455   -1.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1456   -1.7367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3853   -0.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1249    0.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3645    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8646    2.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250    0.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250    0.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1146   -0.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6146   -0.4915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -1.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8541   -1.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5937   -3.1134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6145   -0.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8748    0.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6352    2.0826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1351    2.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3749    0.8015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8853   -0.4556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  2  0
  7 19  2  0
 19  3  1  0
 18 10  1  0
M  END
$$$$
Mol_5395
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.6511   -5.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4502   -5.0796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6280   -3.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0068   -2.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1846   -1.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5634   -0.9193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9837   -0.6113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1615    0.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5403    1.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7182    2.9582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0970    3.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2979    2.6502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6767    3.2409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1201    1.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7413    0.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3951   -1.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5961   -0.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9749   -0.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1758    0.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5546   -0.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7556    0.3128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5777    1.8022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1989    2.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0211    3.8823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9980    1.4942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5730   -2.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
  7 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
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 22 23  1  0
 23 24  1  0
 23 25  2  0
 16 26  2  0
 26  3  1  0
 15  9  1  0
 25 19  1  0
M  END
$$$$
Mol_5396
     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.7982   -3.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3877   -2.4335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4880   -1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9987   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0990   -0.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3903   -0.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2900    0.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7793    0.6299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6790    1.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1683    1.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7578    0.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8581   -0.9285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4476   -2.3078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3688   -0.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6885    1.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1778    1.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7673    2.7255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2566    2.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0775    0.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
  5 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  2  0
 19  3  1  0
 14  8  1  0
M  END
$$$$
Mol_5397
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -3.4025    2.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7738    1.2351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7008    0.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0721   -1.2664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5164   -1.6715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9992   -2.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5549   -1.9096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5180   -2.9578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9623   -2.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3336   -1.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7779   -0.6943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1492    0.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5935    1.1641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0762    1.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6320    1.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2607   -0.0512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1836   -0.4562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2566    0.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8852    2.0453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9582    3.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 18  3  1  0
 17  7  1  0
 16 10  1  0
M  END
$$$$
Mol_5398
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -5.4708    1.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7001    0.1296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2003    0.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1585   -2.4440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
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 16 17  2  0
  8 18  1  0
 18 19  2  0
 18  3  1  0
 17  7  1  0
 17 11  1  0
M  END
$$$$
Mol_5399
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -6.2866    1.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1797    0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7496    0.6628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6427   -0.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9659   -1.8143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3245   -0.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6477    1.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0778    1.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6149    0.9006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8616   -1.0166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4314   -1.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  8  1  0
M  END
$$$$
Mol_5400
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -5.0882   -1.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6295   -1.4681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5974   -0.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0241    1.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4828    1.4080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1387   -0.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7787   -1.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7282   -1.0385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8428    0.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3841    1.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4987    2.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
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 10 11  1  0
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 13 14  1  0
 14 15  2  0
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 17 18  2  0
 18 19  1  0
 19 20  1  0
  9  3  1  0
 18 12  1  0
 20  7  1  0
M  END
$$$$
Mol_5401
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.3164   -2.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6153   -1.1795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4918   -0.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0541    0.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0226    0.3738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1461    1.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.0429   -3.0421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3215   -1.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7073   -2.2150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8827    0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7592    1.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  6  7  1  0
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  9 10  1  0
 10 11  2  0
 11 12  1  0
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  5 15  2  0
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 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 18  3  1  0
 26 20  1  0
 14  8  1  0
M  END
$$$$
Mol_5402
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -5.1770   -2.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6865   -2.3401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0875   -0.9649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3799    1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2713    2.8230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8894    1.7855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9980    0.5791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4925    0.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3839   -0.4585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8744   -0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7658   -1.4961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8553    0.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9639    1.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4734    1.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5970   -0.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
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  9 10  1  0
 10 11  1  0
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 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
  8 17  2  0
 17  3  1  0
 16 11  1  0
M  END
$$$$
Mol_5403
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
    3.0914   -3.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2066   -2.1497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9690   -1.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6162   -1.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6214   -1.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2118   -0.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5646   -1.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8022   -0.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.2702   -2.8470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0274    0.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 26  3  1  0
 34 28  1  0
 14  8  1  0
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M  END
$$$$
Mol_5404
     RDKit          2D

 62 66  0  0  0  0  0  0  0  0999 V2000
   -3.2494   -1.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034   -0.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9932    1.5491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4251   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6767    0.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0185   -0.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2701    0.3642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0438   -2.4743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2954   -1.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5405
     RDKit          2D

 37 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5406
     RDKit          2D

 51 54  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5407
     RDKit          2D

 36 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5408
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 21  3  1  0
 19  5  1  0
 19  9  1  0
M  END
$$$$
Mol_5409
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
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    3.5085    0.8766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  4  5  1  0
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  6  7  2  0
  6  8  1  0
M  END
$$$$
Mol_5410
     RDKit          2D

 40 43  0  0  0  0  0  0  0  0999 V2000
    9.3176   -2.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5411
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5412
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
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 12  3  1  0
 11  6  1  0
M  END
$$$$
Mol_5413
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0
M  END
$$$$
Mol_5414
     RDKit          2D

 40 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5415
     RDKit          2D

 49 52  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5416
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5417
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5418
     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5419
     RDKit          2D

 40 43  0  0  0  0  0  0  0  0999 V2000
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    7.2993    1.9597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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M  END
$$$$
Mol_5420
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
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   -0.0493   -2.5216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0
  8  3  1  0
M  END
$$$$
Mol_5421
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
    7.6968   -0.6228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1805   -0.5513    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 17  4  1  0
 16  8  1  0
M  END
$$$$
Mol_5422
     RDKit          2D

 40 44  0  0  0  0  0  0  0  0999 V2000
  -10.2350    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8401    0.5705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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M  END
$$$$
Mol_5423
     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
    3.4571   -4.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6247   -3.4955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7620    0.0088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9599   -1.6122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 13  7  1  0
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M  END
$$$$
Mol_5424
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
    7.9255   -0.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18  4  1  0
 17  8  1  0
M  END
$$$$
Mol_5425
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 17  4  1  0
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M  END
$$$$
Mol_5426
     RDKit          2D

 52 58  0  0  0  0  0  0  0  0999 V2000
  -12.5918   -1.5686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3430   -0.7377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5427
     RDKit          2D

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$$$$
Mol_5428
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5429
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5430
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5431
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5432
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5433
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5434
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
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 11  7  1  0
M  END
$$$$
Mol_5435
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5436
     RDKit          2D

 54 59  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5437
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5438
     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5439
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 17  4  1  0
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M  END
$$$$
Mol_5440
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5441
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -2.5981   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5981   -0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  3  4  1  0
  4  5  2  0
M  END
$$$$
Mol_5442
     RDKit          2D

 40 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5443
     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5444
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5445
     RDKit          2D

 40 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5446
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5447
     RDKit          2D

 53 58  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5448
     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5449
     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5450
     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  9 10  2  0
  9 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 15  3  1  0
 14  8  1  0
M  END
$$$$
Mol_5451
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -4.6765    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3775    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1177   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1177   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
M  END
$$$$
Mol_5452
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
   -7.7318   -4.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2420   -4.1793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2624   -4.5287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
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 30 33  2  0
  5 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 36  3  1  0
 12  7  1  0
 33 14  1  0
 28 19  1  0
M  END
$$$$
Mol_5453
     RDKit          2D

 34 36  0  0  0  0  0  0  0  0999 V2000
   -7.2979   -2.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8099   -2.3963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2301   -1.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1383    0.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6262   -0.0086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5584    1.5643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0705    1.7539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1623    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6743    0.7496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0945    2.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3935    2.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3016    1.1287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7421   -0.8234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8340   -2.0172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
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  7  8  1  0
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 31 32  1  0
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 33 34  1  0
 33  3  1  0
 31 11  1  0
 24 15  1  0
M  END
$$$$
Mol_5454
     RDKit          2D

 39 43  0  0  0  0  0  0  0  0999 V2000
   -9.7961    3.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3725    2.8143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.3436   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7990   -0.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 38  3  1  0
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M  END
$$$$
Mol_5455
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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 15  4  1  0
 14  8  1  0
M  END
$$$$
Mol_5456
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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 16  4  1  0
 15  8  1  0
M  END
$$$$
Mol_5457
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5458
     RDKit          2D

 54 59  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5459
     RDKit          2D

 54 58  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5460
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5461
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5462
     RDKit          2D

 37 39  0  0  0  0  0  0  0  0999 V2000
    3.3674   -2.7255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5463
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.0977    1.4730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3040   -1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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  9 10  2  0
 10  5  1  0
M  END
$$$$
Mol_5464
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.7970    0.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2013    1.9381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4106    3.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 10 11  1  0
 11 12  1  0
 10  5  1  0
M  END
$$$$
Mol_5465
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
    2.0207    2.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5211    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5466
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5467
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5468
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5469
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5470
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -6.8656   -2.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5471
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -6.4591   -2.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5472
     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -1.1632   -2.5872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5473
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5474
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5475
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5476
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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    0.8318    1.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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 13  6  1  0
 11  9  1  0
M  END
$$$$
Mol_5477
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -6.7120   -2.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2627   -2.3957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8144    0.0166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4246    1.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4841    2.5269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0248    1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4146    3.3001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
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 11 20  1  0
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 20 22  1  0
 22 23  2  0
  9  3  1  0
 19 12  1  0
 22  7  1  0
M  END
$$$$
Mol_5478
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -7.5855    0.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3070   -0.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2060    0.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4844   -0.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8031    0.1556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0816   -0.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4003    0.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4405    1.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6787   -0.6986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
M  END
$$$$
Mol_5479
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.3830   -3.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1143   -2.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3457   -0.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1541   -0.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8854   -2.1923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9227    0.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1911    1.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3084    1.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0397    3.0463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5769    0.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3081    1.7797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3454   -0.8181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6141   -2.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
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  6 10  1  0
 10 11  1  0
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 13 14  1  0
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 15 16  2  0
 15 17  1  0
 17 18  1  0
 18  2  1  0
 13  3  1  0
M  END
$$$$
Mol_5480
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -6.0155    2.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6198    1.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3979    0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5717   -0.9303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0022   -0.5459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4327   -0.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2108   -1.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7103   -1.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5096   -3.1150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1849   -2.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4069   -3.6781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3587   -1.2606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1368    0.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7330    1.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0886    2.6403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5191    2.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7411    0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6546    1.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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 22  7  1  0
 22 15  1  0
M  END
$$$$
Mol_5481
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -2.5981   -1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2990   -2.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -2.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 12 13  1  0
 13 14  2  0
 13 15  1  0
 12  4  1  0
M  CHG  2   9   1  11  -1
M  END
$$$$
Mol_5482
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -7.0697    0.7664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1838   -0.4441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6926   -0.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0872    1.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6669   -1.0070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1582   -0.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0440   -2.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5352   -1.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4211   -3.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8602    2.0616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7636    0.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4832    3.1102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3865    1.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4122   -2.8651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  6 21  1  0
 21 22  2  0
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 22  3  1  0
 19  7  1  0
 16  9  1  0
M  END
$$$$
Mol_5483
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.5424   -3.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9298   -1.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6413    0.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0900   -0.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4790    1.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7010   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5387   -0.6303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8686   -0.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 16  2  1  0
 16  6  1  0
M  END
$$$$
Mol_5484
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -6.3729   -2.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9106   -2.5114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8899   -1.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3108    1.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5485
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5486
     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5487
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5488
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.2350    2.8445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5489
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5490
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5491
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5492
     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 11  5  1  0
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 29 20  1  0
M  END
$$$$
Mol_5493
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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 11 12  1  0
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 13 14  1  0
 13  3  1  0
M  END
$$$$
Mol_5494
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
  -11.6913   -0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6913   -0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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 17 18  1  0
 18 19  1  0
M  END
$$$$
Mol_5495
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
    3.8752   -1.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5496
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5497
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -4.9044    2.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5498
     RDKit          2D

 64 69  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5499
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
  2  3  1  0
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 12  5  1  0
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M  END
$$$$
Mol_5500
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -1.0713   -2.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9586   -0.5607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
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  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  2  0
  8  2  1  0
M  END
$$$$
Mol_5501
     RDKit          2D

 27 26  0  0  0  0  0  0  0  0999 V2000
   13.8199    4.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3707    3.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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M  END
$$$$
Mol_5502
     RDKit          2D

 44 48  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5503
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
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 10 11  1  0
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M  END
$$$$
Mol_5504
     RDKit          2D

 27 26  0  0  0  0  0  0  0  0999 V2000
    7.0209    6.2618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0992    5.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7354    3.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8137    2.7212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -12.8055    1.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2477    1.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
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 10 11  1  0
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 18 20  1  0
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 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
M  END
$$$$
Mol_5505
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
   -9.6139   -0.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1177   -0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4625   -2.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2768    0.5214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7806    0.4142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9397    1.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4435    1.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6026    2.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7883    0.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2921    0.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6369   -1.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8593   -1.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1964   -0.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0373    1.0131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5334    0.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3744    2.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1887   -0.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6848   -0.5506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5258    0.6915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3401   -1.8999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
M  END
$$$$
Mol_5506
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
   -9.8994   -0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4078   -0.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9162   -0.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4247   -0.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9331    0.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4415    0.2627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9499    0.4215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5416    0.5802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0332    0.7389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5248    0.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4081   -0.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8996   -0.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5080    1.2151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7829   -1.3683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2745   -1.2096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  3  0
  3  4  1  0
  4  5  3  0
  5  6  1  0
  6  7  3  0
  7  8  1  0
  8  9  3  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
M  END
$$$$
Mol_5507
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.2551    1.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1944    0.0233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7456    0.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573    1.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0916    2.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1522    1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7640   -0.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8247   -1.3216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3151   -0.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0731   -2.0980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5220   -2.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
  9  3  1  0
M  END
$$$$
Mol_5508
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
   -7.9514    0.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5148   -1.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0537   -1.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0292   -0.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5681   -0.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5437    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0826   -0.1811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0581    0.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4275    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8886    1.3315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3252   -0.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3007   -1.1992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7374   -2.6343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7129   -3.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2518   -3.3906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1985   -2.9737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6351   -4.4087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2229   -1.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6840   -2.2174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8108    0.6527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9909    3.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0153    4.2015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5298    3.4453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0931    4.8803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4947    2.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9558    2.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3924    4.1241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9803    1.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4414    1.9328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8780    3.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6171   -3.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6416   -4.2243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 10 11  1  0
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 21 22  1  0
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 29 30  2  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
  5 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 36  3  1  0
 31  6  2  0
 28  8  1  0
 21 12  1  0
M  END
$$$$
Mol_5509
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.2332   -2.6273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0634   -1.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3122   -0.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5180   -1.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8935   -0.8329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0993   -1.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4749   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6447    0.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0203    0.9615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4389    1.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6087    2.7459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0633    0.6575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2692   -0.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0994    1.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3052    2.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6808    1.5398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8866    2.4320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8506    0.0494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2262   -0.5487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6448   -0.8428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8146   -2.3332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
  2 13  1  0
 13 14  2  0
 14 15  1  0
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 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 12  5  1  0
 20 13  1  0
M  END
$$$$
Mol_5510
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -8.1251    0.9350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3321   -0.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8329   -0.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3338   -0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8346   -0.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1637   -0.0874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6629   -0.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1620    0.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8682    1.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3673    1.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1604    0.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -1.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9551   -1.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  3  0
  4  5  1  0
  5  6  3  0
  6  7  1  0
  7  8  3  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
M  END
$$$$
Mol_5511
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    3.7286    1.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5453    0.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1643   -0.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9810   -1.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    0.4099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4143   -0.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5512
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5513
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0
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 12 13  1  0
M  END
$$$$
Mol_5514
     RDKit          2D

 65 71  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5515
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5516
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5517
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5518
     RDKit          2D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5519
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5520
     RDKit          2D

 66 72  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5521
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5522
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5523
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5524
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5525
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -4.5553   -0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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M  END
$$$$
Mol_5526
     RDKit          2D

 13 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5527
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5528
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5529
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5530
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5531
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5532
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5533
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0
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M  END
$$$$
Mol_5534
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5535
     RDKit          2D

 28 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5536
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5537
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5538
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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    2.1412   -1.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0
 10 11  2  0
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M  END
$$$$
Mol_5539
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.0370   -4.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4772   -4.0798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 26 17  1  0
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M  END
$$$$
Mol_5540
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
    4.3050    0.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1354   -0.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4572    1.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  8  9  1  0
M  END
$$$$
Mol_5541
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -3.5821    0.8344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0990    0.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4782   -2.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3201    1.5573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3503   -0.0639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2863    1.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
M  END
$$$$
Mol_5542
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    3.5751   -2.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6658   -1.0734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0724   -0.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8470    1.9211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 14  3  1  0
M  END
$$$$
Mol_5543
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -5.5435   -0.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1979   -1.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6620    3.2277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4617    0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5544
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.5981   -0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0000   -2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  5  6  1  0
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  8  9  1  0
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M  END
$$$$
Mol_5545
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.5000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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 15  4  1  0
 11  5  1  0
M  END
$$$$
Mol_5546
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
    7.6942    0.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5547
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.5070   -0.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 10  2  0
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M  END
$$$$
Mol_5548
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
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    0.5428   -0.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  4  1  0
M  END
$$$$
Mol_5549
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  9 20  2  0
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M  END
$$$$
Mol_5550
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0
M  END
$$$$
Mol_5551
     RDKit          2D

 44 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5552
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
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  6  7  2  0
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 10 11  1  0
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M  END
$$$$
Mol_5553
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5554
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5555
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
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 12  2  1  0
M  END
$$$$
Mol_5556
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0
 14  5  1  0
M  END
$$$$
Mol_5557
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
    4.2951    1.3425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9668   -0.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5351   -0.5686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2068   -2.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4317    0.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1034    1.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2951   -1.3425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
M  END
$$$$
Mol_5558
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -5.5783   -0.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4602    0.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0352   -0.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9171    0.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4921    0.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3170    1.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0713    3.1742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3475    0.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 11  5  1  0
 15 10  1  0
M  END
$$$$
Mol_5559
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.4653    0.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5353   -0.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0511   -0.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4968    1.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9874    1.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174    0.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4016    0.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3631   -1.2595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1211   -1.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9  3  1  0
M  END
$$$$
Mol_5560
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.2435    0.3244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7448    0.3865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1505    1.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2968    2.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5073    1.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5694   -0.2269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2756   -1.5503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0167    0.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4363   -1.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0386   -0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9245   -2.1473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10  2  1  0
M  END
$$$$
Mol_5561
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -1.7858   -2.6401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3223   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2040   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3223    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7858    2.6401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1043    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1043   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4033   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7024   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7024    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4033    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
  7  2  1  0
 11  6  1  0
M  END
$$$$
Mol_5562
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
    5.4209   -0.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9228   -0.5623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4912   -1.9989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4414   -3.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0140   -3.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1762   -2.6182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2838   -1.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7319   -1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5515   -0.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0497   -0.0612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6101    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2086    0.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4457    1.7883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9065    3.2157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0506    1.8941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3263    2.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7003    2.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6133    3.2717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.9103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
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  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
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 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20  2  1  0
 13  8  1  0
M  END
$$$$
Mol_5563
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.2264    0.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7264    0.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9811    1.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5189    1.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2736    0.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7736    0.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5283   -0.8965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5283   -0.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9717   -0.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7170   -2.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
  9  2  1  0
M  END
$$$$
Mol_5564
     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -1.4141    4.6138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0258    4.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1602    4.9644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1766    2.5597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    1.9918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7674    0.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5814   -0.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0884   -1.8246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5877   -1.7787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6251   -2.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0821   -2.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5017   -1.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4643    0.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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 15 23  2  0
 23  4  1  0
 14  6  1  0
 22 16  1  0
 14  9  1  0
M  END
$$$$
Mol_5565
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -0.9638   -2.9459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6803   -1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4379    0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5718    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7370   -0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  7 10  2  0
 10  2  1  0
M  END
$$$$
Mol_5566
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.0040   -1.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7620   -0.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8694    1.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6274    2.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7220    1.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9640    2.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1788   -0.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2863   -2.1600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4126   -0.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3052   -2.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  7 10  2  0
 10 11  1  0
 10  2  1  0
M  END
$$$$
Mol_5567
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -4.6206   -0.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3119    0.6262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0227   -0.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7141    0.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5751   -0.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5558   -1.6740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8838    0.5590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1730   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4816    0.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
M  END
$$$$
Mol_5568
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -5.7928   -0.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4736    0.6258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1957   -0.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5986   -0.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5569
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5570
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5571
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
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 11 12  2  0
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M  END
$$$$
Mol_5572
     RDKit          2D

 28 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5573
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5574
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5575
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5576
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5577
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
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 16 21  1  0
 21 22  1  0
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 24 25  1  0
 12  5  1  0
 24 14  1  0
M  CHG  1  20  -1
M  END
$$$$
Mol_5578
     RDKit          2D

 26 27  0  0  0  0  0  0  0  0999 V2000
    9.1362   -2.3638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1407   -0.8638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5516    2.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8484    1.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1497    2.1361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
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 13 14  1  0
 14 15  2  0
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 19 22  2  0
  5 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25  3  1  0
 22 14  1  0
M  END
$$$$
Mol_5579
     RDKit          2D

 28 32  0  0  0  0  0  0  0  0999 V2000
    6.2052   -0.9246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8073    2.4722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5158    4.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.9606   -1.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
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 15 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 14  5  1  0
 24 15  1  0
 14  9  1  0
 24 19  1  0
 25 11  1  0
M  END
$$$$
Mol_5580
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
    4.1892    0.6576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3872   -0.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8884   -0.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0864   -1.8169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1916    0.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3047    0.9613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
M  END
$$$$
Mol_5581
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -5.1575   -0.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2119    0.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0939    1.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4314    2.1819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8571    0.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1643   -1.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7779   -2.7775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2598   -2.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7994   -1.1454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
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  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 10  5  1  0
 14  9  1  0
M  END
$$$$
Mol_5582
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.3178    1.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4780   -0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7983   -2.5308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  2  0
  9 10  1  0
  9  3  1  0
M  END
$$$$
Mol_5583
     RDKit          2D

  5  5  0  0  0  0  0  0  0  0999 V2000
    1.2760   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3943   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  1  1  0
M  END
$$$$
Mol_5584
     RDKit          2D

 33 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5585
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 13  3  1  0
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 10  4  1  0
M  END
$$$$
Mol_5586
     RDKit          2D

 35 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5587
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 15  6  1  0
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M  END
$$$$
Mol_5588
     RDKit          2D

 28 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5589
     RDKit          2D

 30 30  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5590
     RDKit          2D

 29 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5591
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5592
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 15  6  1  0
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M  END
$$$$
Mol_5593
     RDKit          2D

 32 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5594
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5595
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5596
     RDKit          2D

 47 52  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5597
     RDKit          2D

 79 86  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5598
     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_5599
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_5600
     RDKit          2D

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   12.0412   -1.5248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4474   -1.3755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
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M  END
$$$$
Mol_5601
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -4.9223   -3.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5602
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
    5.1082    2.8715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5603
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -5.3547   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 17  5  2  0
 13  8  1  0
M  END
$$$$
Mol_5604
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -5.5965   -2.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5605
     RDKit          2D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -0.6112   -3.3291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2336    0.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0
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M  END
$$$$
Mol_5606
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -2.0547   -3.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5607
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.6213    3.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6141    2.3589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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M  END
$$$$
Mol_5608
     RDKit          2D

 41 45  0  0  0  0  0  0  0  0999 V2000
   -9.9099    3.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.2753    0.5658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 26 20  1  0
M  END
$$$$
Mol_5609
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
    2.1029   -2.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2008   -1.4839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9764    2.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  4  5  1  0
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  6  2  1  0
 14  7  1  0
 14  5  1  0
M  END
$$$$
Mol_5610
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
   -4.3055   -4.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6473   -2.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0831   -2.3674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3700   -2.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
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M  END
$$$$
Mol_5611
     RDKit          2D

 27 30  0  0  0  0  0  0  0  0999 V2000
    7.8598   -2.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4138   -0.7051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9505   -0.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4700   -1.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 25  3  1  0
 13  8  1  0
 20 15  1  0
 23 18  1  0
M  END
$$$$
Mol_5612
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -3.8971    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   -1.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5981   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
M  END
$$$$
Mol_5613
     RDKit          2D

 27 31  0  0  0  0  0  0  0  0999 V2000
   -3.1217    3.7439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0
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M  END
$$$$
Mol_5614
     RDKit          2D

 27 32  0  0  0  0  0  0  0  0999 V2000
    1.7911   -1.2191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5615
     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5616
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5617
     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
    6.9260   -3.4840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5618
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5619
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5620
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5621
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5622
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5623
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5624
     RDKit          2D

 41 45  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5625
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5626
     RDKit          2D

 44 48  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5627
     RDKit          2D

 45 49  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5628
     RDKit          2D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5629
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5630
     RDKit          2D

 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5631
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5632
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5633
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  9 10  1  0
 10 11  1  0
 11 12  1  0
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 14 15  1  0
  9 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 18 21  1  0
M  END
$$$$
Mol_5634
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -3.5610   -2.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0554   -1.0836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0257    0.0603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9073    2.2775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3720   -0.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8664   -1.6909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8478   -0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3533    1.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2939   -0.8860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5796   -0.8153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
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  6  7  1  0
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 13 14  1  0
  6 15  2  0
 15  2  1  0
M  END
$$$$
Mol_5635
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.0000    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10  4  1  0
M  END
$$$$
Mol_5636
     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
   -9.0671    1.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9372    0.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9686    0.0160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2894   -1.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0
  3  4  1  0
  4  5  1  0
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 19 20  2  0
 20  8  1  0
M  END
$$$$
Mol_5637
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
  -11.6913   -0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3923    0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3923    0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6913   -0.3553    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  4  5  1  0
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 17 18  1  0
 18 19  1  0
M  END
$$$$
Mol_5638
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
   11.7556    0.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4584   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1576    0.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8603   -0.4687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5595    0.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6642   -0.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.6270    0.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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 18 19  1  0
 19 20  1  0
M  END
$$$$
Mol_5639
     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -6.2880    0.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8818    0.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19  8  1  0
 17 11  1  0
M  END
$$$$
Mol_5640
     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5641
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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    2.2538    1.1752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
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  9 10  1  0
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 11 12  2  0
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  9  4  1  0
 16  7  1  0
M  END
$$$$
Mol_5642
     RDKit          2D

 27 28  0  0  0  0  0  0  0  0999 V2000
   -6.2635   -1.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9853   -0.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0692   -1.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0285   -2.8901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  2  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
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 17 20  1  0
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 22 23  1  0
 22 24  1  0
 24 25  1  0
 13 26  2  0
 26 27  1  0
 26  9  1  0
 24 15  1  0
M  END
$$$$
Mol_5643
     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    3.4062   -1.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3553   -2.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5495   -1.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4033    0.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4542   -0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9066   -0.6151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.7604    1.2052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2571    1.9005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9184    3.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
  3 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 18 20  1  0
 13  7  1  0
M  END
$$$$
Mol_5644
     RDKit          2D

 63 62  0  0  0  0  0  0  0  0999 V2000
   14.7574    4.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9811    3.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8415    1.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0651    0.8925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9256   -0.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1492   -1.4685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0097   -2.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6465   -3.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5070   -5.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1438   -5.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9202   -4.8397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5570   -5.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3334   -4.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9702   -5.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7447   11.9296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
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  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
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 13 14  1  0
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 29 30  1  0
 30 31  1  0
 31 32  1  0
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 33 34  1  0
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 60 61  1  0
 61 62  1  0
 62 63  1  0
M  END
$$$$
Mol_5645
     RDKit          2D

 28 29  0  0  0  0  0  0  0  0999 V2000
   -7.6111    3.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2553    2.4994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1333    1.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3670    0.1512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7775    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6555   -1.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8892   -1.9857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1777   -3.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8140    2.0612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6351    1.6385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5883   -3.0580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
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 10 11  2  0
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 27 10  1  0
 25 16  1  0
M  END
$$$$
Mol_5646
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.7493    3.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 13  3  1  0
 19  4  1  0
 13  7  2  0
M  END
$$$$
Mol_5647
     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.5425   -1.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5169   -2.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7034    0.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
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  3 14  1  0
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 17 19  1  0
 13  7  1  0
M  END
$$$$
Mol_5648
     RDKit          2D

 21 24  0  0  0  0  0  0  0  0999 V2000
    1.0087   -1.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7246   -0.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7236   -0.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2231   -0.1483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9400    1.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4405    1.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6569    2.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0580    0.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
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  8  2  1  0
 21 11  1  0
 12  2  1  0
 21 15  1  0
M  END
$$$$
Mol_5649
     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -2.9057    3.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0465    2.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8924    1.9894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
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  6  7  2  0
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 10 11  1  0
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 13 15  1  0
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 11 26  2  0
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M  END
$$$$
Mol_5650
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -0.4528   -3.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0601   -1.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.1247    0.3840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1759   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
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 31 32  1  0
 31 33  2  0
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 13  5  1  0
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M  END
$$$$
Mol_5651
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -3.4670    2.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9145    2.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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  4  5  2  0
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 10 11  1  0
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 29 30  1  0
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 30 10  1  0
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M  END
$$$$
Mol_5652
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -3.7910   -0.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  2  0
 14  2  1  0
 13  6  1  0
M  END
$$$$
Mol_5653
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.1045    4.5460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8101    3.2223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0165    1.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4826    2.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2762    0.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9285   -0.6472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6341   -1.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1332   -2.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8388   -3.3453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9268   -0.7488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2212    0.5749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7221    0.6257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7500   -1.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7753    0.7781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
  6 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 16 19  1  0
 13  3  1  0
 19  5  1  0
 13  7  2  0
M  END
$$$$
Mol_5654
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -4.6791    2.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5944    0.7168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2551    0.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1704   -1.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4251   -2.2785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8311   -2.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5765   -1.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7628   -1.9851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0174   -1.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3567   -1.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6114   -1.0163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5267    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7813    1.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1874    1.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9327    0.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5934    1.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5088    2.5077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6612    0.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0005    0.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0852    2.3610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
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 10 11  1  0
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 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 19  3  1  0
 18  7  1  0
 15  9  1  0
M  END
$$$$
Mol_5655
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
    5.8347   -2.3325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7751   -0.8337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4473   -0.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1791   -0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8513   -0.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5831   -1.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6426   -2.5390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448   -0.3424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0130   -1.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9534   -2.6422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2216   -3.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6090   -1.2466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4004    1.0532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7282    1.7510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7878    3.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1322    1.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4639    1.9575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917    1.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0599    2.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3877    1.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6559    2.1639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
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 10 11  1  0
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 13 14  1  0
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 16 17  1  0
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 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23  3  1  0
 21  5  2  0
 19  8  1  0
M  END
$$$$
Mol_5656
     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -3.9559    1.9023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1852    0.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0162   -0.5199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6177    0.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4486   -0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6780   -2.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0764   -2.9421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9498   -0.3746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    1.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5776    1.6503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7467    0.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5173   -0.7719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6864   -1.7117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0849   -1.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2539   -2.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0246   -3.5914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3142    0.3132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7127    0.8557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1451    1.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3745    2.7353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0101    2.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2395    3.5299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3883    1.5050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.3806   -1.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2115   -2.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8130   -1.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  4  3  1  6
  4  5  1  0
  5  6  1  6
  6  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  1
 11 10  1  6
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 23  4  1  0
 30 25  1  0
 19 11  1  0
M  END
$$$$
Mol_5657
     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
    2.2360   -3.6432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6776   -2.2096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6569   -1.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1946   -1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8261   -0.3457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2883   -0.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3090    0.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7713    0.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3845    1.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0777    1.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5193    2.8558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0984    0.3231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5607    0.6574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5814   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
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 11 12  1  0
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 13 14  1  0
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 16 17  1  0
 15  3  1  0
M  END
$$$$
Mol_5658
     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -2.7727    4.1991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5936    2.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
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 17 18  1  0
  7 19  1  0
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 29 30  2  0
 23  5  1  0
 30 25  1  0
 17  9  1  0
M  END
$$$$
Mol_5659
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
    5.8763   -2.5939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6666   -1.1087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7029   -0.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5215   -1.8351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8696   -1.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0511   -2.1983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4422   -1.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5660
     RDKit          2D

 48 53  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5661
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5662
     RDKit          2D

 53 62  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5663
     RDKit          2D

 42 49  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5664
     RDKit          2D

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$$$$
Mol_5665
     RDKit          2D

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M  END
$$$$
Mol_5666
     RDKit          2D

 49 56  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5667
     RDKit          2D

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M  END
$$$$
Mol_5668
     RDKit          2D

 49 57  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5669
     RDKit          2D

 47 55  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_5670
     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5671
     RDKit          2D

 21 24  0  0  0  0  0  0  0  0999 V2000
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   -3.8675   -1.9618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2611    0.2308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4634    2.6448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1336    1.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3502    2.1709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0181    0.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0697    0.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 11 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  1  0
 20  3  1  0
 20  7  1  0
 21  7  1  0
 21 10  1  0
M  END
$$$$
Mol_5672
     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
  -10.3923   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0933    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923   -0.3529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
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 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
M  END
$$$$
Mol_5673
     RDKit          2D

 18 21  0  0  0  0  0  0  0  0999 V2000
    4.8413    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3555    1.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4338    0.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8494   -0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2598   -1.3041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6072   -1.6338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4238   -0.7121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2541   -2.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2157   -2.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9545   -1.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4190   -0.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8702    0.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8570    1.6648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0170    1.9386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9771    0.8153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9413   -0.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
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 14 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  1  0
 17  3  1  0
 17  7  1  0
 18  7  1  0
 18 10  1  0
M  END
$$$$
Mol_5674
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -4.3793   -6.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2710   -5.0048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5921   -3.5396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0216   -3.0852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4838   -2.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0543   -2.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0540   -1.9726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2672   -0.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8412    0.5034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2707    0.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5918   -1.4163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0213   -1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3425   -3.3360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2342   -4.3468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1297   -0.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5592   -1.3145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8085    0.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9168    1.6159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3790    1.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0578    2.5248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6967   -0.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8050   -1.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1087   -0.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8062    1.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3154    1.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9342    2.6799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8259    3.6907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9921    5.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7842    6.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3663    5.7828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5221    2.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8443    3.5677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8247    1.4797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
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 13 14  1  0
 12 15  1  0
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 17 18  1  0
 17 19  1  0
 19 20  1  0
  8 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
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 25 26  1  0
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 27 28  1  0
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 28 30  1  0
 27 31  1  0
 31 32  2  0
 31 33  1  0
 22  5  1  0
 33 25  1  0
 19 10  1  0
 25 21  1  0
M  END
$$$$
Mol_5675
     RDKit          2D

 23 22  0  0  0  0  0  0  0  0999 V2000
   12.0442    3.7732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5742    3.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0979    2.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6280    1.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1517    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6818    0.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2055   -1.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7355   -1.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2593   -3.1112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7893   -3.4099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7956   -2.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3257   -2.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6680   -1.4613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1380   -1.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1316   -0.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6016   -0.9351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5953    0.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0652   -0.1102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0589    1.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5289    0.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5225    1.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9925    1.5397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9862    2.6633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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 10 11  1  0
 11 12  1  0
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 13 14  1  0
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 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
M  END
$$$$
Mol_5676
     RDKit          2D

 20 23  0  0  0  0  0  0  0  0999 V2000
    5.6160    0.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2198    1.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0469    0.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1139   -1.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3656   -1.9839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7095   -1.6841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7744   -0.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2610   -1.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2381   -1.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6511   -0.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9991    0.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2429   -0.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1387   -2.1026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5909    0.0517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1033    1.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8595    2.5669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5115    1.9090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9658    2.1690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6696    0.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4073    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
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  8  9  2  0
  9 10  1  0
 10 11  1  0
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 17 18  1  0
 18 19  1  0
 17 20  1  0
 19  3  1  0
 19  7  1  0
 20  7  1  0
 20 10  1  0
M  END
$$$$
Mol_5677
     RDKit          2D

 21 24  0  0  0  0  0  0  0  0999 V2000
    5.9599    0.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5789    1.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3813    0.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4080   -1.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370   -2.0719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9899   -1.7008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0867   -0.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5356   -1.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9616   -1.8051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3356   -0.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6654    0.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9313   -0.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8675   -1.9618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2611    0.2308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7293    1.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4634    2.6448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1336    1.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3502    2.1709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0181    0.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0697    0.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
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 14 15  1  0
 11 16  2  0
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 18 19  1  0
 19 20  1  0
 18 21  1  0
 20  3  1  0
 20  7  1  0
 21  7  1  0
 21 10  1  0
M  END
$$$$
Mol_5678
     RDKit          2D

 35 34  0  0  0  0  0  0  0  0999 V2000
   21.7120    0.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4139   -0.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1139    0.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8159   -0.3633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5159    0.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2178   -0.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 32 34  1  0
 34 35  1  0
M  END
$$$$
Mol_5679
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5680
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    1.6500    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6500   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6490    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0510   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  2  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
M  END
$$$$
Mol_5681
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -3.5624    0.9566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750    0.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4996   -0.6229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5632   -2.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8997    0.3738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3871    0.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2990    1.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
M  END
$$$$
Mol_5682
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -2.7415   -2.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2454   -2.7944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6175    2.3884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1137    2.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7197    1.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3748    2.6033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0570    0.1193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8981   -1.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9058   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  2  0
 13  3  1  0
M  END
$$$$
Mol_5683
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -7.4429   -0.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1103    0.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0403    1.6308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8476   -0.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5150    0.0114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3429   -0.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9771    1.3740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4969    1.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5684
     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.6689   -5.5015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27  5  1  0
 23  7  1  0
 17 13  2  0
M  END
$$$$
Mol_5685
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
    6.7311    1.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1735    0.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6159    0.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
  9 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18  5  1  0
 18  8  2  0
M  END
$$$$
Mol_5686
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1862    0.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6933    0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -0.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4412   -1.6618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3278   -0.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2926    1.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7855    1.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6580    0.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1509    0.2860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0376   -1.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5446   -1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11  5  1  0
M  END
$$$$
Mol_5687
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.1567   -2.3530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0543   -0.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2929   -0.1969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5377   -1.0338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8849   -0.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1297   -1.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4769   -0.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5793    0.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3345    1.7819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9873    1.1223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2991   -0.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1967    1.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4416    2.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7888    1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8911    0.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6463   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7487   -2.1757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 10  5  1  0
 16 11  1  0
M  END
$$$$
Mol_5688
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.5578   -4.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1209   -3.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1451   -2.1785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3403   -2.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9248   -1.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4193   -1.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9137   -1.8118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4982   -0.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3650    0.5524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3371    2.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6220    2.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9348    2.1005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5941    4.3259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0244    2.7778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7395    2.0038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7674    0.5041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5175   -0.2700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8302    0.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1151   -0.3183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4278    0.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7127   -0.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6848   -1.8663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4557    1.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7685    2.6329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1709    2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1988    4.1809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8581    1.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5733    2.7295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0802   -0.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7584   -3.1440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4735   -3.9180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3445   -5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 10 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 16 29  1  0
  6 30  1  0
 30 31  1  0
 31 32  2  0
 31  4  1  0
 29  6  1  0
 29  9  1  0
 27 18  1  0
M  END
$$$$
Mol_5689
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -3.8123   -1.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6987   -0.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0122    1.1850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2716   -0.7438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1580    0.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4715    1.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6420    2.7330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0691    2.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3827    0.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2691   -0.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5826   -1.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0097   -2.1295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690   -2.6725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 10  5  1  0
M  END
$$$$
Mol_5690
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1862    0.7785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6933    0.9240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -0.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4412   -1.6618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3278   -0.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2926    1.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7855    1.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6580    0.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1509    0.2860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0376   -1.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5446   -1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11  5  1  0
M  END
$$$$
Mol_5691
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.4653    0.6606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5353   -0.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0511   -0.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4968    1.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9874    1.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174    0.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4016    0.3512    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3631   -1.2595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1211   -1.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9  3  1  0
M  END
$$$$
Mol_5692
     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -5.6875    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2113    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7036    1.8948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2428   -0.6621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7666   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2589    1.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2173    1.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1858    0.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6621    0.4022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1697    1.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6460    2.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2012    2.9590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6782   -1.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6467   -2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1229   -2.1547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1390   -3.8323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7981   -1.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
  8 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 13 17  2  0
 17  5  1  0
M  END
$$$$
Mol_5693
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.4688   -1.6844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7848   -0.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5988    0.9104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2866   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5274   -1.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0255   -1.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7096   -0.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8956    1.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3975    1.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4166    2.3203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9  4  1  0
M  END
$$$$
Mol_5694
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.8297   -0.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4323   -1.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2615   -0.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4881    1.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3173    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0801    1.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3068    0.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -0.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1017   -1.0422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1360   -0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  3  0
  7 10  2  0
 10  3  1  0
M  END
$$$$
Mol_5695
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
    3.5140    0.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2602   -0.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9202    0.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3336   -0.6631    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6736    0.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9274   -0.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7598    1.5085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
M  END
$$$$
Mol_5696
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -5.1516   -2.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5864   -2.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5119   -0.1571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6754    0.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4374    2.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0358    2.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8722    1.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1103    0.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9468   -0.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4549   -0.0351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6184   -0.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3803   -2.4628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0200   -0.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1835   -1.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5851   -0.8598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8232    0.6211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6597    1.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2581    1.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0945    1.9802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
  9  4  1  0
 19 14  1  0
M  END
$$$$
Mol_5697
     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -2.6081   -2.2156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5255   -1.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0119   -1.2299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9293   -0.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3602    1.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8738    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9564    0.3590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4699    0.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9008    1.9479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5526   -0.6267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9339   -0.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8513   -1.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3377   -1.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9068   -0.0235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3933    0.1776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9624    1.5655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3107   -1.0091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9895    1.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5030    0.9622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 14 18  1  0
 18 19  2  0
  7  2  1  0
 19 11  1  0
M  CHG  2  15   1  17  -1
M  END
$$$$
Mol_5698
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.5191   -3.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8379   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2110   -1.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0612    0.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5954    0.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0539    1.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0793    3.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3774    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6206    1.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7397    0.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1386   -0.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3069    0.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3690   -1.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6449   -0.9390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8394   -0.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 10 14  1  0
 14 15  1  0
 15  2  1  0
 15  5  1  0
M  END
$$$$
Mol_5699
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.1137   -3.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8032   -2.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7801   -1.0977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4697   -0.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8176   -1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1281   -0.4079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4154   -1.1778    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7259   -0.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1512    1.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8639    1.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4465    1.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7339    1.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7107    3.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0443    1.1721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  6  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 11  4  1  0
M  END
$$$$
Mol_5700
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.6692   -2.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5454   -1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4215    0.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7629   -2.0732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3278   -0.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9603   -0.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8103   -2.4297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2572   -0.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1334   -1.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5170   -2.6462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3931   -3.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8856   -3.7137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5020   -2.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6258   -1.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6189    1.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0026    2.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8787    3.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3712    3.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9875    2.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1114    1.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4747    0.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8423    0.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0598    1.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9098    2.5673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5423    3.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3248    2.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  8 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
  8 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 14  9  1  0
 20 15  1  0
 26 21  1  0
M  END
$$$$
Mol_5701
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.6608    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5200    0.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1061    0.5170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9653   -0.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2384   -1.9319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4485    0.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7216    1.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1354    2.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2762    1.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0032   -0.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5893   -0.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3163   -2.4048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11  6  1  0
M  END
$$$$
Mol_5702
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1960    0.2004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7614    0.6385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6647   -0.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0026   -1.8463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2301    0.0532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1078    1.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5424    1.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6391    0.9294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3012   -0.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3979   -1.5554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8666   -0.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11  5  1  0
M  END
$$$$
Mol_5703
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
    5.5258   -0.2899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6835   -1.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3372   -2.8811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1874   -1.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3451   -2.6633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8491   -2.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1953   -1.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6470   -2.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0377    0.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3840    1.3869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1121    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9544    0.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4504    0.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1041    1.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2618    2.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6002    1.8225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2539    3.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4425    0.5813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7888   -0.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2928   -0.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1351   -2.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6391   -2.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1430   -2.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3007   -1.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4584    0.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5337   -0.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3812    1.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9768    0.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3438    1.7916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7869    2.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8629    1.1559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1539    3.6554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
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 16 18  1  0
 18 19  1  0
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 20 22  1  0
 22 23  1  0
 23 24  1  0
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  9 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 26  4  1  0
 24  7  1  0
 24 12  1  0
 20 13  1  0
M  END
$$$$
Mol_5704
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -4.1435   -0.7519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6946   -1.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6339   -0.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0222    1.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9615    2.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4874    2.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8756    0.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1850   -0.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2032   -1.9166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6521   -2.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7127   -1.2441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3245    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852    1.2654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
  8  3  1  0
 12  7  1  0
M  END
$$$$
Mol_5705
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -3.2559    0.9229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0371    0.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0282   -1.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5989   -1.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2755   -0.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7664   -0.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6552   -1.7304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3683    0.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4794    2.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0114    1.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6133    0.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  2  1  0
 11  5  1  0
M  END
$$$$
Mol_5706
     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
    8.3922   -2.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0669   -1.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7958   -2.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4705   -1.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4163   -0.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0910    0.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5308   -0.8186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9283    1.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4273    1.8717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0033    2.9984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5944    2.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6486    0.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4677    0.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9237    0.6198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1046   -0.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4961    0.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6770   -0.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0684   -0.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2493   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6408   -0.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8514    1.0107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8217   -1.3994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 12  6  1  0
M  END
$$$$
Mol_5707
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -2.8429   -1.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3465   -1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5073   -0.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5713   -1.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8775    0.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0338    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8199    2.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5502    1.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7065    0.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0766   -0.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2904    0.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2329   -1.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
  9  3  1  0
M  END
$$$$
Mol_5708
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -2.0761    2.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2269    1.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2685    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3110    2.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6589    1.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4495    0.0677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5280   -0.9747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9767   -0.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4022   -1.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1657   -2.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0240   -1.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5228   -0.1609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8732   -0.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9434   -1.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0940    0.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 13  2  1  0
  8  3  1  0
 12  8  1  0
M  END
$$$$
Mol_5709
     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
   -5.3871   -2.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6095   -0.7755    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -5.8320    0.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0929   -0.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1261   -0.5530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5770    0.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5114    2.0163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0936    1.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1593   -0.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3241    0.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8732    1.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3566    1.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2910    0.5592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7744    0.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7087   -0.3919    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    6.8822    0.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5353   -1.3262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6431   -1.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7419   -0.8367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2585   -1.0592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 15 18  1  0
 13 19  1  0
 19 20  2  0
 20 10  1  0
M  END
$$$$
Mol_5710
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -3.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 10 14  1  0
 14 15  1  0
 15  2  1  0
 14  5  1  0
M  END
$$$$
Mol_5711
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
  7  2  1  0
 12  4  1  0
M  END
$$$$
Mol_5712
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.6425   -3.0933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1619   -1.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3090   -1.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2992   -2.5048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7896    0.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2604    0.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7410    1.7579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2119    2.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2021    0.9255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6730    1.2197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7215   -0.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7118   -1.6221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2507   -0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2007    1.1694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6715    0.8752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6618    2.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1327    1.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1229    2.8343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6133    0.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841   -0.0076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6230   -0.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1036   -2.2609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1522   -0.5457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  2  0
  5 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  2  0
 23  2  1  0
 13  6  1  0
 23 15  1  0
M  END
$$$$
Mol_5713
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -9.5518   -1.0539    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -8.1534   -0.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9244    0.9714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5261    1.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3568    0.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9585    1.1175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7892    0.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3909    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2216   -0.2187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1767    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3460   -0.6154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7444   -0.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9137   -1.0121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3120   -0.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4813   -1.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 19 14  1  0
M  END
$$$$
Mol_5714
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.2757   -3.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 10  1  0
M  END
$$$$
Mol_5715
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -4.1422    0.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9905    0.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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  6  7  1  0
  7  8  1  0
  6  9  1  0
  9 10  1  0
  9 11  1  0
M  END
$$$$
Mol_5716
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -4.4169    1.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4645    0.4385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4547    1.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8796   -1.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3998   -1.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
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 12 13  1  0
 13  7  1  0
M  END
$$$$
Mol_5717
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -4.7248   -0.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4328   -0.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4850    1.3592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0691   -0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3611   -0.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0830    1.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
M  END
$$$$
Mol_5718
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.0000   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 16  3  1  0
 12  7  1  0
M  END
$$$$
Mol_5719
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.9619    2.9870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4085    1.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3393    0.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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 11  6  1  0
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M  END
$$$$
Mol_5720
     RDKit          2D

 31 36  0  0  0  0  0  0  0  0999 V2000
    7.1040    1.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7517    1.8128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 31 26  1  0
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M  END
$$$$
Mol_5721
     RDKit          2D

 23 28  0  0  0  0  0  0  0  0999 V2000
   -2.6190    2.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 17  1  6
M  END
$$$$
Mol_5722
     RDKit          2D

 28 32  0  0  0  0  0  0  0  0999 V2000
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 28 23  1  0
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M  END
$$$$
Mol_5723
     RDKit          2D

 24 29  0  0  0  0  0  0  0  0999 V2000
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 13  8  1  0
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M  END
$$$$
Mol_5724
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
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    0.6025   -0.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5725
     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
    5.3861    2.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7184    0.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3166   -2.7236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 26 21  1  0
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M  END
$$$$
Mol_5726
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5727
     RDKit          2D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5728
     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5729
     RDKit          2D

 27 31  0  0  0  0  0  0  0  0999 V2000
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 27 22  1  0
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M  END
$$$$
Mol_5730
     RDKit          2D

 25 30  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0
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M  END
$$$$
Mol_5731
     RDKit          2D

 25 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5732
     RDKit          2D

 27 31  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5733
     RDKit          2D

 25 30  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5734
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5735
     RDKit          2D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5736
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5737
     RDKit          2D

 23 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5738
     RDKit          2D

 30 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5739
     RDKit          2D

 23 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5740
     RDKit          2D

 25 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5741
     RDKit          2D

 26 31  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5742
     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5743
     RDKit          2D

 25 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5744
     RDKit          2D

 27 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5745
     RDKit          2D

 29 33  0  0  0  0  0  0  0  0999 V2000
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 18  7  1  0
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M  END
$$$$
Mol_5746
     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5747
     RDKit          2D

 36 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5748
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5749
     RDKit          2D

 22 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5750
     RDKit          2D

 28 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5751
     RDKit          2D

 22 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5752
     RDKit          2D

 25 30  0  0  0  0  0  0  0  0999 V2000
   -2.5935    3.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8240    1.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7515   -1.5203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8092   -2.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1517   -0.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1264    0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1785    0.8187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2399    1.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5041   -2.4897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9636   -2.1796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1500    1.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3366    0.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5921   -0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
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 23 24  2  0
 15 25  1  0
 14  3  1  0
 24 15  1  0
 25  3  1  0
 25  8  1  0
 14  9  1  0
 24 19  1  0
M  END
$$$$
Mol_5753
     RDKit          2D

 27 32  0  0  0  0  0  0  0  0999 V2000
   -2.7418   -2.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1441   -1.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6538   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2515   -2.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3589   -3.5438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1314   -3.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5020   -2.3272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0227   -0.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6639    0.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5416    1.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7387    0.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8365   -0.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7291   -1.9978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1514   -1.5214    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1379   -0.0215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2435    0.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9184    2.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4877    2.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3821    1.8935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7072    0.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0636    0.3961    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8413    2.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0487    0.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0367    0.0728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9293    1.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4196    1.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3316    2.6540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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  6  7  1  0
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  8  9  1  0
  9 10  1  0
 10 11  1  0
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 25 27  2  0
 12  3  1  0
 20 15  1  0
 23  3  1  0
  9  4  1  0
 20 12  1  0
 13  6  1  0
M  END
$$$$
Mol_5754
     RDKit          2D

 25 29  0  0  0  0  0  0  0  0999 V2000
    5.8670   -1.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6131   -0.4731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2058    0.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9586   -0.7871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7807    0.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3567   -0.3298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8998    0.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2823    1.0715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6242    2.5320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2629   -0.0636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7576    0.0626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3957    1.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4865   -1.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9206   -2.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8943   -3.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4338   -3.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0004   -2.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0259   -1.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0425    1.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0360    3.0254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5235    2.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2999    1.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7988    1.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2361    1.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3496    0.4094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  3  4  2  0
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 23  3  1  0
 22  5  1  0
 18  7  1  0
 24 19  1  0
 18 13  1  0
M  END
$$$$
Mol_5755
     RDKit          2D

 29 33  0  0  0  0  0  0  0  0999 V2000
    3.9120   -2.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5836   -0.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0810   -0.6194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7579    0.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0896    1.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3533    0.4260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2106    1.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3060    1.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6557    1.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6852    3.0978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8141    3.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7132    1.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3351    0.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0355   -0.2095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3665    0.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7997    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2838    2.3448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6637   -0.3011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1636   -0.3228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9323    0.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4321    0.9436    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7646   -1.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0552   -2.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9261   -3.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5064   -3.4767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2157   -2.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3449   -1.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5988   -0.4082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6877   -1.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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M  END
$$$$
Mol_5756
     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -5.7469    1.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9277    0.1623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4299    0.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0442    1.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8802    2.6391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4202    4.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3824    2.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8771    1.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4171    0.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0315   -0.9435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2909   -1.7582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4550   -0.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9369   -1.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8788    0.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9664   -3.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5182   -3.3391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 20  3  1  0
 17  9  1  0
 23 18  1  0
 17 12  1  0
M  END
$$$$
Mol_5757
     RDKit          2D

 29 33  0  0  0  0  0  0  0  0999 V2000
    5.6939   -3.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6416   -2.3281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7207   -1.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9405    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2649   -0.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5776    2.0349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0190    2.9234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  6  1  0
 29 16  1  0
 29 24  1  0
M  END
$$$$
Mol_5758
     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
   -5.7712   -1.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 26 21  1  0
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M  END
$$$$
Mol_5759
     RDKit          2D

 27 31  0  0  0  0  0  0  0  0999 V2000
   -6.2274   -0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3629    1.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0029   -0.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000   -2.9783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 23  3  1  0
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 20  9  1  0
 27 21  1  0
 20 15  1  0
M  END
$$$$
Mol_5760
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
    3.3753   -1.2765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1549   -0.4044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3497    1.9868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3578   -2.4227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1327   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7320   -0.8791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7445   -1.9859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1592    0.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  3  5  1  0
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 14  2  1  0
 16  5  1  0
 16  9  1  0
M  END
$$$$
Mol_5761
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
    5.0240   -1.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5479   -1.7766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5789   -0.6316    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0860    0.7801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5621    1.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1338    0.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3621    0.1358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 18  7  1  0
 18 11  1  0
M  END
$$$$
Mol_5762
     RDKit          2D

 27 31  0  0  0  0  0  0  0  0999 V2000
   -6.9113    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7318   -0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7345    2.3495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0744   -0.4710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21  8  1  0
 27 22  1  0
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M  END
$$$$
Mol_5763
     RDKit          2D

 24 29  0  0  0  0  0  0  0  0999 V2000
   -2.6236    2.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  2   5   1   7  -1
M  END
$$$$
Mol_5764
     RDKit          2D

 30 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5765
     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5766
     RDKit          2D

 27 31  0  0  0  0  0  0  0  0999 V2000
    5.2952   -3.8794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5767
     RDKit          2D

 27 31  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5768
     RDKit          2D

 41 46  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5769
     RDKit          2D

 39 44  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0
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 39 34  1  0
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M  END
$$$$
Mol_5770
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
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  3  6  1  0
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 11  6  1  0
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M  END
$$$$
Mol_5771
     RDKit          2D

 24 29  0  0  0  0  0  0  0  0999 V2000
   -2.4848    2.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8019    0.1139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1253    3.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4062    1.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  4  1  0
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 21  4  1  0
 22  8  1  0
 18 10  1  0
M  END
$$$$
Mol_5772
     RDKit          2D

 34 39  0  0  0  0  0  0  0  0999 V2000
   -8.1312    3.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0
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M  END
$$$$
Mol_5773
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
   11.4107   -0.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8444    2.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7598    1.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4136    3.3565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
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 10 11  2  0
 11 12  1  0
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 17 18  1  0
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 18 20  1  0
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 17 23  1  0
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 29 30  1  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 35  7  1  0
 34 10  1  0
 31 12  1  0
 29 15  1  0
M  END
$$$$
Mol_5774
     RDKit          2D

 31 36  0  0  0  0  0  0  0  0999 V2000
    6.3620    0.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9134    1.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8519    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1878   -0.4649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9520   -1.9463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4703   -2.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7904   -0.8426    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4544   -0.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1492   -0.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2425   -0.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1436   -2.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1720    1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5295    3.3651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0343    5.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1161    3.1209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  2  0
 17 18  1  0
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 10 22  1  0
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 23 24  1  0
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 28 29  1  0
 29 30  1  0
 29 31  2  0
  7  3  1  0
 25  8  1  0
 26  3  1  0
 21 10  1  0
 27 22  1  0
 21 16  1  0
M  END
$$$$
Mol_5775
     RDKit          2D

 28 33  0  0  0  0  0  0  0  0999 V2000
    6.5205    2.0184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1980    2.7261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9238    1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6013    2.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3271    1.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3755    0.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6981   -0.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9722    0.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4337   -1.8327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4728   -2.9145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0556   -4.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9477   -2.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2400   -3.3601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2937   -0.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1087    0.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7924    2.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2451    2.8057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2953    1.7347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8928    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2668   -1.1629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3378   -0.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7904    0.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4402   -0.0843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0377   -1.5293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7570   -1.0980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1209    0.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3900    0.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
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 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
  8  3  2  0
 25 14  1  0
 14  6  1  0
 28 16  1  0
 21 19  1  0
 28 23  1  0
M  END
$$$$
Mol_5776
     RDKit          2D

 14 16  0  0  0  0  0  0  0  0999 V2000
    3.4555    0.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9557    0.9112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0937    2.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3402    1.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8292    1.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4614    0.5189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9334    0.2307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4951   -0.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2070   -2.2591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2120   -2.7456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3427   -1.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0546   -0.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5166   -0.6234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3644    0.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 12  2  1  0
 14  4  1  0
 14  8  1  0
M  END
$$$$
Mol_5777
     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
   -5.1819   -0.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2647   -1.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7782   -1.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2088    0.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7223    0.2945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1948   -0.8925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3746   -2.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8611   -2.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9551   -0.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0370    2.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4766    2.5146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7690    0.3092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4339   -1.0354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3073    0.8631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1530    1.6822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    1.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6813   -0.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6257   -0.2591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2707    1.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8310    1.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7464    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  8  9  1  0
  9 10  1  0
 10 11  1  0
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 12 14  1  0
 14 15  1  0
  9 16  1  0
 16 17  1  0
 17 18  1  0
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 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
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 26 18  1  0
 16  5  1  0
 26 21  1  0
 19  6  1  0
M  END
$$$$
Mol_5778
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -4.7078    3.8117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3964    2.4791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5867    1.2164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0883    1.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2786    0.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7802    0.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0295   -1.1690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5279   -1.0991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3376   -2.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6490   -3.6944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4588   -4.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8360   -2.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5246   -0.9592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0230   -0.8893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7116    0.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9019    1.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5905    3.0385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4035    1.6360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4068    1.4962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.7737   -0.1861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  9 10  1  0
 10 11  1  0
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 12 13  2  0
 13 14  1  0
 14 15  2  0
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 16 17  2  0
 16 18  1  0
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 25 26  1  0
 26 27  1  0
 27 28  1  0
 26 29  2  0
 29 30  1  0
 29  3  1  0
 22  6  1  0
 20  8  1  0
 19 13  1  0
M  END
$$$$
Mol_5779
     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
    5.7313   -2.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6396   -0.8872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2972   -0.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -0.9107    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8967    0.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4299   -0.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7300    0.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0410    1.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2221    2.9956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1393    0.4849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6114    0.7728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0981    2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5069   -0.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5780
     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5781
     RDKit          2D

 25 29  0  0  0  0  0  0  0  0999 V2000
    5.6425    1.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 20  1  0
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M  END
$$$$
Mol_5782
     RDKit          2D

 27 30  0  0  0  0  0  0  0  0999 V2000
    4.0621   -1.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5783
     RDKit          2D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5784
     RDKit          2D

 28 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5785
     RDKit          2D

 24 28  0  0  0  0  0  0  0  0999 V2000
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 18  8  1  0
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M  END
$$$$
Mol_5786
     RDKit          2D

 37 44  0  0  0  0  0  0  0  0999 V2000
    4.4813    3.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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M  END
$$$$
Mol_5787
     RDKit          2D

 24 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5788
     RDKit          2D

 14 16  0  0  0  0  0  0  0  0999 V2000
    3.3934   -1.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4073    1.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3100    0.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  9  1  0
M  END
$$$$
Mol_5789
     RDKit          2D

 24 28  0  0  0  0  0  0  0  0999 V2000
   -6.2107    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5790
     RDKit          2D

 23 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5791
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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    1.2927    1.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5088    0.8747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8773    1.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0935    0.6109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4620    1.2251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0297    2.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3982    3.5954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8135    3.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9659    5.3515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4450    3.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2289    4.1231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1813   -0.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3974    0.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7659   -0.4401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 23 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
  6 32  1  0
 32 33  2  0
 33 34  1  0
 33  3  1  0
 19  7  2  0
 30 21  1  0
 16  9  1  0
M  END
$$$$
Mol_5792
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
    2.3897    2.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8154    1.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3282    1.4086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2462    0.0229    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8205   -1.3628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1395   -0.5514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3350   -2.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7207   -2.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6319    0.5973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8221   -0.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2078    0.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  4  9  1  0
  9 10  1  0
 10 11  1  0
M  END
$$$$
Mol_5793
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -8.5323   -0.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1465    0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9565   -0.4580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5707    0.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3807   -0.7974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9948   -0.2235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6090    0.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7769    0.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9669    0.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3527    0.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5427   -0.3283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9285    0.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1185   -0.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5044   -0.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  3  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
M  END
$$$$
Mol_5794
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
  -11.6913    0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3923   -0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0933    0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942   -0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952    0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952    0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942   -0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933    0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923   -0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6913    0.3553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
M  END
$$$$
Mol_5795
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
  9  2  1  0
M  END
$$$$
Mol_5796
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -7.7942   -0.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952    0.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -0.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952    0.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942   -0.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
M  END
$$$$
Mol_5797
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
    4.9790   -2.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5771   -1.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3382    0.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9363    0.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7732   -0.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6287    0.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7917   -0.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1936   -0.2814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3566   -1.2288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7585   -0.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8676    1.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2955    2.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6974    2.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  6 11  1  0
 11 12  1  0
 12 13  1  0
 13  4  1  0
M  END
$$$$
Mol_5798
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -2.6145   -1.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8561   -0.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2224    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483   -1.4503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5709   -0.5765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0361   -0.8979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4904   -2.3274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0470    0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5928    1.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1276    1.9613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    0.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    0.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2571    2.0820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12  2  1  0
 11  5  1  0
M  END
$$$$
Mol_5799
     RDKit          2D

 24 23  0  0  0  0  0  0  0  0999 V2000
  -14.9400   -0.3299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6387    0.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3419   -0.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0406    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7439   -0.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4426    0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1458   -0.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8445    0.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5477   -0.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2464    0.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9497   -0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6484    0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6484   -0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9497    0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2464   -0.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5477    0.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8445   -0.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1458    0.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4426   -0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7439    0.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0406   -0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3419    0.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6387   -0.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9400    0.3299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
M  END
$$$$
Mol_5800
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -5.0112    1.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6681    0.6025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4181    1.4317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    0.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4542   -2.8985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5473   -1.0789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5180    0.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    1.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0819    3.0900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  5  9  1  0
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 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
  7  2  1  0
 17 11  1  0
 18  4  1  0
M  END
$$$$
Mol_5801
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -5.0626    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8374    0.7070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4406    0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2154   -1.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3872   -2.2591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7501   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9753   -2.9622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9219   -0.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3188   -1.0892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2654    1.3303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8685    1.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6967    0.9403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2999    1.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0747    2.9699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  6 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
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 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
  8  3  1  0
 18 12  1  0
 19  5  1  0
M  END
$$$$
Mol_5802
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
    2.0105    2.3154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6949    0.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8813   -0.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3831   -0.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3013    1.1298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5123    2.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1722    3.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6415    4.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0430    6.3196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6703    3.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3548    5.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4840    2.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7958    1.3536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.2367   -2.4269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9249   -1.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1894    0.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6875    0.6824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5049    2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0067    2.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3222    3.5010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1931    0.9061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
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 14 15  1  0
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 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
  3 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 33  2  0
 25 34  1  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
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 39 40  1  0
 40 41  1  0
 40 42  2  0
 42  2  1  0
 14  5  1  0
 23 16  1  0
 33 26  1  0
 42 35  1  0
M  END
$$$$
Mol_5803
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -5.5802   -0.9937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0804   -0.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3086   -2.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3524    0.3432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8526    0.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1247    1.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3751    1.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1031    3.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1469    0.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6467    0.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4185   -0.8418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9183   -0.8164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6901   -2.1026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
M  END
$$$$
Mol_5804
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -4.0809   -2.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6235   -1.9057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2023   -0.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2384    0.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6958    0.2636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8171    2.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3597    2.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3236    1.3286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7449   -0.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2912   -1.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1300   -2.6353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7486   -0.8407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7848   -1.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2421   -1.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6634   -0.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6273    0.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1699    0.5989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1338    1.6836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5550    3.1232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
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 10 11  2  0
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 13 14  1  0
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 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
  9  3  1  0
 17 12  1  0
 18  8  1  0
M  END
$$$$
Mol_5805
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.8090   -0.5890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125   -0.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6528    0.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1563    0.9626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3195   -0.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1770   -0.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1394   -1.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5310   -0.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4288    0.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9739    1.0908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  6  1  0
M  END
$$$$
Mol_5806
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.8112    0.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4985   -0.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2136    0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9009   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6159    0.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3033   -0.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0183    0.3718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7056   -0.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4207    0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1080   -0.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1770    0.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4896   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7746    0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0873   -0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6849   -0.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9699    0.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2825   -0.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3102   -1.6142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5675    0.6594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8802   -0.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  6  7  1  0
  7  8  1  0
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  9 10  2  0
 10 11  1  0
 11 12  1  0
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 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
M  END
$$$$
Mol_5807
     RDKit          2D

 23 22  0  0  0  0  0  0  0  0999 V2000
  -11.0787   -0.1298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7581    0.5815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4818   -0.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.8848   -0.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5642    0.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2879   -0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3321   -1.8591    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0558   -2.6470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9673    0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
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 10 22  1  0
 22 23  1  0
M  END
$$$$
Mol_5808
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -6.6039   -0.0184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  3  1  0
 19 11  1  0
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M  END
$$$$
Mol_5809
     RDKit          2D

 30 30  0  0  0  0  0  0  0  0999 V2000
  -17.8690    0.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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 29 30  2  0
 30 24  1  0
M  END
$$$$
Mol_5810
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
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    0.6906    3.0578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 18 13  1  0
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M  END
$$$$
Mol_5811
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
    7.7917   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5812
     RDKit          2D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5813
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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    2.2913    2.3812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  3  4  2  0
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 11 14  2  0
 14 15  1  0
 14  3  1  0
M  END
$$$$
Mol_5814
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -5.3053    0.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2853   -0.6698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8028   -1.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  2  0
  9 11  1  0
  6 12  1  0
 12 13  2  0
 13  3  1  0
M  END
$$$$
Mol_5815
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.9240    3.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9263    2.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0693   -0.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3373   -1.0788    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
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    2.4803    2.9858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
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  5 13  1  0
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 19 20  2  0
 20 21  1  0
 21 22  2  0
  7  2  1  0
 20 15  1  0
 21  4  1  0
M  END
$$$$
Mol_5816
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.3914   -1.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7545    0.2058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2600    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2783   -0.8009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9  3  1  0
M  END
$$$$
Mol_5817
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.2226   -3.0661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9193   -1.5971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5842   -0.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8571    1.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3127    1.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0094    2.8099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5046   -1.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  6  7  1  0
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 14 15  1  0
 13 16  2  0
 16 17  1  0
 17 18  2  0
 18  2  1  0
  8  3  1  0
 18 11  1  0
M  END
$$$$
Mol_5818
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -6.9595    0.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5435    0.7877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4069   -0.1911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9909    0.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1143   -0.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3470   -1.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0459    0.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9006    2.0379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5463    0.7722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13  8  1  0
M  END
$$$$
Mol_5819
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.4558    1.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6067    0.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8624   -0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5115   -2.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2485   -0.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1314    1.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6730    1.5641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
M  END
$$$$
Mol_5820
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.4878   -1.7359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0963   -0.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4117   -0.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
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  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10  4  1  0
M  END
$$$$
Mol_5821
     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -8.2759    0.9409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 17 10  1  0
M  END
$$$$
Mol_5822
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5823
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5824
     RDKit          2D

 27 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5825
     RDKit          2D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5826
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
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  9 10  1  0
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M  END
$$$$
Mol_5827
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 11  5  1  0
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M  END
$$$$
Mol_5828
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5829
     RDKit          2D

 49 55  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5830
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5831
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0
 10  5  1  0
M  END
$$$$
Mol_5832
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5833
     RDKit          2D

  8 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5834
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.2771   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0
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M  END
$$$$
Mol_5835
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5836
     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5837
     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
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   -2.7709    1.3171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.2088    0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2049    2.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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 15 16  1  0
 15 17  1  0
M  END
$$$$
Mol_5838
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
    0.3273    0.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3973   -0.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5057    0.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8973   -0.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1548    1.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6027   -0.1552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3602   -1.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1397   -1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  9  2  1  0
 10  4  1  0
M  END
$$$$
Mol_5839
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
    2.8505    2.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5463    1.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5557   -0.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0467    0.0681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8124   -1.3993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3436   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2805   -2.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2097   -1.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0107   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0048   -0.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5043   -0.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6603    3.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0891    1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1791    0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
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  8  9  1  0
  8 10  2  0
 10 11  1  0
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 15 16  1  0
 16 17  1  0
 17  2  1  0
 17  6  1  0
 15 10  1  0
M  END
$$$$
Mol_5840
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.7822    1.0839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4075    0.4839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2398   -1.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8650   -1.6068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3420   -0.7163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7168   -1.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9238   -0.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    1.0648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3814    1.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1743    0.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
M  END
$$$$
Mol_5841
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  4  3  1  1
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  6
 11 12  1  0
 11 13  1  0
  5 14  1  0
 14 15  1  0
 15  2  1  0
 10  4  1  0
M  END
$$$$
Mol_5842
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -6.8375   -0.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4593    0.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8792   -0.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9026   -1.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2809   -0.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4573    0.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8355    1.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    0.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8609   -0.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4827   -1.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1228    1.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3246    2.0701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
  6 14  1  0
 14 15  1  0
 13  8  1  0
M  END
$$$$
Mol_5843
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -5.3395   -0.8603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9592   -0.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7777    1.2160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7605   -1.1747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1988   -0.9017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3975   -1.8033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7777   -1.2160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9592    0.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3395    0.8603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7605    1.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3802    0.5873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1815    1.4890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1988    0.9017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3975    1.8033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
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 13 14  1  0
 14 15  1  0
 15 16  2  0
 15  5  1  0
 13  7  1  0
M  END
$$$$
Mol_5844
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4949   -2.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9338   -1.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3955   -1.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8118    1.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3275    2.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1342    1.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5732    0.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0348    0.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3718    1.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6978   -1.4556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4965   -0.3309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5505   -0.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9895   -2.1886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9112   -0.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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 17  2  1  0
 17  6  1  0
M  END
$$$$
Mol_5845
     RDKit          2D

 16 19  0  0  0  0  0  0  0  0999 V2000
    2.4994    2.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2343    1.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2729    0.0843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645   -1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0881   -0.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5287   -2.9006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4471   -2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8841    0.5133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2308    1.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4582    0.0787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3489    1.5747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 11  5  1  0
 14  9  1  0
M  END
$$$$
Mol_5846
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.5244   -0.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0601   -0.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6096    1.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
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  6  8  1  0
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  5 11  1  0
 11 12  1  0
 12  2  1  0
M  END
$$$$
Mol_5847
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0442   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4027   -1.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5848
     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.2985   -1.8560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0
 19 14  1  0
M  END
$$$$
Mol_5849
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
    0.8116   -2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  9  1  0
  9 10  1  0
  9 11  1  0
  9  2  1  0
  8  4  1  0
M  END
$$$$
Mol_5850
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -7.2563    3.1320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5851
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
    8.1900   -1.8102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5852
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5853
     RDKit          2D

 23 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5854
     RDKit          2D

 24 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5855
     RDKit          2D

 40 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5856
     RDKit          2D

 44 47  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5857
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5858
     RDKit          2D

 46 51  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5859
     RDKit          2D

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M  END
$$$$
Mol_5860
     RDKit          2D

 44 47  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_5861
     RDKit          2D

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M  END
$$$$
Mol_5862
     RDKit          2D

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$$$$
Mol_5863
     RDKit          2D

 36 40  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_5864
     RDKit          2D

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Mol_5865
     RDKit          2D

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Mol_5866
     RDKit          2D

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Mol_5867
     RDKit          2D

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M  END
$$$$
Mol_5868
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5869
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0
M  END
$$$$
Mol_5870
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
   -6.1431    2.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5871
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
    4.0357    1.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4381    1.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5872
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5873
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5874
     RDKit          2D

 27 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5875
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5876
     RDKit          2D

 22 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5877
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5878
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5879
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5880
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5881
     RDKit          2D

 27 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5882
     RDKit          2D

 23 27  0  0  0  0  0  0  0  0999 V2000
    3.0426   -2.6769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 16 10  1  0
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M  END
$$$$
Mol_5883
     RDKit          2D

 23 27  0  0  0  0  0  0  0  0999 V2000
    0.7773   -2.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5884
     RDKit          2D

 35 41  0  0  0  0  0  0  0  0999 V2000
   -6.2655    0.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5885
     RDKit          2D

 23 27  0  0  0  0  0  0  0  0999 V2000
   -0.7773   -2.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5886
     RDKit          2D

 38 44  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5887
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
  -12.2516    1.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2131    1.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5888
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
  -13.1037    0.4664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5889
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.0292   -2.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5890
     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
    6.5093   -2.1678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5891
     RDKit          2D

 24 28  0  0  0  0  0  0  0  0999 V2000
    0.8230    4.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5892
     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 16  4  1  0
 13  6  1  0
 15 13  1  0
M  END
$$$$
Mol_5893
     RDKit          2D

 23 27  0  0  0  0  0  0  0  0999 V2000
    1.0061    4.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23  5  1  0
 13  7  2  0
 16 11  1  0
M  END
$$$$
Mol_5894
     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -7.9354   -1.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5895
     RDKit          2D

 24 28  0  0  0  0  0  0  0  0999 V2000
    0.8230    4.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2353    3.2610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 13  7  2  0
 17 11  1  0
M  END
$$$$
Mol_5896
     RDKit          2D

 24 28  0  0  0  0  0  0  0  0999 V2000
    1.1948    4.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    3.2925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 16 11  1  0
M  END
$$$$
Mol_5897
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5898
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5899
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5900
     RDKit          2D

 58 59  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_5901
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5902
     RDKit          2D

 57 56  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5903
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5904
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5905
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5906
     RDKit          2D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5907
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 26 17  1  0
M  END
$$$$
Mol_5908
     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
    9.7517   -2.1453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 29  3  1  0
 27  9  1  0
 25 16  1  0
M  END
$$$$
Mol_5909
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
    7.7197   -2.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0214   -1.4940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6248    1.4447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 24  3  1  0
 21 13  1  0
M  END
$$$$
Mol_5910
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.1510   -1.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 10  1  0
M  END
$$$$
Mol_5911
     RDKit          2D

 23 27  0  0  0  0  0  0  0  0999 V2000
    1.0061    4.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5912
     RDKit          2D

 24 28  0  0  0  0  0  0  0  0999 V2000
    1.1948    4.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5913
     RDKit          2D

 49 48  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5914
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5915
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5916
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5917
     RDKit          2D

 36 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5918
     RDKit          2D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5919
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5920
     RDKit          2D

 36 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5921
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5922
     RDKit          2D

 36 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5923
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5924
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5925
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5926
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5927
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5928
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.5988    0.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7848   -0.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0
  9  4  1  0
M  END
$$$$
Mol_5929
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.7500    3.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5930
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
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  9 10  1  0
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M  END
$$$$
Mol_5931
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.2964    3.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5932
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5933
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5934
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5935
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5936
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5937
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
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 14  7  1  0
M  END
$$$$
Mol_5938
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  CHG  1  11  -1
M  END
$$$$
Mol_5939
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5940
     RDKit          2D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5941
     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5942
     RDKit          2D

 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5943
     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_5944
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_5945
     RDKit          2D

 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5946
     RDKit          2D

 32 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5947
     RDKit          2D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5948
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5949
     RDKit          2D

 32 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5950
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5951
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5952
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
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 21  2  1  0
 10  4  1  0
 21 14  1  0
M  END
$$$$
Mol_5953
     RDKit          2D

 31 33  0  0  0  0  0  0  0  0999 V2000
  -10.0311    1.6293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 30 31  1  0
 31  7  1  0
 30 11  1  0
 25 19  1  0
M  END
$$$$
Mol_5954
     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -9.9014    1.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4071    1.4015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7919   -2.2139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
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 30  7  1  0
 29 11  1  0
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M  END
$$$$
Mol_5955
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -6.9406   -1.2264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0681   -0.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2131    1.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7926    0.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6477    2.2376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5956
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5957
     RDKit          2D

 35 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5958
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5959
     RDKit          2D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5960
     RDKit          2D

 37 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5961
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5962
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5963
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5964
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5965
     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5966
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5967
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5968
     RDKit          2D

 40 42  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_5969
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5970
     RDKit          2D

 29 33  0  0  0  0  0  0  0  0999 V2000
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 27 13  1  0
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M  END
$$$$
Mol_5971
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
    8.5898   -3.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3020    0.9306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5972
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.5069   -0.3823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0070   -0.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1313   -0.0018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0
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M  END
$$$$
Mol_5973
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.5634    3.6844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5974
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5975
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0
 10 12  2  0
 12  5  1  0
M  END
$$$$
Mol_5976
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
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 12 13  1  0
 12  4  1  0
M  END
$$$$
Mol_5977
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -4.2741   -1.4221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0
 11 13  2  0
 13  6  1  0
M  END
$$$$
Mol_5978
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
    5.3051   -3.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0216   -2.3157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4547    0.3199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21  7  1  0
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M  END
$$$$
Mol_5979
     RDKit          2D

 40 44  0  0  0  0  0  0  0  0999 V2000
    2.0080    3.8549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_5980
     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5981
     RDKit          2D

 34 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5982
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5983
     RDKit          2D

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$$$$
Mol_5984
     RDKit          2D

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$$$$
Mol_5985
     RDKit          2D

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$$$$
Mol_5986
     RDKit          2D

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$$$$
Mol_5987
     RDKit          2D

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$$$$
Mol_5988
     RDKit          2D

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$$$$
Mol_5989
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$$$$
Mol_5990
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 18  9  1  0
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M  END
$$$$
Mol_5991
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5992
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
  -10.3287   -0.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 32  9  1  0
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M  END
$$$$
Mol_5993
     RDKit          2D

 57 62  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5994
     RDKit          2D

 58 63  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5995
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_5996
     RDKit          2D

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M  END
$$$$
Mol_5997
     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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 16 17  2  0
 17 11  1  0
M  END
$$$$
Mol_5998
     RDKit          2D

 96101  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_5999
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
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   10.8484    0.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 19 20  1  0
M  END
$$$$
Mol_6000
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
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    8.2109    1.8666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5022   -0.3878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
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 17 18  2  0
 17 19  1  0
M  END
$$$$
Mol_6001
     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -6.1898   -1.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7483   -1.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3867    0.4079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4666    1.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6562   -0.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1776   -1.4713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  3  5  1  0
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  5  7  1  0
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 16 17  2  0
 17 11  1  0
M  END
$$$$
Mol_6002
     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -6.0244   -1.1629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5709   -0.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5233   -1.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6638   -0.0516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7920   -1.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3384   -1.4580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
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  9 10  1  0
 10 11  2  0
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 13 14  1  0
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 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 12  1  0
M  END
$$$$
Mol_6003
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
  -11.1780    0.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8542    0.7113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5815   -0.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2576    0.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9849   -0.1711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0360   -1.6703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3883   -0.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5321    0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9184    0.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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  5  7  1  0
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 13 14  1  0
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 17 19  1  0
 19 20  1  0
M  END
$$$$
Mol_6004
     RDKit          2D

 64 72  0  0  0  0  0  0  0  0999 V2000
   -7.3996    4.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3831    3.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17  9  1  0
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 42 35  1  0
M  END
$$$$
Mol_6005
     RDKit          2D

 29 33  0  0  0  0  0  0  0  0999 V2000
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 20  6  1  0
 13  7  1  0
 20 15  1  0
 23  9  1  0
M  END
$$$$
Mol_6006
     RDKit          2D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -1.2990   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5000    0.0000 Sn  0  0  0  0  0  2  0  0  0  0  0  0
    1.2990   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
M  RAD  1   2   3
M  END
$$$$
Mol_6007
     RDKit          2D

 41 45  0  0  0  0  0  0  0  0999 V2000
   -9.8348    3.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5134    1.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0838    1.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7624   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3328   -0.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0114   -1.9201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1195   -2.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5818   -2.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1090   -3.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6090   -3.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1548   -2.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7885   -1.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4307   -2.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7971   -1.9943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9441   -0.5015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3105    0.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4575    1.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8239    2.2293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0431    1.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8960   -0.1372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1153   -1.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6019   -3.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9950    1.7198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5565    3.4673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2383    2.4840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7249    0.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4943    1.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6414   -0.2468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8607    0.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2270    0.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3741   -1.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6779   -0.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9756    2.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2970    3.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5460    2.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 17 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
  3 39  1  0
 39 40  1  0
 39 41  1  0
 37  8  1  0
 37 11  1  0
 34 12  1  0
 32 15  1  0
 28 19  1  0
M  END
$$$$
Mol_6008
     RDKit          2D

 27 30  0  0  0  0  0  0  0  0999 V2000
    3.9410   -4.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2043   -3.0664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0571   -2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6466   -2.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4994   -1.6438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7628   -0.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3844    0.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1211    2.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6172    2.3836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4584    1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9546    1.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7958    0.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1408   -1.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6447   -1.4497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8035   -0.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2847   -2.9059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5583   -3.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7055   -2.7319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3200    1.8598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1612    3.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2400    4.2855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1705    3.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4124    4.6164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1733    0.3432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3205   -0.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7310   -0.1130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9944    1.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
  8 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
  6 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 25  3  1  0
 22  8  1  0
 15 10  1  0
 18 13  1  0
M  END
$$$$
Mol_6009
     RDKit          2D

 55 62  0  0  0  0  0  0  0  0999 V2000
   -3.9873    2.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2668    1.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1302    0.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4097   -1.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2731   -2.1734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8571   -1.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5776   -0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8384    0.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9749   -0.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2544    0.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6955   -2.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8320   -3.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2481   -2.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5275   -1.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6641   -2.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3910   -0.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6704    1.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0865    1.7746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2230    0.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4126   -0.6923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8864   -0.9717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6076    0.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0676    0.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4995    2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7258    4.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8257   -1.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1052   -3.1631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9623   -0.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3783   -1.2053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5149   -0.2264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.2291    4.6788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.0675    0.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4835   -0.2372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9309   -0.7213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2104   -2.1950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6828    0.7633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8194    1.7422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  1
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  7  8  1  0
  8  9  1  0
  9 10  1  1
  9 11  1  0
 11 12  1  1
 12 13  1  0
 13 14  1  0
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 17 18  2  0
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 29 28  1  6
 22 30  1  0
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 33 34  1  6
 11 35  1  0
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 37 38  1  0
  4 39  1  0
 39 40  1  6
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 41 42  1  1
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 43 44  1  0
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 41 54  1  0
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 54  2  1  0
 35  6  1  0
 52 43  1  0
 16  9  1  0
 29 19  1  0
 33 14  1  0
 33 19  1  0
 29 22  1  0
M  END
$$$$
Mol_6010
     RDKit          2D

 27 30  0  0  0  0  0  0  0  0999 V2000
    6.9800    0.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8453    1.2159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4284    0.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1461   -0.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -1.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5944   -0.2606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1775   -0.7527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1048   -2.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9212   -3.3202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1975   -4.6341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2757   -4.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3700   -5.3778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625   -2.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5229    0.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5531    1.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1507    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1205    0.0836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2854    2.5643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7030    3.9466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2084    3.8199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8767    1.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2937    1.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5759    3.1780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4412    4.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
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 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
  6 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 25  3  1  0
 13  8  1  0
 20 15  1  0
 23 18  1  0
M  END
$$$$
Mol_6011
     RDKit          2D

 55 61  0  0  0  0  0  0  0  0999 V2000
   -7.7446    3.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4428    2.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1465    3.5209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8447    2.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2467    2.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2411    1.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0607    0.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3569    1.2949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625   -0.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8392    1.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5374    0.5305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1355    0.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1299   -0.9791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4262   -1.7339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7280   -0.9887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0242   -1.7435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3260   -0.9983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6223   -1.7530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0187   -3.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3150   -3.9982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7169   -3.9886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7114   -5.4886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4207   -3.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1189   -3.9791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4373    1.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7335    0.5113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  1
  6  5  1  6
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  6
  9 11  1  0
 11 12  1  6
 12 13  1  0
 13 14  1  0
 14 15  1  6
 14 16  1  0
 16 17  1  6
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 22 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  6
 28 29  1  0
 27 30  1  0
 30 31  1  1
 30 32  1  0
 32 33  1  0
 33 34  1  1
 11 35  1  0
 35 36  1  6
 35 37  1  0
 37 38  1  0
  4 39  1  0
 39 40  1  6
 39 41  1  0
 41 42  1  1
 43 42  1  1
 43 44  1  0
 44 45  1  0
 45 46  1  1
 46 47  1  0
 45 48  1  0
 48 49  1  6
 48 50  1  0
 50 51  1  1
 50 52  1  0
 52 53  1  6
 41 54  1  0
 54 55  1  1
 54  2  1  0
 35  6  1  0
 52 43  1  0
 16  9  1  0
 33 19  1  0
 33 14  1  0
 27 20  1  0
M  END
$$$$
Mol_6012
     RDKit          2D

 63 71  0  0  0  0  0  0  0  0999 V2000
    9.1010    2.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7419    1.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2369    1.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0909    2.4562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8777   -0.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0237   -1.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5288   -1.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3892   -0.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5396   -0.7015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4000   -0.0774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7655    1.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2717    1.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4068    0.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9130    0.3233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7779    1.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2841    1.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7903    1.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0746    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5684    0.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1973    2.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3325    3.3193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9614    4.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0965    5.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4552    4.8173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0841    6.1791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3201    3.5918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8139    3.7280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6911    2.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5560    1.0044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0498    1.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6787    2.5024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1725    2.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8015    4.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2953    4.1367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0374    1.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5312    1.5493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4085    0.0513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2734   -1.1742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9147   -0.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2858   -1.4467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1506   -2.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  1
  2  3  1  0
  3  4  1  6
  3  5  1  0
  5  6  1  0
  7  6  1  1
  7  8  1  0
  8  9  1  0
 10  9  1  1
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 11 12  2  0
 13 12  1  1
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 17 18  1  0
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 31 32  1  0
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 32 35  1  0
 35 36  1  6
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 43 44  1  0
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 46 47  1  1
 46 48  1  0
 48 49  1  6
 18 50  1  0
 50 51  1  0
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 10 63  1  0
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 61  7  1  0
 63  7  1  0
 58 10  1  0
 56 13  1  0
 53 14  1  0
 28 20  1  0
 39 30  1  0
 48 41  1  0
M  END
$$$$
Mol_6013
     RDKit          2D

 57 63  0  0  0  0  0  0  0  0999 V2000
    1.3866   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3486   -1.6297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6283   -0.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5431   -1.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5811   -2.9977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8987   -3.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9639   -4.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  1
  7  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
 11 12  1  0
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 13 14  1  6
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 16 18  1  0
 18 19  1  0
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 34 35  1  1
 34 36  1  0
 36 37  1  1
 36 38  1  0
 38 39  1  1
 40 39  1  1
 40 41  1  0
 41 42  1  0
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 30 53  1  0
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 53 55  1  0
 55 56  1  0
 26 57  1  0
 57  3  1  6
 19  5  1  0
 57 21  1  0
 13  6  1  0
 53 25  1  0
 51 32  1  0
 49 40  1  0
M  END
$$$$
Mol_6014
     RDKit          2D

 82 90  0  0  0  0  0  0  0  0999 V2000
    1.8597    4.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5409    3.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7399    1.7398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.9602   -3.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.2623   -4.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7376    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0397    2.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2364    1.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0373    2.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2340    1.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7329    1.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0350    2.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5338    2.6512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0326    2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2293    1.2044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7620    3.2736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.8312    3.7410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4308    0.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3846   -1.7322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  6
  7  8  2  0
  7  9  1  0
 10  9  1  1
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 11 12  1  0
 12 13  1  1
 13 14  1  0
 15 14  1  1
 15 16  1  0
 16 17  1  0
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 12 48  1  0
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 50 51  1  1
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 52 53  1  6
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 54 55  1  1
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 64 65  1  6
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 66 67  2  0
 66 68  2  0
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 78 56  1  0
 81  6  1  0
 52 10  1  0
 76 59  1  0
 46 15  1  0
 73 60  1  0
 29 20  1  0
 40 31  1  0
M  CHG  1  69  -1
M  END
$$$$
Mol_6015
     RDKit          2D

 28 32  0  0  0  0  0  0  0  0999 V2000
    6.4918   -1.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2617   -1.9242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4164    0.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2881    2.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5182    3.1954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9296    2.9731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2441   -2.5389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4970    3.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9321    2.5830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0064    4.4368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4934    4.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 10 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
  9 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 22  3  1  0
 20  5  1  0
 28  8  1  0
 16 11  1  0
 19 14  1  0
M  END
$$$$
Mol_6016
     RDKit          2D

 66 73  0  0  0  0  0  0  0  0999 V2000
   -9.8847    3.8681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9720   -1.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_6017
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
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   -2.6370   -4.9686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_6018
     RDKit          2D

 27 31  0  0  0  0  0  0  0  0999 V2000
    4.4752   -4.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 10 11  1  0
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M  END
$$$$
Mol_6019
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -3.4354   -3.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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M  END
$$$$
Mol_6020
     RDKit          2D

 55 62  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6021
     RDKit          2D

 64 72  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6022
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6023
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_6024
     RDKit          2D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6025
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_6026
     RDKit          2D

 15 18  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_6027
     RDKit          2D

 55 61  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_6028
     RDKit          2D

 61 68  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6029
     RDKit          2D

 61 68  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6030
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.1766   -1.7105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5782    2.4961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  2  0
 10 11  1  0
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M  END
$$$$
Mol_6031
     RDKit          2D

 20 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6032
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6033
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6034
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6035
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6036
     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6037
     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6038
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6039
     RDKit          2D

 25 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6040
     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6041
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6042
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6043
     RDKit          2D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6044
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6045
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6046
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6047
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6048
     RDKit          2D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6049
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6050
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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   -4.2425    3.2094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4254    1.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 20  2  0
  9  3  1  0
 20 13  1  0
M  END
$$$$
Mol_6051
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -5.3510   -2.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9398   -2.3404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2635   -0.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
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 16 17  2  0
  7 18  2  0
 18  3  1  0
 17 12  1  0
M  END
$$$$
Mol_6052
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.1260   -2.9543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1149   -1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1032    1.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  4  5  1  0
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  9  3  1  0
 20 14  1  0
M  END
$$$$
Mol_6053
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
    6.7493   -0.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2610   -0.7149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 25  5  1  0
 25 10  1  0
 22 13  1  0
 19 15  2  0
M  END
$$$$
Mol_6054
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -5.4233    2.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0107    2.1179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6587    0.0855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2537   -2.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.2975    0.1761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 18  7  1  0
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M  END
$$$$
Mol_6055
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.1967   -3.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6924    2.7159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1879   -0.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 14  9  1  0
M  END
$$$$
Mol_6056
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.3086   -1.9078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_6057
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
    6.6724   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_6058
     RDKit          2D

 27 31  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6059
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6060
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6061
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6062
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6063
     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6064
     RDKit          2D

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M  END
$$$$
Mol_6065
     RDKit          2D

 44 51  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_6066
     RDKit          2D

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M  END
$$$$
Mol_6067
     RDKit          2D

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$$$$
Mol_6068
     RDKit          2D

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M  END
$$$$
Mol_6069
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6070
     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_6071
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_6072
     RDKit          2D

 53 57  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6073
     RDKit          2D

 34 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6074
     RDKit          2D

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M  END
$$$$
Mol_6075
     RDKit          2D

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M  END
$$$$
Mol_6076
     RDKit          2D

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$$$$
Mol_6077
     RDKit          2D

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M  END
$$$$
Mol_6078
     RDKit          2D

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M  END
$$$$
Mol_6079
     RDKit          2D

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M  END
$$$$
Mol_6080
     RDKit          2D

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M  END
$$$$
Mol_6081
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6082
     RDKit          2D

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$$$$
Mol_6083
     RDKit          2D

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$$$$
Mol_6084
     RDKit          2D

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$$$$
Mol_6085
     RDKit          2D

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$$$$
Mol_6086
     RDKit          2D

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$$$$
Mol_6087
     RDKit          2D

 35 36  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_6088
     RDKit          2D

 44 48  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_6089
     RDKit          2D

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M  END
$$$$
Mol_6090
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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   -2.8976    0.4747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9730    0.2618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9573   -1.3774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4763   -1.6151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
  9 13  1  0
 13 14  2  0
 14  6  1  0
M  END
$$$$
Mol_6091
     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -5.3195    0.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6076   -0.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958   -2.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9280   -1.5647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2873   -0.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2436    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9232    2.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6466    1.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6737    1.9944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9504    1.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9067   -0.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1833   -1.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7365   -2.6552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5473    1.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2707    1.9186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6903   -0.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0107   -0.9286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 13 16  1  0
 16 17  2  0
  8 18  1  0
 18 19  2  0
 19  5  1  0
 17 10  1  0
M  END
$$$$
Mol_6092
     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -3.2621    2.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5271    0.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9383    0.2285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3811   -0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6461   -1.7070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9699    0.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7049    1.7544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8509    2.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5859    4.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1761   -0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0889   -2.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5001   -2.6747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7651   -4.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0571   -3.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4683   -2.6252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1444   -0.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4095    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2634    1.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5285    3.2804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8523    1.2953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5873   -0.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  6 10  1  0
 10 11  2  0
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 14 15  2  0
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 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 10  1  0
 22 16  2  0
M  END
$$$$
Mol_6093
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -6.9486    0.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5602    0.6413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3743   -0.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9859    0.2905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -0.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4116   -0.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7742   -0.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1627   -0.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3652    1.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7536    1.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9395    0.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7369   -0.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3485   -1.3297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
M  END
$$$$
Mol_6094
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -5.9021    1.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7552    0.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3445    0.5976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1976   -0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4615   -1.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7869    0.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3599   -0.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7706   -0.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0345    1.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4452    1.6701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5920    0.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3282   -0.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9175   -1.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
M  END
$$$$
Mol_6095
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -4.0621   -1.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4027   -0.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2398    1.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9062   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2468    1.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2496    1.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0868    0.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5832    0.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2426    1.6246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4203   -0.9674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9168   -0.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4274   -1.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0691   -1.2752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
  7 12  1  0
 12 13  1  0
 13  4  1  0
M  END
$$$$
Mol_6096
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -2.5874    2.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7229    0.9304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3522   -0.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7138    0.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9815   -1.7928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9906   -1.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2352   -0.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5968   -0.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8226    0.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9581    1.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6872   -1.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0484    0.9037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
M  END
$$$$
Mol_6097
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.1442    1.2012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3117    0.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7110    0.7996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0798   -1.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6805   -1.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4870   -0.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8864   -1.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0539   -0.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8220    1.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4227    1.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2552    0.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
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  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
M  END
$$$$
Mol_6098
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.8935    1.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9686    0.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5290   -1.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0141   -1.3665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4835    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9232    1.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5620    2.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4869    0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0472    2.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9720    1.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8969   -0.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3365   -1.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8514   -1.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2911   -3.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9265   -0.5247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5586   -0.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  1  0
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 13 14  1  0
 13 15  1  0
 15 16  1  0
 16  5  1  0
 15  8  1  0
M  END
$$$$
Mol_6099
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -2.8429   -1.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3465   -1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5073   -0.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5713   -1.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8775    0.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0338    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8199    2.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5502    1.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7065    0.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0766   -0.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2904    0.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2329   -1.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
  9  3  1  0
M  END
$$$$
Mol_6100
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -6.1365    0.6731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9545   -0.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5637    0.3115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3817   -0.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9909   -0.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1911   -0.9736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5819   -0.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7907    1.0737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1814    1.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3635    0.7121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1547   -0.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7639   -1.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
M  END
$$$$
Mol_6101
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
    2.1889   -2.4844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7256   -1.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8100   -0.0213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6757    1.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4240    2.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0027    1.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5299    0.4317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2392   -0.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7479   -1.9856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1271   -1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9924    0.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4922    0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1712    1.5874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
  8  2  1  0
 11  7  1  0
M  END
$$$$
Mol_6102
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.6399    0.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3222   -0.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0426    0.5444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2751   -0.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5754   -1.4078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8501    1.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3454    1.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6945   -0.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4150   -1.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
M  END
$$$$
Mol_6103
     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -3.6042   -2.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7738   -1.3318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2767   -1.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6102   -2.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8868   -2.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7173   -1.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2143   -1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0448   -0.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3782    0.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2087    2.1317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8812    0.9772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0507   -0.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4463   -0.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1128    1.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2824    2.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9489    3.7594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6098    1.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2764    2.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4403    0.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 14 17  2  0
 17 18  1  0
 17 19  1  0
 13  3  1  0
 12  6  1  0
M  END
$$$$
Mol_6104
     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
    4.2863   -0.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5155   -2.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0157   -2.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9915   -3.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0398   -0.6726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3508    0.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750    1.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6859    2.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7101    3.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9727    1.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5159   -2.1482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2131   -0.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5577    0.4495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7129   -0.8131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4419    0.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9417    0.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7125   -0.7647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2123   -0.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9413    0.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1705    1.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6707    1.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
  3 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
M  END
$$$$
Mol_6105
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
   -5.7933   -2.2736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9938   -1.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6931    0.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0201   -0.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3925    1.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3661    1.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0970    0.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7700    0.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5008    0.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5587   -1.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8262    0.8214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0953    0.0219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4223    0.7212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6914   -0.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0184    0.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2876   -0.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2297   -1.6774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6146    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
M  END
$$$$
Mol_6106
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
    5.1341    0.9802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6381    0.8698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9858   -0.4810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4899   -0.5914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6463    0.6489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8376   -1.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6584   -2.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5020   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9979   -0.9227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8415    0.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1892    1.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6933    1.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8496    0.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
M  END
$$$$
Mol_6107
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.4299   -2.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8378   -0.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7916    0.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9701    1.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0082    1.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4622    1.3050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5610   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8300   -0.9915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1681   -0.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9  3  1  0
M  END
$$$$
Mol_6108
     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -2.6515   -2.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5538   -1.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8012   -0.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1464   -1.1673    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7035    0.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3584    1.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2607    3.1540    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1110    0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2087   -0.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0387   -1.5057    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3839   -0.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6313   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9764   -1.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2239   -1.8442    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0741    0.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8267    1.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9244    2.8155    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4816    0.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2342    1.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
  9  2  1  0
 18 11  1  0
M  END
$$$$
Mol_6109
     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -5.4828   -3.8825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4726   -2.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9278   -1.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9176   -0.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3727    1.1937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4522   -0.5561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9970   -1.9853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0072   -3.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5316   -2.3058    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4786   -1.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9439   -1.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3991   -2.9466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8645   -3.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8747   -2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3401   -2.4787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4195   -0.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4297    0.3798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9541   -0.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0234    0.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0336    1.3412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4420    0.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8972    1.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8870    3.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5784    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5886    3.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_6110
     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 11  4  1  0
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M  END
$$$$
Mol_6111
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2   8   1  10  -1
M  END
$$$$
Mol_6112
     RDKit          2D

 51 60  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6113
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6114
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 11 13  1  0
 13 14  2  0
  5 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19  3  1  0
 14  8  1  0
M  END
$$$$
Mol_6115
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -4.9964   -0.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6360   -0.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5030    1.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1793   -1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0464   -2.9274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5781    3.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
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  7  2  1  0
 15 10  1  0
 16  5  1  0
M  END
$$$$
Mol_6116
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.2144   -3.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7860   -1.7229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8709   -0.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3840   -0.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4689    0.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0405    1.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1254    3.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3615    2.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9331    1.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4200    1.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9916   -0.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4785   -0.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5274    2.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4425    0.8524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9294    1.0507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
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 14 17  2  0
  6 18  1  0
 18 19  2  0
 19 20  1  0
 19  3  1  0
 17  5  1  0
 17  9  1  0
M  END
$$$$
Mol_6117
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
    1.6800   -4.7210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8793   -3.2343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6915   -2.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6957   -2.8891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8836   -1.9731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2707   -2.5438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6843   -0.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8721    0.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2593   -0.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4472    0.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8343    0.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0336   -1.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4208   -1.8534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8458   -2.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0978    1.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4887    3.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8759    4.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0752    5.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8873    6.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5002    6.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6877    6.9471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3008    4.5444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2780   -0.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8530   -0.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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 14 15  2  0
  7 16  1  0
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 33 34  2  0
 26  3  1  0
 34 28  1  0
 15  9  1  0
 25 19  1  0
M  END
$$$$
Mol_6118
     RDKit          2D

 36 41  0  0  0  0  0  0  0  0999 V2000
    4.1279   -4.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5547   -2.9163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5227   -1.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0640   -2.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0320   -1.0886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4267   -1.4380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4587   -0.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0320    1.0886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4267    1.4380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0640    2.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5227    1.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5547    2.9163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3442   -2.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8029    2.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3442    2.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  4  5  1  0
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 27  3  1  0
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 15  7  1  0
 24 18  1  0
 36 26  1  0
 24 14  1  0
M  END
$$$$
Mol_6119
     RDKit          2D

 28 33  0  0  0  0  0  0  0  0999 V2000
   -7.3594   -0.6338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7991   -1.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6464   -2.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9839   -0.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1367   -0.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1367    0.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
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  8  9  1  0
  9 10  2  0
 10 11  1  0
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 27 28  2  0
  6  1  1  0
 28  9  1  0
 28  4  1  0
 16 11  1  0
 24 19  1  0
 24 15  1  0
M  END
$$$$
Mol_6120
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -6.6497   -1.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3729   -2.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1392   -0.5402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4032   -0.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6689    1.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7858    2.9303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7567    2.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
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 13 14  1  0
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 17 18  2  0
 11 19  1  0
 19 20  1  0
 19 21  1  0
  8  3  1  0
 18 12  1  0
 21  6  1  0
M  END
$$$$
Mol_6121
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.7643   -3.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2552   -2.2678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2733   -1.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8003   -1.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8183   -0.2835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6547   -0.5669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6366    0.5669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1096    0.2835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0916    1.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5646    1.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3093    1.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7823    1.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2733    2.8347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7462    3.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7643    0.2835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
  5 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  2  0
 18  3  1  0
 13  8  1  0
M  END
$$$$
Mol_6122
     RDKit          2D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -6.3167    0.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2497    1.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8032    0.8513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4237   -0.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9772   -0.9969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9101    0.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2896    1.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2226    2.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2239    2.1658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6034    0.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5364   -0.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9159   -1.7908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3624   -2.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4294   -1.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8759   -1.5305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9430   -0.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5635    0.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1170    1.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0499    0.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4907   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9373   -1.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
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 17 18  1  0
 18 19  2  0
  4 20  1  0
 20 21  2  0
 21  1  1  0
 11  6  1  0
 19 14  1  0
 19 10  1  0
M  END
$$$$
Mol_6123
     RDKit          2D

 32 33  0  0  0  0  0  0  0  0999 V2000
   -9.6573   -2.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2621   -1.6662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0876   -2.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0413   -0.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6460    0.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0954   -1.0271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2508    0.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0763   -0.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2970   -1.4979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6810    0.5364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5065   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1112    0.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1096    1.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5048    2.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6793    1.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0746    1.8060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2491    0.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0284   -0.6107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2029   -1.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9821   -3.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5868   -3.5780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5982   -0.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7727   -1.9261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8189    0.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2142    1.0413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6444    1.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8652    2.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4586   -0.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0633   -0.7789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1967    1.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6804    1.9842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2637    2.9379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
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 13 14  1  0
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 15 28  1  0
 28 29  2  0
  5 30  1  0
 30 31  2  0
 30 32  1  0
 29 12  1  0
 26 17  1  0
M  END
$$$$
Mol_6124
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.4653    0.6606    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5353   -0.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0511   -0.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4968    1.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9874    1.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174    0.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4016    0.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3631   -1.2595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1211   -1.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9  3  1  0
M  END
$$$$
Mol_6125
     RDKit          2D

 31 36  0  0  0  0  0  0  0  0999 V2000
   -8.8295   -0.3672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3469   -0.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8033    1.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3207    1.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3818    0.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9255   -1.0807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4081   -1.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6950    1.6508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2145    1.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    2.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1810    1.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    1.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3661    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8643    2.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6758    1.2354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1741    1.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9855    0.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4838    0.1177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9890   -0.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3021   -1.4317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8039   -1.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3056   -1.5756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5670   -2.2285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
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 30 31  1  0
  7  2  1  0
 29  9  1  0
 30  5  1  0
 27 11  1  0
 24 12  1  0
 22 15  1  0
M  END
$$$$
Mol_6126
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
   -3.3853   -1.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.7561   -3.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4602    0.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5837    1.9953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5591    3.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0632    3.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2936    2.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3327    0.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
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 18 19  1  0
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 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 32 11  1  0
 32 14  1  0
 29 16  1  0
 27 19  1  0
 29 27  1  0
M  END
$$$$
Mol_6127
     RDKit          2D

 44 50  0  0  0  0  0  0  0  0999 V2000
    1.6035    3.6609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 38 32  1  0
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M  END
$$$$
Mol_6128
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6129
     RDKit          2D

 18 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6130
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
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 15  9  1  0
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M  END
$$$$
Mol_6131
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
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 27 19  1  0
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M  END
$$$$
Mol_6132
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -5.5646    0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6438   -0.7107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1579   -0.5054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7513   -1.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1695   -2.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6554   -2.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2205   -1.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7064   -0.8682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2715    0.5212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7574    0.7266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5135    2.0682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
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 18  3  1  0
 15  5  1  0
 14  8  1  0
M  END
$$$$
Mol_6133
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -6.1682    0.9161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3520   -0.3424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8540   -0.2647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1722    1.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6742    1.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0377   -1.5232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7235   -2.7041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7744   -2.6265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4562   -1.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -1.2127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6360    0.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1340    0.2010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9502   -1.0575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8198    1.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3218    1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5056    2.5627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1873    3.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6400   -0.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
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 16 17  1  0
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 17 20  2  0
  8  3  1  0
 20 11  1  0
 20  6  1  0
M  END
$$$$
Mol_6134
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -5.1962   -1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
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 10 11  1  0
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  5 14  1  0
 14 15  2  0
 15  2  1  0
 13  7  1  0
M  END
$$$$
Mol_6135
     RDKit          2D

 30 35  0  0  0  0  0  0  0  0999 V2000
    3.6317    4.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5414    2.7603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1995    2.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9480    2.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3938    2.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7673   -0.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6770   -1.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9285   -2.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -1.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7899    2.7949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 10 11  1  0
 11 12  2  0
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 14 15  2  0
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  6 18  1  0
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 17  3  1  0
 27 18  1  0
 30  5  1  0
 17  7  1  0
 27 21  1  0
 16 10  1  0
M  END
$$$$
Mol_6136
     RDKit          2D

 43 47  0  0  0  0  0  0  0  0999 V2000
   -6.7412   -6.3578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5426   -5.4560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.2865   -1.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0879   -0.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7075   -1.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5090   -0.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1286   -1.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5258   -3.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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 10 11  1  0
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 29 30  2  0
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 38 39  2  0
 39 40  1  0
 39 41  1  0
 41 42  2  0
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 43  3  1  0
 34 10  2  0
 42 36  1  0
 19 13  1  0
 30 24  1  0
M  END
$$$$
Mol_6137
     RDKit          2D

 36 41  0  0  0  0  0  0  0  0999 V2000
  -10.5862    0.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5691   -0.7494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.6595    1.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1962    1.3418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7499    2.7738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1791    0.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6254   -1.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_6138
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6139
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6140
     RDKit          2D

 44 50  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6141
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
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  7 20  2  0
 20  3  1  0
 19 10  1  0
M  END
$$$$
Mol_6142
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -3.4965   -2.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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  6  7  1  0
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 26 18  1  0
 28 26  1  0
M  END
$$$$
Mol_6143
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.7120    3.6864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8487    2.4598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6160   -0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  3  4  2  0
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  5  7  2  0
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 18  3  1  0
 18  8  1  0
 17 11  1  0
M  END
$$$$
Mol_6144
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.4270   -1.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7680   -0.1013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2716    0.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4341   -1.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9376   -1.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6126    1.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 21  6  1  0
 21 10  1  0
M  END
$$$$
Mol_6145
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -8.1956    0.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8159   -0.5445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 18 10  1  0
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M  END
$$$$
Mol_6146
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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 22  7  1  0
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M  END
$$$$
Mol_6147
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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    6.0028   -0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
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 10 11  2  0
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 13 14  1  0
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 29 31  2  0
  5 32  1  0
 32 33  2  0
 33  2  1  0
 22  7  1  0
 31 25  1  0
 21 15  1  0
M  END
$$$$
Mol_6148
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -5.9851    3.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8254    2.2497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6807    0.5816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6557    1.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1520    1.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9922    2.8540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9677   -0.9801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.5059   -0.2354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  2  0
 13 14  1  0
 14 15  2  0
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 14 19  1  0
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 25 26  1  0
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  5 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 30  3  1  0
 17  6  1  0
 27 21  1  0
 15  8  1  0
 27 13  1  0
M  END
$$$$
Mol_6149
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
   -2.4988   -2.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1122   -2.2777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.0565    2.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2454    3.2103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2542    0.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0654   -0.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9057    1.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6520   -3.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
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  8  9  2  0
  9 10  1  0
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 11 12  2  0
  4 13  1  0
 13 14  1  0
 13 15  2  0
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 16 26  2  0
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 31 32  1  0
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 26  3  1  0
 34 28  1  0
 12  6  1  0
 25 19  1  0
M  END
$$$$
Mol_6150
     RDKit          2D

 36 39  0  0  0  0  0  0  0  0999 V2000
    6.7917    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417    3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9583    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.4583    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0417   -3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0417   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5417    6.4952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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 33 34  1  0
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 24  8  2  0
 32 26  1  0
 17 11  1  0
M  END
$$$$
Mol_6151
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -5.3508   -1.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8963   -1.4965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8516   -0.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2614    1.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7160    1.3893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2168    2.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7622    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3524    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3971   -0.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9872   -2.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4673   -2.5961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5120   -1.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9665   -1.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0112   -0.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4657   -1.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6014    0.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1468    0.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7370    2.4425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7817    3.5189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1021   -0.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
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 16 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  2  0
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 20 12  1  0
 20  8  1  0
M  END
$$$$
Mol_6152
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
   -3.3853   -1.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8422   -2.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4602    0.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_6153
     RDKit          2D

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M  END
$$$$
Mol_6154
     RDKit          2D

 49 53  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6155
     RDKit          2D

 36 41  0  0  0  0  0  0  0  0999 V2000
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 35 11  1  0
 23 15  1  0
 32 26  1  0
 32 22  1  0
M  END
$$$$
Mol_6156
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -6.1682    0.9161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3520   -0.3424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7744   -2.6265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0377   -1.5232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
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 17 18  1  0
 16 19  2  0
  7 20  2  0
 20  3  1  0
 19  6  1  0
 19 10  1  0
M  END
$$$$
Mol_6157
     RDKit          2D

 35 40  0  0  0  0  0  0  0  0999 V2000
    1.5933    3.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625    2.4310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 14  6  1  0
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M  END
$$$$
Mol_6158
     RDKit          2D

 36 41  0  0  0  0  0  0  0  0999 V2000
    4.0810    4.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2409    3.0947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    2.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6576    2.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4459    1.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1891    0.7191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 36  3  1  0
 16  8  1  0
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M  END
$$$$
Mol_6159
     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -3.6924   -2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1276    3.4429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2528    2.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 16  2  1  0
 13  3  1  0
 13  8  2  0
 23 10  1  0
M  END
$$$$
Mol_6160
     RDKit          2D

 36 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6161
     RDKit          2D

  5  3  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.7500    0.0000 K   0  0  0  0  0 15  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
M  CHG  4   2   1   3  -1   4  -1   5   1
M  END
$$$$
Mol_6162
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.5036   -3.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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  7  6  1  1
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 16  7  1  0
M  END
$$$$
Mol_6163
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -1.9525    2.1319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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M  END
$$$$
Mol_6164
     RDKit          2D

 11 13  0  0  0  0  0  0  0  0999 V2000
   -2.1832   -2.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9509    2.8889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  3  1  0
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M  END
$$$$
Mol_6165
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -4.2392   -1.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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M  END
$$$$
Mol_6166
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6167
     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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    2.0767    0.3443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9916    1.5331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4785    1.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4195    2.9197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  6  8  2  0
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 13 15  1  0
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 17 19  1  0
 10  3  1  0
 16  9  1  0
M  END
$$$$
Mol_6168
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -5.0932   -0.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8323   -1.2393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4982   -0.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4249    0.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6858    1.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0908    1.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1700    0.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    1.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5774    3.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9116    3.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3166    3.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7650    0.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9526   -1.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0968   -0.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2373   -1.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3106   -2.8644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
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 15 16  1  0
 16 17  2  0
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 18 19  2  0
 19 20  1  0
 19  3  1  0
 18  7  1  0
M  END
$$$$
Mol_6169
     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
    6.1665   -5.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4837   -4.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2990   -2.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6162   -1.5403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4315   -0.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7487    1.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8252    2.5524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4896    1.8697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9916    1.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3088    3.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8107    3.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.4425   -1.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1253   -0.0365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2578   -2.6312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 18 19  1  0
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 19 21  1  0
  8  6  1  0
M  END
$$$$
Mol_6170
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
   -0.7500   -3.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -2.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -0.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -0.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -2.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -2.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -3.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    0.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2500    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    3.0767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7500    4.3757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2500    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    3.0767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    4.3757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.7776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
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 11 12  1  0
 11 13  1  0
 13 14  1  0
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 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  2  0
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 23 24  2  0
 24 25  1  0
 25 26  1  0
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 31 32  1  0
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 33 34  1  0
 34 35  2  0
 33 36  1  0
 36 37  2  0
 37 38  1  0
 19  2  1  0
 37 20  1  0
 16  4  1  0
 36 24  1  0
M  END
$$$$
Mol_6171
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -2.9484    3.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639    2.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9686    0.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3579    0.1021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7841   -0.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9888   -1.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3781   -2.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5828   -3.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5626   -1.3839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1957   -2.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5849   -2.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7695   -3.0133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7897   -0.6071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1789   -0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3836    1.4446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3634   -0.9617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8099    1.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1991    2.3648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3747    2.7194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1699    4.2054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
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  7  9  1  0
  6 10  1  0
 10 11  2  0
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 17 18  1  0
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 18 20  1  0
 20 21  2  0
 20  2  1  0
 17  5  1  0
M  END
$$$$
Mol_6172
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.5881    0.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5878    1.3287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1196    1.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6519   -0.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3980   -1.7053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3909   -2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6984   -4.2851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0224   -2.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4492   -2.5263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1193    2.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5616    3.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3937    2.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 20  3  1  0
 17  4  1  0
 17  8  2  0
M  END
$$$$
Mol_6173
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -6.6398    2.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2883    2.2693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1760    0.7735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3201   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7774    0.1589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2553   -1.4722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9  3  1  0
 24 18  1  0
M  END
$$$$
Mol_6174
     RDKit          2D

 26 25  0  0  0  0  0  0  0  0999 V2000
  -15.7397   -0.3821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4382    0.3638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4468   -0.4406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7482    0.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7531    1.8052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0448   -0.4489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2410   -0.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5424    0.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8390   -0.4740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1405    0.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4371   -0.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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 23 24  1  0
 24 25  1  0
 25 26  1  0
M  END
$$$$
Mol_6175
     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -4.5655    0.9025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0661    0.9430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3515    2.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1374    3.6212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4323    1.0647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1469    2.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6463    2.4241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2171   -0.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7166   -0.1731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5025   -1.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2873   -2.8107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0031   -1.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7116   -2.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0733   -4.1701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2110   -2.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7818   -0.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2812   -0.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  7 10  2  0
 10 11  1  0
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 15 17  1  0
 14 18  1  0
 18 19  2  0
 19  2  1  0
 18  6  1  0
M  END
$$$$
Mol_6176
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -4.7136    0.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0243   -0.4334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5259   -0.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8366   -1.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6457   -3.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3511   -3.2363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4709   -0.6410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9693   -0.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6586   -2.0424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1570   -2.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8495   -3.3055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7785    0.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8983    3.1482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7106    4.5496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4060    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
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 20  3  1  0
 19  8  1  0
M  END
$$$$
Mol_6177
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -6.8498    1.5819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3566    1.7246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1230   -0.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3633   -1.5575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7393   -0.9604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1039   -1.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2466   -3.0765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6111   -3.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2619    3.1435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.6026   -1.0044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 24  3  1  0
 19  6  1  0
 18  8  1  0
M  END
$$$$
Mol_6178
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.9179   -2.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4752   -1.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3983   -2.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1213   -3.5302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3727   -1.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1861    0.6468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
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 18 19  1  0
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 19  2  1  0
 18  6  1  0
M  END
$$$$
Mol_6179
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    2.7947   -2.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0088   -1.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 15  2  1  0
 13  4  1  0
M  END
$$$$
Mol_6180
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -6.3248   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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  2  4  1  0
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  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
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 13 14  2  0
 14 15  1  0
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 30  7  1  0
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 27 12  1  0
 25 15  1  0
 27 25  1  0
M  END
$$$$
Mol_6181
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.5981   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1962   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8971   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
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 14  3  1  0
 12  5  1  0
M  END
$$$$
Mol_6182
     RDKit          2D

 44 49  0  0  0  0  0  0  0  0999 V2000
   -8.4775   -3.0572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3607   -2.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3927   -1.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 44  6  1  0
 33 22  1  0
 31 24  1  0
M  END
$$$$
Mol_6183
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -2.5981   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
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 16  9  1  0
M  END
$$$$
Mol_6184
     RDKit          2D

 55 61  0  0  0  0  0  0  0  0999 V2000
    5.6250   -0.7016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2541    0.3609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 13  6  1  0
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M  END
$$$$
Mol_6185
     RDKit          2D

 52 58  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6186
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6187
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6188
     RDKit          2D

 20 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6189
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6190
     RDKit          2D

 45 51  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6191
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -6.4908    0.7867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0526    1.2128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0881   -1.0325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5263   -0.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3146   -1.2782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6 20  2  0
 20 21  1  0
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 23  4  1  0
 18  7  1  0
 16  9  1  0
M  END
$$$$
Mol_6192
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -6.3412   -2.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8453   -2.5838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6544    0.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8747   -1.2492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 20  6  1  0
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 16  9  1  0
M  END
$$$$
Mol_6193
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -5.1640   -0.2314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7825    0.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5857   -0.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3741   -0.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9524   -0.6066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5709   -1.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
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 12 13  2  0
 13  8  1  0
M  END
$$$$
Mol_6194
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -3.3851   -4.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2621   -3.2046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6195    0.7036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0378    2.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  6  1  0
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M  END
$$$$
Mol_6195
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.6097   -2.4580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5210   -1.2666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1895   -0.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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M  END
$$$$
Mol_6196
     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -5.6254   -0.5393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 18 19  1  0
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 14  7  1  0
M  END
$$$$
Mol_6197
     RDKit          2D

 52 58  0  0  0  0  0  0  0  0999 V2000
    4.8093   -3.9610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 13  6  1  0
 42 22  1  0
 40 29  1  0
 38 31  1  0
M  END
$$$$
Mol_6198
     RDKit          2D

 65 72  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6199
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 11 12  1  0
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 30 14  1  0
M  END
$$$$
Mol_6200
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6201
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.2016    3.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3123   -2.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0935    1.1374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4301    1.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3215    2.8595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7388   -3.9180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1903    0.6636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5935    0.5797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
  4 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21  2  1  0
 12  5  1  0
 21 14  2  0
M  CHG  1   4   1
M  END
$$$$
Mol_6202
     RDKit          2D

 54 59  0  0  0  0  0  0  0  0999 V2000
   -6.7910    1.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4459    0.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1984    1.5356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6058    1.7047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9867    1.8737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3318    1.2099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5793    2.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9244    1.3789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0220   -0.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3671   -0.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6146    0.0512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5170    1.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7645    2.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1095    1.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3570    2.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2072    0.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5522   -0.4436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9597   -0.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8891    3.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4560    4.0344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4106   -1.2890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.7809   -1.9653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1883   -1.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0907   -3.2930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  1
  5  6  1  0
  7  6  1  6
  7  8  1  0
  8  9  1  0
  9 10  1  6
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 29 30  1  0
 30 31  2  0
  9 32  1  0
 32 33  1  1
 32 34  1  0
 34 35  1  6
 34 36  1  0
 36 37  1  1
  4 38  1  0
 38 39  1  6
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 40 41  1  6
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 44 43  1  1
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 45 46  1  0
 46 47  1  1
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 46 49  1  0
 49 50  1  6
 49 51  1  0
 51 52  1  1
 51 53  1  0
 53 54  1  6
 42  2  1  0
 53 44  1  0
 36  7  1  0
 30 11  1  0
 20 13  1  0
 29 22  1  0
M  END
$$$$
Mol_6203
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -8.8140    1.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3185    1.5626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4693    2.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6724    0.2089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1770    0.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3277    1.3280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8323    1.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4644    1.9179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1862   -0.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3369    1.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5900    1.8494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6908   -0.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1585    0.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6539    0.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000   -0.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2739    0.6461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7384   -0.9204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9282   -0.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4975    2.7335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9217    2.3936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7781   -2.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7354   -3.0496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8847   -2.6158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5309   -1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
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 17 18  1  0
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 17 25  1  0
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 29 30  1  0
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 31 32  1  0
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 34  5  1  0
 32  9  1  0
 29 12  1  0
 27 15  1  0
 24 18  2  0
M  END
$$$$
Mol_6204
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -2.5592    1.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0478    1.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.4410    0.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0248    2.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5133    2.3064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3686   -0.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8801   -1.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2009   -3.5908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2004   -0.9936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  4  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
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 27 28  1  0
 28 29  1  0
 29 30  1  0
 29 12  1  0
 29 15  1  0
 26 16  1  0
 24 19  1  0
M  END
$$$$
Mol_6205
     RDKit          2D

 34 40  0  0  0  0  0  0  0  0999 V2000
   -5.9977   -2.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0381   -2.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6168   -2.6545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8826    0.0285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2969    1.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6086    2.1432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3938    0.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  2  1  0
 32  8  1  0
 34  2  1  0
 33  4  1  0
 29 11  1  0
 27 15  1  0
 24 18  2  0
M  END
$$$$
Mol_6206
     RDKit          2D

 34 40  0  0  0  0  0  0  0  0999 V2000
   -5.9977   -2.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8001   -1.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9834    0.3230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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 11 12  1  0
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 32  8  1  0
 34  2  1  0
 33  4  1  0
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M  END
$$$$
Mol_6207
     RDKit          2D

  8  9  0  0  0  0  0  0  0  0999 V2000
   -2.0844    1.0037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9697    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0844   -1.0037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0880    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3385    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6376   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3385   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0880   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  2  1  0
  7  5  1  0
M  END
$$$$
Mol_6208
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -6.9474    2.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5242    1.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7999   -0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4988   -1.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9790    2.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
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  9 10  1  0
 10 11  1  0
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 25  7  1  0
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 22 11  1  0
 20 14  1  0
M  END
$$$$
Mol_6209
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -1.9771    1.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9600    0.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5033    1.1786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5204    0.0761    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.6229    1.0932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5375   -1.0264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4063   -0.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8696   -0.9126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3892   -1.6855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  4  7  1  0
  2  8  1  0
  8  9  2  0
  8 10  1  0
M  END
$$$$
Mol_6210
     RDKit          2D

 28 32  0  0  0  0  0  0  0  0999 V2000
    2.2424   -1.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2378   -0.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6973    2.7275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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 10 11  1  0
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 27 11  1  0
 12  2  1  0
 27 15  1  0
 24 18  2  0
M  END
$$$$
Mol_6211
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -3.0940   -2.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6589   -2.6638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2088    1.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6440    1.5669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2115   -3.5362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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 10 11  2  0
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 22 23  1  0
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 23  3  1  0
 11  5  1  0
 22 13  1  0
M  END
$$$$
Mol_6212
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -5.3515   -2.7279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_6213
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6214
     RDKit          2D

 44 49  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6215
     RDKit          2D

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M  END
$$$$
Mol_6216
     RDKit          2D

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    0.0888    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2171   -1.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2004   -0.9936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  4  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
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 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
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 23 24  1  0
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 27 28  1  0
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 29 30  1  0
 29 12  1  0
 29 15  1  0
 26 16  1  0
 24 19  1  0
M  END
$$$$
Mol_6217
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.2769   -1.2950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0193    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1703    1.1447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6108    0.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5402   -0.2633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2826   -1.7410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9487    0.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2062    1.7302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0997   -0.7094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
M  END
$$$$
Mol_6218
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -4.5553    0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2359   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6388   -0.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6388    0.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9583   -0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2359    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5553   -0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
M  END
$$$$
Mol_6219
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -6.8671    1.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4287    1.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0782   -0.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6398   -0.4579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2892   -1.9163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3770   -2.9491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8509   -2.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3498   -3.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1497   -3.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5753   -2.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9290   -1.6316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1654   -2.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5191   -1.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364   -0.3393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9901    0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1074    1.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4611    2.4484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    2.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5172    2.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000    0.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1635    1.3593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0463   -0.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8098    0.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5438    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6611   -1.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9795   -0.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3410    2.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3738    3.5468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3081    1.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2532    3.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
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  2 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
 25  7  1  0
 25 10  1  0
 22 11  1  0
 20 14  1  0
M  END
$$$$
Mol_6220
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.3336   -2.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5577   -1.2963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3854   -0.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9889   -0.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1835    0.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5800   -0.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7524    0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1489   -0.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3731   -1.6145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3213    0.8044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0407    1.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4372    2.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6096    1.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0061    1.6700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  0
  8 10  1  0
  5 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13  3  1  0
M  END
$$$$
Mol_6221
     RDKit          2D

 35 41  0  0  0  0  0  0  0  0999 V2000
   -6.0312   -2.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8428   -1.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4560   -1.7295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2676   -0.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0691   -2.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2575   -3.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6444   -2.6448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9376    0.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3661    1.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6852    2.1731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4508    0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5355   -0.9342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1071   -2.3211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9513   -0.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8665   -1.9242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5228    0.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5573   -0.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9359    1.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1736    0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0586   -1.1887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2963   -2.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6490   -1.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8867   -2.2353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7640    0.1077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5263    0.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8939    2.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4550    3.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6076    1.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1785    3.1170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8793    1.6410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7945    2.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2813    2.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8529    1.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4660    0.6726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0413    0.3289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
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 11 12  1  0
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 31 32  1  0
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 33 34  1  0
 33 35  1  0
  7  2  1  0
 33  8  1  0
 35  2  1  0
 34  4  1  0
 30 11  1  0
 28 16  1  0
 25 19  2  0
M  END
$$$$
Mol_6222
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -3.2866    0.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8014    0.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8768   -0.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6084   -0.4762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5330   -1.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1691    0.9151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6543    1.1251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
M  END
$$$$
Mol_6223
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.6401   -0.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135   -0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6401   -0.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.0309    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  2  1  0
M  END
$$$$
Mol_6224
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -4.5553   -0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2359    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   -0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6388    0.3930    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6388   -0.3930    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9583    0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2359   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5553    0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
M  END
$$$$
Mol_6225
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -3.2624   -0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9270    0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6677   -0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6677    0.3416    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270   -0.4734    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2624    0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
M  END
$$$$
Mol_6226
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.6401   -0.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135   -0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2774    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6401   -0.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  2  1  0
M  END
$$$$
Mol_6227
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -5.3701    1.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9055    0.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4539   -0.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9893   -0.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5377   -2.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9764    0.2160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4882   -0.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5011    0.9983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9657    0.6742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9786    1.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4173   -0.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8819   -1.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
M  END
$$$$
Mol_6228
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -6.0689    0.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6802    0.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4948   -0.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1061    0.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9207   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4680   -0.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6534   -0.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0421   -0.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2275   -1.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2454    1.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6341    1.6370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
M  END
$$$$
Mol_6229
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -3.8971   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4286    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3214    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.4286    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
M  END
$$$$
Mol_6230
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -3.4973   -1.8543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1586   -0.3931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2547    0.6309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7238    0.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3851    1.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0498    1.9428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1459    0.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6403    1.0483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2252   -0.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6865   -0.6717    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923   -1.3161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8072   -0.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276   -0.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13  4  1  0
 12  7  1  0
M  CHG  2   2   1   3  -1
M  END
$$$$
Mol_6231
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -4.5553   -0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2359    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   -0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6388    0.3930    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6388   -0.3930    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9583    0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2359   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5553    0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
M  END
$$$$
Mol_6232
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -5.1962   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.4167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.4167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
M  END
$$$$
Mol_6233
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -5.1962   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.4167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.4167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
M  END
$$$$
Mol_6234
     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -3.9827   -2.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3332   -1.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7715   -1.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1220    0.4572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5603    0.8829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0341    1.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958    1.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5080    2.0970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2453   -0.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8070   -0.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7192    0.2129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7192   -0.2129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8070    0.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2453    0.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5958   -1.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5080   -2.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0341   -1.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1220   -0.4572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5603   -0.8829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7715    1.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3332    1.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9827    2.8854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
  9  2  1  0
 21 14  1  0
M  END
$$$$
Mol_6235
     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
    0.1391   -2.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4579   -1.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6520   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0808   -0.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1907    0.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6195   -0.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9383   -1.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7294    0.8803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4106    2.3460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8867   -0.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0960   -1.6638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3137   -0.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8570    0.6409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7073    2.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3257    0.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3570    0.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4811    1.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  2 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
 16 17  1  0
 16 10  1  0
M  END
$$$$
Mol_6236
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.7017   -2.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4768   -1.1658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9765   -1.1949    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7515    0.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2513    0.0603    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0263    1.3446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0268    1.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5271    1.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7521    0.1475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7476    0.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6056    1.4070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0409    0.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2371    1.8762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6190    1.2928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0700   -0.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3004   -1.3865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6527   -1.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2169   -2.4549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
  9  2  1  0
 17 10  1  0
M  END
$$$$
Mol_6237
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -4.8948    0.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6312   -0.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2994    0.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0358   -0.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2960    0.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5596   -0.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8913    0.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1550   -0.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9595    1.5338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
M  END
$$$$
Mol_6238
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
    3.7488    0.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6132   -0.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1967   -0.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9159    1.3622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0610   -1.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3555   -0.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4911   -1.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6363    0.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0527    1.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
M  END
$$$$
Mol_6239
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.5981   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  2  1  0
M  END
$$$$
Mol_6240
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -5.3366   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    0.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7392   -0.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4234    0.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1418   -0.5219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1740    0.1983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4556   -0.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7714    0.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0530   -0.6404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
M  END
$$$$
Mol_6241
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.8066    0.0338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4461   -0.5979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2187    0.2644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3518    1.7585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1417   -0.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -1.5975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2041   -1.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6523   -1.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0383    0.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9759    1.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5277    1.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  5  1  0
M  END
$$$$
Mol_6242
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
    1.7286   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0777    1.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3846    1.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5574    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5574   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3846   -1.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0777   -1.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  1  1  0
M  END
$$$$
Mol_6243
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -5.1962   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
M  END
$$$$
Mol_6244
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.5981   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  2  1  0
M  END
$$$$
Mol_6245
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -4.6206   -0.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3119    0.6262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0227   -0.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7141    0.5926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5751   -0.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5558   -1.6740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8838    0.5590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1730   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4816    0.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
M  END
$$$$
Mol_6246
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -4.2551   -0.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8948    0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6672   -0.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069    0.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207   -0.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2810   -0.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5085   -0.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    1.4796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
M  END
$$$$
Mol_6247
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.6450    0.6199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5176   -0.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0970    0.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9696   -0.8774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4510   -0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7442    1.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1647    1.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2921    0.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9989   -0.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5783   -1.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
M  END
$$$$
Mol_6248
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    5.4450    0.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1782   -0.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8492    0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5824   -0.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2534    0.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0134   -0.6426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3425    0.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4047    1.5516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6093   -0.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9383   -0.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
M  END
$$$$
Mol_6249
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -5.7250    1.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2287    1.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3889   -0.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8926   -0.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0527   -1.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4435   -1.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5494   -2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3376    0.3524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5804    1.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9398   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5961    0.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0924    0.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7488    1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  6 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
M  END
$$$$
Mol_6250
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.8748   -0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4825    0.3386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3029   -0.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0893   -0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2689   -0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3020    1.4551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
M  END
$$$$
Mol_6251
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -5.1962   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
M  END
$$$$
Mol_6252
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -5.5813   -1.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5206   -0.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0717   -0.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0111    0.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5622    0.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4985    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9474    0.9453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0080    2.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356   -0.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7845   -0.8918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1727   -2.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
M  END
$$$$
Mol_6253
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
    5.7091    1.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7665   -0.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2847    0.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3420   -1.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8602   -0.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0824   -2.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3211    0.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1607    0.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6999    2.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1034   -0.3774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5852   -0.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5278   -1.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1243    1.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
M  END
$$$$
Mol_6254
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
    5.5813    1.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5206    0.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0717    0.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0111   -0.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5622   -0.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4985   -1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9474   -0.9453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0080   -2.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3356    0.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7845    0.8918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1727    2.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
M  END
$$$$
Mol_6255
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -3.2624   -0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9270    0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6677   -0.3416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6677    0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270   -0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2624    0.2097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
M  END
$$$$
Mol_6256
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    5.5943    1.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5305    0.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0828    0.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0189   -0.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5712   -0.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4926   -1.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1087   -2.5503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9403   -0.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0042   -1.7651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3242    0.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7719    1.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1558    2.5851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
M  END
$$$$
Mol_6257
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -4.2045    1.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7251    0.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1999   -0.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7205   -0.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1953   -2.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2842   -2.3224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2337    0.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7132    0.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    1.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1468    1.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
M  END
$$$$
Mol_6258
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -3.2624   -0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9270    0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6677   -0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6677    0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270   -0.4734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2624    0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
M  END
$$$$
Mol_6259
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
    1.7076    1.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5929    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7076   -1.0037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2888    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7153    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7153   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2888   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
M  END
$$$$
Mol_6260
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -3.0410   -3.1794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1220   -1.9939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6892   -0.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1754   -0.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0944   -1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6755   -3.0279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9158   -3.8714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1013   -2.9524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5937   -1.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4372   -0.3006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7702    0.5803    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2840    0.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2832   -1.0115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6350    1.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0678    2.9513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4184    3.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9856    4.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4717    4.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3907    3.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8236    2.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3374    1.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1212    1.3595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6883   -0.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7693   -1.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1745   -0.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8838   -1.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3600   -1.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5455   -2.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9341   -1.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1372   -0.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9517    0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5631    0.1983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2124    0.8507    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  3 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 14 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
  9  5  1  0
 21 16  1  0
 33 25  1  0
 32 27  1  0
M  END
$$$$
Mol_6261
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -6.6957    0.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2235    0.5794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2384   -0.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7254   -1.9705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7662   -0.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7386   -1.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3051    1.1357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3622    2.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8805    2.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3416    0.6692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6013    1.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1402    0.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0830    1.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5648    1.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1037   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5854   -0.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1243   -1.6636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5283    0.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1608   -1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6791   -0.9639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7362   -2.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7456   -1.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2844   -0.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 15 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23  5  1  0
 23 10  1  0
 20 12  1  0
M  END
$$$$
Mol_6262
     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
    5.5948    0.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    0.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1268   -1.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7511   -2.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3815   -3.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1179   -3.0647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897   -4.4762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2464   -4.0529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4501   -2.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3512   -1.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6428    0.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1421    0.3384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8545    1.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9292   -0.9385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2671    1.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2985    2.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0712    3.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2204    4.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4033    2.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9027    2.7719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8038    1.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 11 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  1  0
 21  2  1  0
M  END
$$$$
Mol_6263
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    2.8569   -3.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1047   -2.0572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6380   -2.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -1.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4855   -0.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9522   -0.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9577    0.3329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4133   -2.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3312    1.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7025    1.6340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3293    2.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1374    2.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    3.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5087    1.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2609    0.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1066   -0.9408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16  2  1  0
M  END
$$$$
Mol_6264
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -6.7992    0.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3990    0.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2330   -0.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8328    0.5020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6668   -0.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9010   -1.9232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2666    0.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8994   -0.8472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2996   -0.3092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5338    1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9340    1.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1000    0.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8658   -0.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4657   -1.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
M  END
$$$$
Mol_6265
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    3.1392   -0.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6908   -0.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1551    1.2891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429    1.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7331   -0.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1342   -0.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2986    0.1741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5238   -1.0544    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  5  8  1  0
  8  2  1  0
M  END
$$$$
Mol_6266
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -3.2624   -0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9270    0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6677   -0.3416    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6677    0.3416    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270   -0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2624    0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
M  END
$$$$
Mol_6267
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.1965   -1.0592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8107   -0.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8107    1.0148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    2.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8107    1.0148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8107   -0.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1965   -1.0592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.5459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.5459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10  2  1  0
M  END
$$$$
Mol_6268
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -3.2624   -0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9270    0.4734    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6677   -0.3416    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6677    0.3416    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270   -0.4734    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2624    0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
M  END
$$$$
Mol_6269
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -3.2624   -0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9270    0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6677   -0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6677    0.3416    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270   -0.4734    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2624    0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
M  END
$$$$
Mol_6270
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -4.5553   -0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2359    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   -0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6388    0.3930    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6388   -0.3930    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9583    0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2359   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5553    0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
M  END
$$$$
Mol_6271
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -4.5084   -0.1873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1484    0.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9204   -0.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5604    0.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6676   -0.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0276   -0.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6603   -1.3718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3948    1.3482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875    0.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
M  END
$$$$
Mol_6272
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.5700    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0700    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6065   -1.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3930   -2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1070   -2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3205   -1.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7841    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3205    1.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1070    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3930    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6065    1.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  2  1  0
M  END
$$$$
Mol_6273
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -3.2624   -0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9270    0.4734    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6677   -0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6677    0.3416    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270   -0.4734    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2624    0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
M  END
$$$$
Mol_6274
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
    2.7534    0.3439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552   -0.6779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2212   -0.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6614    1.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2189   -1.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2127    0.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3109   -0.8194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5485    1.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  6  7  2  0
  6  8  1  0
M  END
$$$$
Mol_6275
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -5.1962   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.4167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.4167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
M  END
$$$$
Mol_6276
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -4.5553   -0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2359    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   -0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6388    0.3930    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6388   -0.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9583    0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2359   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5553    0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
M  END
$$$$
Mol_6277
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -5.8514   -0.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5393    0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2537   -0.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9416    0.4094    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6560   -0.3635    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6560    0.3635    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9416   -0.4094    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2537    0.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5393   -0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8514    0.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
M  END
$$$$
Mol_6278
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.2780   -1.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0645   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0645    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2780    1.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3621    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2438    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3585   -1.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3585    1.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3621   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9  2  1  0
M  END
$$$$
Mol_6279
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -3.8971   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4286    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
M  END
$$$$
Mol_6280
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -4.5553   -0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2359    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   -0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6388    0.3930    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6388   -0.3930    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9583    0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2359   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5553    0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
M  END
$$$$
Mol_6281
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -2.5981   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
M  END
$$$$
Mol_6282
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -4.5553   -0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2359    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   -0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6388    0.3930    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6388   -0.3930    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9583    0.3205    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2359   -0.4655    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5553    0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
M  END
$$$$
Mol_6283
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.6450    0.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5176   -0.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0970    0.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9696   -0.8774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4510   -0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7442    1.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1647    1.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2921    0.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9989   -0.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5783   -1.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
M  END
$$$$
Mol_6284
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -3.3481    0.7633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8481   -1.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -1.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8481   -1.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.7633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -1.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  1  0
  9 14  2  0
 14  5  1  0
M  END
$$$$
Mol_6285
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -5.1962   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
M  END
$$$$
Mol_6286
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
    0.4511    0.9265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7433   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2669    0.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2132    0.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2193    1.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2506    0.9962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7266   -0.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1966   -0.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1904    0.3983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2672   -1.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7371   -1.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  7 10  1  0
 10 11  1  0
 10  2  1  0
 11  4  1  0
M  END
$$$$
Mol_6287
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -4.7147    0.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2342    0.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2851   -0.2919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4467   -1.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3360   -1.4535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1236    0.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4407    1.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8434    0.5435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0050    1.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0846   -0.9370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4873   -1.4684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
M  END
$$$$
Mol_6288
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -4.8948    0.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6312   -0.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2994    0.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0358   -0.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2960    0.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5596   -0.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8913    0.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1550   -0.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9595    1.5338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
M  END
$$$$
Mol_6289
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -7.3552    1.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8617    1.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9944    0.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5009    0.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6337   -0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1401   -0.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2729   -1.9180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2206   -1.7789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836   -2.4053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4445   -0.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0708    0.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5644    0.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1907    1.9534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6842    2.0925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 10  8  1  0
M  END
$$$$
Mol_6290
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -3.7110    0.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3117    0.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0798   -1.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6805   -1.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4870   -0.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8864   -1.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0539   -0.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8220    1.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4227    1.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552    0.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1442    1.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  2  1  0
 10  5  1  0
M  END
$$$$
Mol_6291
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -4.1363   -0.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7006   -0.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3590    1.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9233    1.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1708    0.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6065    1.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7006    0.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1363    0.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3590   -1.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9233   -1.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -0.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6065   -1.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  2  1  0
 11  5  1  0
M  END
$$$$
Mol_6292
     RDKit          2D

 11 13  0  0  0  0  0  0  0  0999 V2000
   -2.7787    0.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3246   -0.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9397   -1.5943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2144    1.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1362    1.9223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3766    1.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6171    0.2356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665   -0.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9191   -1.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0841   -1.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0260    0.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  8  9  1  0
  8 10  1  0
 10 11  1  0
 10  2  1  0
 11  4  1  0
  8  6  1  0
M  END
$$$$
Mol_6293
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -7.6519    0.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3869   -0.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0564    0.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7914   -0.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4608    0.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -0.5097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1348    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3998   -0.6233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7304    0.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9954   -0.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3260   -0.0444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8246   -0.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1321    1.2206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 11  1  0
M  END
$$$$
Mol_6294
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.4496   -2.4451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4272   -1.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9306    0.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3902    0.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7392    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2651    1.8735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4545    0.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9422    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8518    1.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5203   -1.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0080   -1.2095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5749   -0.5337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
  7 12  1  0
 12  3  1  0
M  END
$$$$
Mol_6295
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -2.3512    3.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9929    1.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0752    0.7883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7169   -0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7992   -1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1941   -0.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2465   -0.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3288    0.5728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7694    0.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8517    1.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1277   -1.3017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
M  END
$$$$
Mol_6296
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.0751    0.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0665   -0.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6007    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1434    1.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3224    1.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3310    0.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8737   -0.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4079   -1.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0493   -2.5216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8  3  1  0
M  END
$$$$
Mol_6297
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -7.0830    1.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5994    1.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6662    0.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1826    0.2765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2494   -0.8979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7658   -0.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1674   -1.8513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6510   -1.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5842   -2.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2015   -0.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6851   -0.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2356    1.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7192    1.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3024    2.5557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
M  END
$$$$
Mol_6298
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.6401   -0.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135   -0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6401   -0.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  2  1  0
M  END
$$$$
Mol_6299
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -5.5150    0.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0984    0.5735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9629   -0.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5464    0.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4109   -0.8934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0057   -0.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2868    1.0734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7033    1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8388    0.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5578   -0.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1412   -1.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  6  1  0
M  END
$$$$
Mol_6300
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -7.7942   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942   -0.3462    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
M  END
$$$$
Mol_6301
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -3.4397    0.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9440    0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0977   -0.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3980   -0.8383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2442   -2.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0474    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3995   -0.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3047    1.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6969    1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
M  END
$$$$
Mol_6302
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
    6.9271    0.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8416   -0.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4023    0.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -0.6836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8775   -0.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7919   -1.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6473   -0.8737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7329   -1.9089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0010    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4403    1.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7940    2.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5258   -0.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9651    0.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0507   -0.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
M  END
$$$$
Mol_6303
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
    3.5948    3.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6536    1.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2629    0.5072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3218   -0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8134    0.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227   -1.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9732   -1.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5825   -3.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0857   -0.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5352   -1.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5941    0.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0436   -0.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1025    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5520    0.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7118    2.1514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
M  END
$$$$
Mol_6304
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    6.6789    0.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4603   -0.2117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0935    0.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8749   -0.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5081    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2895   -0.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0772   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958   -0.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6626   -0.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8812   -1.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8108    1.1291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1775    1.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
M  END
$$$$
Mol_6305
     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
  -11.5965    0.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3141   -0.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9990    0.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7167   -0.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4016    0.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1192   -0.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8041    0.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5218   -0.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2066    0.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0757   -0.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3908    0.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6731   -0.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9883    0.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2706   -0.6181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5857    0.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8680   -0.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1832    0.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6828    0.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9614    1.3288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 17  1  0
M  END
$$$$
Mol_6306
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.9403    0.4737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9317   -0.6366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4658   -0.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0086    1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4573    1.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4658    0.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9317    0.6366    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9403   -0.4737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0086   -1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4573   -1.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9 10  2  0
 10  3  1  0
M  END
$$$$
Mol_6307
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -3.0851    0.4695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0677   -0.6327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6045   -0.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1586    1.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3047    1.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3221    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8762   -1.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4129   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
M  END
$$$$
Mol_6308
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -5.6789    0.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2916    0.5763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1039   -0.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7166    0.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5290   -0.6857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8583   -0.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0579    1.3714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4452    1.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6329    1.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4333   -0.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0460   -1.0315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8464   -2.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11  6  1  0
M  END
$$$$
Mol_6309
     RDKit          2D

  6  6  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
M  END
$$$$
Mol_6310
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
    3.1538   -0.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6936    1.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4234    2.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625    1.9299    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5680    1.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6675    0.7888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7234   -0.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7030   -1.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2040   -1.8656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -2.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5885   -1.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1247   -0.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0688    0.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 11  1  1  0
 13  4  1  0
M  END
$$$$
Mol_6311
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -3.3270   -0.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9478    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7688    1.9752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9690    2.8749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7475   -0.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9266   -1.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3058   -2.4926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2737   -2.8027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6529   -2.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8320   -0.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2112   -0.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3903    1.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900    2.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8108    1.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6317    0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15  5  1  0
 15 10  1  0
M  END
$$$$
Mol_6312
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -5.3637    0.9533    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1466    0.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9296   -0.8003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5617   -0.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3447   -1.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0232   -0.4461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1740    1.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5419    1.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7589    0.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081   -0.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2402   -1.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
M  END
$$$$
Mol_6313
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
    4.0209    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5588    0.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1177   -0.8477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6555   -1.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3655   -0.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8277   -0.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8487    0.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3109    0.3454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
M  END
$$$$
Mol_6314
     RDKit          2D

  4  3  0  0  0  0  0  0  0  0999 V2000
    1.8905    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8119   -0.5702    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6302   -0.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0722    0.2553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  3  0
M  END
$$$$
Mol_6315
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.5981   -1.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -1.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -1.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -1.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    1.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 10  2  1  0
M  END
$$$$
Mol_6316
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    1.9486   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6495   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6495   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9486   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9486    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6495    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6495    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9486    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  2  1  0
M  END
$$$$
Mol_6317
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -7.1734    1.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2063    0.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7156   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1922   -1.2685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7297    0.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7626   -0.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2860   -0.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7767    1.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3002    1.4639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6670    0.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435    0.5817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1107   -0.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5872   -0.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544   -1.4471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0309   -1.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5403    0.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5731    1.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0966    1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1577   -1.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3189   -1.3578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 10 19  1  0
 19 20  2  0
 20  7  1  0
 18 13  1  0
M  END
$$$$
Mol_6318
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -5.3236   -0.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9044    0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7741   -0.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3550   -0.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0642    0.3271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4833    0.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6136   -0.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0328    0.3128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1631   -0.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  3  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
M  END
$$$$
Mol_6319
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
   -9.7451   -0.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4410    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1471   -0.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8430    0.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5491   -0.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2450    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9511   -0.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6469    0.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6469   -0.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9511    0.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2450   -0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5491    0.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8430   -0.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1471    0.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4410   -0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7451    0.3086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
M  END
$$$$
Mol_6320
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -5.8362    0.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6005    0.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7189   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2463    0.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0105   -0.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6563    0.5728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5795   -0.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610   -1.7727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9337    0.3677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1694   -0.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5236    0.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7594   -0.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6421    1.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
M  END
$$$$
Mol_6321
     RDKit          2D

 24 24  0  0  0  0  0  0  0  0999 V2000
    9.0222    1.5342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8972    0.5420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4755    1.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3505    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9288    0.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8038   -0.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3821   -0.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2571   -1.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5539   -2.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5711   -3.4627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9756   -2.9486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1647   -0.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2896   -1.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9928   -2.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7114   -1.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8363   -2.0283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0082    0.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4299    0.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7267    2.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8832    1.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1800    2.8968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0550    3.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4614    0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3365    1.9405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  8 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  2  0
 20 21  1  0
 21 22  1  0
 20 23  1  0
 23 24  2  0
 23 12  1  0
M  END
$$$$
Mol_6322
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
    3.2094    0.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0093   -0.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6299    0.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5702   -0.6981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9495   -0.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3289    0.4809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  3  0
M  END
$$$$
Mol_6323
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    0.7749    2.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0248    0.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5236    1.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3233   -0.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5924    0.5647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0543   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1230   -1.5041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6744   -0.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1733   -0.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1153   -1.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2313    1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6722   -0.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  4  7  1  0
  2  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
M  END
$$$$
Mol_6324
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.7908   -1.3638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2676    0.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7885    0.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1212    1.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3626    1.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6124   -0.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9558   -0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2054    0.0992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5488   -0.5681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7171   -0.7580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  6 10  1  0
 10  3  1  0
M  END
$$$$
Mol_6325
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
    3.8075    1.6779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6027    0.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2135   -0.3738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0088   -1.8597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0290    0.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3603   -0.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5650   -1.5052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5448    0.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9340    0.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1186    1.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1388   -1.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
M  END
$$$$
Mol_6326
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
    4.0595   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5595   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1713   -1.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1106   -2.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3383   -2.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7872   -2.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8478   -1.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2361    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8478    1.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7872    2.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3383    2.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1106    2.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1713    1.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  2  1  0
M  END
$$$$
Mol_6327
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -6.1949    0.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8213    0.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6125   -0.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2389    0.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0302   -0.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3434    0.1507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5521   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3873   -2.2285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9257   -0.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1345   -1.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0906    1.3561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4642    1.9588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
M  END
$$$$
Mol_6328
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.6042   -1.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3906   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0360   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9176    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0360    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3906    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6042    1.6317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  2  1  0
M  END
$$$$
Mol_6329
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -4.4420    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9426    0.5643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1552   -0.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6559   -0.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1315   -1.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0561    0.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5555    0.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2675    2.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3429   -0.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8422   -0.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
M  END
$$$$
Mol_6330
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.0000    0.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    2.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135   -1.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -1.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  8  2  1  0
 11  7  1  0
M  END
$$$$
Mol_6331
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
    1.6070    1.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8041    0.7203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3573   -0.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7516   -0.1208    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.9853   -2.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5117   -2.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0649   -0.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5180   -0.4561    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0902    0.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6929    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6311    2.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1769    0.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 10  2  1  0
  9  3  1  0
M  END
$$$$
Mol_6332
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -2.9105    2.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2148    1.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0179    0.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3222   -1.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6266   -2.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6512   -1.9112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9933   -0.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3356    0.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6646    0.8713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9689    2.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9935    1.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3602   -0.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8589   -0.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5546   -1.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  4  7  1  0
  7  8  3  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
M  END
$$$$
Mol_6333
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -6.9842   -0.1912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6252    0.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3958   -0.4155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0368    0.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8074   -0.6398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4485   -0.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7810   -0.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1399   -0.2290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4524   -0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6365   -2.4439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5486    0.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9136    1.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4010    2.3398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13  8  1  0
M  END
$$$$
Mol_6334
     RDKit          2D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -1.2990    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$
Mol_6335
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    5.0637    0.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7696   -0.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4657    0.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1716   -0.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1324    0.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4265   -0.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4166   -1.8843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7304    0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0245   -0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7402    1.8571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  8 10  2  0
M  END
$$$$
Mol_6336
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.8269    2.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7175    1.8689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7115    2.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8209    1.3153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5014   -0.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6108   -1.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0398   -0.7038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0723   -0.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2472   -2.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6762   -2.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7857   -1.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4661   -0.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0371    0.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  2  1  0
 13  8  1  0
M  END
$$$$
Mol_6337
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
    8.0466    0.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8065   -0.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4556    0.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2155   -0.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8646    0.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6245   -0.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2737    0.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9665   -0.7699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3173   -0.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5575   -0.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9083   -0.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1484   -1.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0191    1.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3699    1.8383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
M  END
$$$$
Mol_6338
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
    8.7434    0.3499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4530   -0.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1455    0.3202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8551   -0.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5476    0.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2572   -0.4742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9497    0.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3407   -0.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6482    0.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9386   -0.5336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2461    0.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2632    1.7014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5365   -0.5633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8440    0.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1344   -0.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
M  END
$$$$
Mol_6339
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -6.0449    3.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1125    2.9357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7338    1.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2875    1.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9088   -0.3648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0838   -2.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6375   -2.6117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2587   -4.0631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5699   -1.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8764   -1.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2552   -3.4071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9440   -0.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6329    1.6030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792    1.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4580   -0.2461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2830   -2.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2154   -3.1489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9719    0.4099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4182    0.0121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5931    1.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6607    2.9150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1468    2.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7681    3.7104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1190    0.9471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9486   -0.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3949    0.2911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9764   -1.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4227   -1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8014    0.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2477    0.8284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  4  5  1  0
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  6  7  2  0
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  8 10  1  0
 10 11  2  0
 11 12  1  0
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 13 14  2  0
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 17 18  1  0
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 27 28  2  0
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  5 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 32  3  1  0
 29  6  1  0
 28 10  1  0
 25 16  1  0
M  END
$$$$
Mol_6340
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -7.8904   -0.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5858    0.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2924   -0.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9878    0.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6944   -0.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3898    0.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0964   -0.4814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2196    1.7587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5016   -0.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8062    0.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0996   -0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042    0.2194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6976   -0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
M  END
$$$$
Mol_6341
     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
  -10.3923   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0933    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   -0.3529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0933    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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 10 11  1  0
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 15 16  1  0
 16 17  1  0
M  END
$$$$
Mol_6342
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    5.2835    0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1031   -0.2493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7113    0.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5309   -0.6154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1392   -0.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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  4  5  1  0
  5  6  1  0
  6  7  1  0
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  7  9  1  0
  9 10  1  0
M  END
$$$$
Mol_6343
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -5.3072    4.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8919    3.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9712   -0.6622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5666   -0.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
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  7  8  1  0
  8  9  2  0
  9 10  1  0
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 11 12  1  0
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 14 15  2  0
  7 16  1  0
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 29 30  1  0
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 20 32  1  0
 32 33  2  0
 33  6  1  0
 15  8  1  0
 33 17  1  0
 31 24  1  0
M  END
$$$$
Mol_6344
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -2.0785    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7794    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196   -0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
M  END
$$$$
Mol_6345
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.7779   -1.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5081   -0.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5649    1.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2952    1.9512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0313    1.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0881   -0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5544    0.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6541   -1.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1816   -1.0466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9  2  1  0
M  END
$$$$
Mol_6346
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.0751    0.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0665   -0.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6007    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1434    1.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3224    1.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3310    0.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8737   -0.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4079   -1.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0493   -2.5216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8  3  1  0
M  END
$$$$
Mol_6347
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -3.8663   -0.2023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4111    0.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9560    0.5260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0869   -0.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5420   -0.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9843   -0.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6202    0.8549    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  5  1  0
M  END
$$$$
Mol_6348
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
    1.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.2990    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
M  END
$$$$
Mol_6349
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -3.2624   -0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9270    0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6677   -0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6677    0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270   -0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2624    0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  1  0
M  END
$$$$
Mol_6350
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.5981   -1.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.1250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  2  1  0
M  END
$$$$
Mol_6351
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    6.8098    0.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5367   -0.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2132    0.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9401   -0.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6166    0.2421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3435   -0.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9800    0.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2531   -0.6388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5766    0.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6272    1.5662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8497   -0.7263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1732   -0.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
M  END
$$$$
Mol_6352
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.8748   -0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4825    0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3029   -0.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0893   -0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2689   -0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3020    1.4551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
M  END
$$$$
Mol_6353
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
    8.3529   -0.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9782   -0.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1892   -1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8145   -0.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6073   -1.6827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8107    1.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0179    2.1687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
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 24  2  1  0
 20 11  1  0
M  END
$$$$
Mol_6354
     RDKit          2D

 34 36  0  0  0  0  0  0  0  0999 V2000
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    1.3470   -1.3925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9340    0.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  2  3  1  0
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  3  5  1  0
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 10 11  1  0
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 30 19  1  0
 30 25  1  0
M  END
$$$$
Mol_6355
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -4.3314    0.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1849   -0.3824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6275   -0.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7834   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0247   -1.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2092   -0.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6999    1.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2007    1.1097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9  5  1  0
M  END
$$$$
Mol_6356
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.8748   -0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4825    0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3029   -0.5880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0893   -0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2689   -0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3020    1.4551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
M  END
$$$$
Mol_6357
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.9438   -0.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6860   -0.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3494   -0.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0915    0.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4064    0.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431   -0.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8219   -2.0599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5891    1.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5103    2.8745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  5  8  1  0
  8  9  2  0
  8  4  1  0
M  END
$$$$
Mol_6358
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
    7.5496   -0.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3734   -1.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9791   -1.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8030   -2.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4087   -1.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0144   -0.9459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3799   -0.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5561   -1.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9504   -0.7706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1265   -1.7015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5208   -1.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6970   -2.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7390    0.3356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5981    1.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5781    2.0222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3599    3.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5361    4.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0344    4.0594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  3  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
  7 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
M  END
$$$$
Mol_6359
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -3.4808   -0.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9828   -0.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1678   -1.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2997    0.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1984    1.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8815    2.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0134   -0.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5114   -0.1614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3264   -1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
M  END
$$$$
Mol_6360
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.0172   -1.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4629   -0.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3929    1.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9787    0.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0487   -1.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4355   -0.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3655   -2.0413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9898    0.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4740    0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0599    1.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4244    1.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11  4  1  0
M  END
$$$$
Mol_6361
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -4.2882   -0.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8278   -0.3774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3943    1.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9339    1.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5004    2.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0929    0.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5533    0.6503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9868    2.0862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5801   -0.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1466   -1.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0405   -0.1006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3406   -1.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6862   -2.2217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8010   -1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
  6 12  1  0
 12 13  1  0
 12 14  2  0
 14  2  1  0
M  END
$$$$
Mol_6362
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.4783   -1.3797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0677   -0.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1741   -1.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3580   -0.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7990   -1.2065    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8480    0.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6894    1.8624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6512    0.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1279    0.8350    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5434    2.0675    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
  8  2  1  0
M  END
$$$$
Mol_6363
     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
   -5.2345   -1.2226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0536    0.2664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2527    1.1676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6736    0.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4745   -0.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3756   -1.2460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5733    1.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0843    0.9714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1612    2.5323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2753   -0.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4562   -2.4371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1047   -0.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3038   -1.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6838   -0.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8646    0.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2446    1.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4438    0.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8238    1.0903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2629   -0.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8829   -1.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  5 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 14  1  0
M  END
$$$$
Mol_6364
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -4.2551   -0.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8948    0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6672   -0.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069    0.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207   -0.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2810   -0.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5085   -0.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    1.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
M  END
$$$$
Mol_6365
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.0433    2.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1298    1.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5259    1.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6991    0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4762   -0.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0802   -1.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8573   -2.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9070   -0.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5303   -1.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9670   -1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5157   -0.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9676    0.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3443   -1.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5909    1.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4195    0.4661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575    0.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 12 15  1  0
 11 16  1  0
  8  2  1  0
 16  8  1  0
M  END
$$$$
Mol_6366
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    5.0540   -0.3356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5549   -0.2843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7608   -1.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2617   -1.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4677   -2.7781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0315   -2.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7365   -1.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2357   -1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9408   -0.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1467    1.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6476    1.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8536    2.4664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6456    2.4150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4396    3.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3506    1.0911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9425   -0.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 11 16  2  0
 16  7  1  0
M  END
$$$$
Mol_6367
     RDKit          2D

 23 23  0  0  0  0  0  0  0  0999 V2000
    4.6715   -2.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4423   -1.5097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0832   -2.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8539   -1.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5051   -1.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1296   -3.2786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0852   -0.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8642   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9838    0.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2454    1.0692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6045    0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8313   -0.6352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8338    1.2941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1929    0.6594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8276    2.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5581   -0.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5519    0.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3429    0.8443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4727    2.3387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9784    2.4685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9671    2.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6026    3.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5721   -0.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  4  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 14 17  1  0
  9 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 19 22  1  0
 18 23  2  0
 23  2  1  0
M  END
$$$$
Mol_6368
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.3317   -1.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0596    0.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2010    1.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6460    0.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5046   -0.4257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9089    0.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3338    1.5147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8332    1.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3351    0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -0.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1863   -2.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10  6  2  0
M  END
$$$$
Mol_6369
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    4.0896    0.8503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0738   -0.2534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6101    0.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5943   -1.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8694   -0.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1973   -2.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5416    0.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6453    1.7781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3332   -0.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7811    1.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  5  9  1  0
  9 10  1  0
M  END
$$$$
Mol_6370
     RDKit          2D

  4  4  0  0  0  0  0  0  0  0999 V2000
    1.7745    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  2  1  0
M  END
$$$$
Mol_6371
     RDKit          2D

  5  5  0  0  0  0  0  0  0  0999 V2000
    1.2760   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  1  2  0
M  END
$$$$
Mol_6372
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -2.8154    1.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5972    0.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7460   -1.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5278   -2.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2302    0.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9881    0.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3551    0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5733   -0.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
M  END
$$$$
Mol_6373
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    2.6784   -1.3663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2692    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8599    1.3912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6479   -0.5783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8904    0.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6894   -0.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6894    0.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8904   -0.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2692   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6784    1.3663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8599   -1.3912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6479    0.5783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
M  ISO  4   1   2   3   2  10   2  11   2
M  END
$$$$
Mol_6374
     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    4.3191    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0586   -1.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3086   -2.7762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1595   -3.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -4.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -4.2535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1595   -3.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3086   -2.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0586   -1.4772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3191    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0586    1.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3086    2.7762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1595    3.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    4.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    4.2535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1595    3.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3086    2.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0586    1.4772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18  1  1  0
M  END
$$$$
Mol_6375
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
    8.1565    0.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8784   -0.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5594    0.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2813   -0.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9623    0.2949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6841   -0.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3652    0.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9130   -0.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2319    0.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5101   -0.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8290    0.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8698    1.5824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1072   -0.7020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4262    0.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
M  END
$$$$
Mol_6376
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -2.7843   -2.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8368   -1.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1613   -0.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2139    1.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9419    1.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6174    1.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5649   -0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2404   -1.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0316   -0.2701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9791    1.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3454    1.9331    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3886    1.7422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3122    0.5603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8113    0.6128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4736   -0.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7981   -1.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9118   -2.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
  7  2  1  0
 15  9  1  0
 11  6  1  0
M  END
$$$$
Mol_6377
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -4.8190    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6852   -0.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2678   -0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9843    0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5669    1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2835    2.9459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5669    0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9843    0.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1182   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5356    0.4910    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8347   -1.4730    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2835   -0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174   -1.9640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1339   -1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  7 12  1  0
 12 13  1  0
 12 14  2  0
 14  3  1  0
M  END
$$$$
Mol_6378
     RDKit          2D

  9 10  0  0  0  0  0  0  0  0999 V2000
    1.9555    1.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7419    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7419   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9555   -1.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6847   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1112   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1112    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6847    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1970    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8  2  1  0
  9  5  1  0
M  END
$$$$
Mol_6379
     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
    5.9723   -2.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0120   -1.0866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7333   -0.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4148   -1.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1361   -0.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8177   -0.9491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4611   -0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7795   -0.8804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8192   -2.3798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0582   -0.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8424   -1.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3370    0.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6554   -0.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6951   -1.5270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9342    0.7566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2741    1.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7747    1.1428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9895    2.5009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1758    1.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4942    1.9811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7729    1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0914    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 10 16  1  0
 16 17  2  0
 16 18  1  0
  5 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21  3  1  0
M  END
$$$$
Mol_6380
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
  -11.7682   -0.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4462    0.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1714   -0.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8494    0.4348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5746   -0.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2526    0.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9778   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6558    0.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3810   -0.5193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0590    0.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2158   -0.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5378    0.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8126   -0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1346    0.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1818    1.5251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4093   -0.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7313   -0.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7786    1.4434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0061   -0.8464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3281   -0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
M  END
$$$$
Mol_6381
     RDKit          2D

 25 24  0  0  0  0  0  0  0  0999 V2000
   -2.3536    2.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7895    1.5077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3038    1.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2603   -0.0886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7460   -0.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6677    0.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1036    2.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0253    3.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4612    4.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3829    6.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6614   -1.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5221   -2.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9120   -1.6297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0954   -2.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4853   -1.9873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6688   -2.9089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0587   -2.3449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8448   -0.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2347   -0.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4182    0.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8081   -0.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9915    0.3648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3814   -0.1993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5830   -2.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0190   -3.8454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  4 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 11 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 11 24  1  0
 24 25  1  0
M  END
$$$$
Mol_6382
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
M  END
$$$$
Mol_6383
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.0646   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5863    0.1540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0676    1.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6268   -0.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1486   -0.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3702    0.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8485    0.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3672    2.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8079   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2892   -1.6431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8109   -1.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11  5  1  0
M  END
$$$$
Mol_6384
     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -5.7551   -0.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5245   -1.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1664   -0.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0389    0.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6808    1.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5533    3.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4502    0.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9079    1.3025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1384    0.4448    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    2.9962    1.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2807   -0.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3690   -0.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5113   -1.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2267    0.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5996   -1.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5777   -0.8289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6528   -1.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9358   -1.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 12 15  1  0
  7 16  1  0
 16 17  1  0
 16 18  2  0
 18  3  1  0
M  END
$$$$
Mol_6385
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -2.7770    2.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6447    1.4150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9307   -0.0575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7985   -1.0414    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7823   -2.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3338   -2.0253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1854    0.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6579   -0.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6418    0.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1143    0.6512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
M  END
$$$$
Mol_6386
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -5.5321    0.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0799    0.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0285   -0.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5763    0.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5248   -1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9274   -0.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0849   -1.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3499   -0.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9742    0.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9282    1.8166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4770    0.7505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11  6  1  0
M  END
$$$$
Mol_6387
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.4214   -2.2269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2071   -0.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8143   -0.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3643   -1.1135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7571   -0.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9357   -1.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9714    0.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7929    1.8558    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7786    2.2269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9  3  1  0
M  END
$$$$
Mol_6388
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -7.1488    0.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8407   -0.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5509    0.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2428   -0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9530    0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6449   -0.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6449    0.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9530   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2428    0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5509   -0.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8407    0.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1488   -0.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
M  END
$$$$
Mol_6389
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.5981   -1.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -1.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -1.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -1.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    1.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.7273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 10  2  1  0
M  END
$$$$
Mol_6390
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.9910   -1.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2785    0.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7791    0.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0674    1.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5067    1.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5497   -0.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7880   -1.1859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1370   -0.8436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  3  1  0
M  END
$$$$
Mol_6391
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.2553    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7553   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0053   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4947   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3937   -0.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3937    0.9642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4947    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0053    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  8  9  1  0
  9  2  1  0
M  END
$$$$
Mol_6392
     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
    1.7941   -2.8344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6021   -1.9238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5715   -2.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7948   -0.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7037   -0.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7722    0.9937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8068   -1.8508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2021   -0.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0107    0.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5091    0.6215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3177    1.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4670    1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5708    2.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0024    1.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1061    2.6109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3301    0.1315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2263   -0.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
  4 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17  4  1  0
M  END
$$$$
Mol_6393
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.9904   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4904   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6088    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8178    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0314    1.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8178   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0314   -1.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6088   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  2  1  0
M  END
$$$$
Mol_6394
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.9910   -1.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2785    0.3011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7791    0.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0674    1.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5067    1.1600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5497   -0.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7880   -1.1859    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1370   -0.8436    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  3  1  0
M  END
$$$$
Mol_6395
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.6450    0.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5176   -0.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0970    0.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9696   -0.8774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4510   -0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7442    1.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1647    1.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2921    0.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9989   -0.9036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5783   -1.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
M  END
$$$$
Mol_6396
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.9285   -1.7706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6704   -0.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2617    0.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8505    1.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7759    2.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6485    1.7197    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1638    0.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6063   -0.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6837    0.9436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0168   -0.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0380   -2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3635   -2.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  7 10  2  0
 10 11  1  0
 11 12  1  0
 10  3  1  0
M  END
$$$$
Mol_6397
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.9220   -0.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228   -0.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6307   -1.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1315   -1.8859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5756   -0.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2164    0.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7156    0.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5076    1.9356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4965   -1.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0798   -3.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9072   -1.2372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8582    0.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4172    0.6786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9073    2.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8741    3.2362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5693    2.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  5  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
  7  2  1  0
 13  5  1  0
M  END
$$$$
Mol_6398
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -4.2551   -0.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8948    0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6672   -0.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069    0.2155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207   -0.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2810   -0.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    1.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5085   -0.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
M  END
$$$$
Mol_6399
     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
    5.2385    0.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9942   -0.1727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9403   -1.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4981   -2.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6605   -0.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7426   -2.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7444   -1.8226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3172   -0.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8042   -0.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2689   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7401   -1.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0059   -2.5426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3770    1.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8640    1.3443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4628    2.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9758    2.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4030    0.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5112    1.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0840    0.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1270    1.6339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5821    1.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5851    0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
  9 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
  5 22  1  0
 21  2  1  0
 22  2  1  0
 19  5  1  0
 17  8  1  0
M  END
$$$$
Mol_6400
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
    4.8948    0.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6312   -0.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2994    0.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0358   -0.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2960    0.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5596   -0.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8913    0.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1550   -0.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9595    1.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
M  END
$$$$
Mol_6401
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -5.4004    0.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9023    0.9283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0872   -0.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5891   -0.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9062    1.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5918    1.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2747    2.4930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4070   -0.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9051   -0.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9815   -1.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8287    1.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4031    0.0511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7241   -1.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7739   -1.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4568   -2.8492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
  8 13  1  0
 13 14  2  0
 14 15  1  0
 14  4  1  0
M  END
$$$$
Mol_6402
     RDKit          2D

 42 45  0  0  0  0  0  0  0  0999 V2000
  -10.2634   -3.4358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7969   -3.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7906   -2.6388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2508   -1.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7173   -0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
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 19 32  1  0
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 34 35  1  0
 13 36  1  0
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 40 41  1  0
 41 42  2  0
 34 17  1  0
 42 37  1  0
 31 22  1  0
 31 25  1  0
M  END
$$$$
Mol_6403
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.5981   -2.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -1.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8971    0.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
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  7  9  1  0
  6 10  1  0
 10 11  2  0
 11 12  1  0
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 12 14  1  0
 11  2  1  0
M  END
$$$$
Mol_6404
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.7875   -0.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3691    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0826    1.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2372   -0.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5237   -2.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1811   -0.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1655    1.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6535   -0.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  6  1  0
M  END
$$$$
Mol_6405
     RDKit          2D

 28 29  0  0  0  0  0  0  0  0999 V2000
  -12.3546    0.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9581    0.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7857   -0.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.2168   -0.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0272    1.1554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1106    0.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5071    0.9264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6795   -0.0093    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
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    5.3974    1.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0803    2.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8864   -1.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4899   -1.6517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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M  END
$$$$
Mol_6406
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -6.2281   -0.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0297   -0.9161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9260   -3.2263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9262   -0.7475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3394    0.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8452    0.5015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8606    1.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6117    1.3462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3482    3.0517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3636    4.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 12  7  1  0
M  END
$$$$
Mol_6407
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -4.9455   -1.3065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6216    0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7280    1.1709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8673    2.0744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2063    0.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4191   -1.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9887   -1.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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 15 16  2  0
 16 10  1  0
M  END
$$$$
Mol_6408
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -4.7647   -0.7797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3190   -0.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2497   -1.4315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2654   -2.0832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0873   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5329    0.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9092    1.6212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0179    0.8209    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9428    1.0725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 13 15  1  0
 15  2  1  0
 12  4  1  0
M  END
$$$$
Mol_6409
     RDKit          2D

 34 35  0  0  0  0  0  0  0  0999 V2000
  -14.6372   -0.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2965    0.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.7028    0.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4500   -0.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1092    0.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8564   -0.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6938    1.6394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9467    0.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8588   -0.6829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1117   -1.5077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0238   -3.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2767   -3.8299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4525   -0.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7053   -1.6599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5403    0.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8811    1.3350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2875    1.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3753    2.9846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652   -0.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5181   -1.3555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9245   -1.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8366   -2.7007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 22 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 18 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 33 13  1  0
 29 20  1  0
M  END
$$$$
Mol_6410
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.2975    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5475   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2975   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0475   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8342    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2608    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2608   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8342   -1.2135    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  4  1  0
M  END
$$$$
Mol_6411
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
    4.1550    0.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8913   -0.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9595   -1.5338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5596    0.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2960   -0.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0358    0.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2994   -0.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6312    0.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8948   -0.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
M  END
$$$$
Mol_6412
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -2.9274    0.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6736   -0.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7598   -1.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3336    0.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9202   -0.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2602    0.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5140   -0.3095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
M  END
$$$$
Mol_6413
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    4.5458    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0458    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7120   -1.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7768   -2.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4253   -3.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0747   -3.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4262   -2.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3614   -1.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6952    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3614    1.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4262    2.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0747    3.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4253    3.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7768    2.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7120    1.4624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15  2  1  0
M  END
$$$$
Mol_6414
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    6.8098    0.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5367   -0.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2132    0.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9401   -0.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6166    0.2421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3435   -0.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9800    0.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2531   -0.6388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5766    0.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6272    1.5662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8497   -0.7263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1732   -0.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
M  END
$$$$
Mol_6415
     RDKit          2D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
M  END
$$$$
Mol_6416
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -2.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
M  END
$$$$
Mol_6417
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
    6.3175    3.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5884    2.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3591    1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8589    1.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6301   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1303   -0.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4012   -1.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9014   -1.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1723   -2.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3275   -2.9646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0982   -1.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5980   -1.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3688   -0.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8686   -0.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6393    0.8479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1391    0.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9099    2.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4097    2.0866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
M  END
$$$$
Mol_6418
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -3.0851    0.4695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0677   -0.6327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6045   -0.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1586    1.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3047    1.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3221    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8762   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4129   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
M  END
$$$$
Mol_6419
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
    2.8544    2.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6887    0.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8969   -0.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7313   -1.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3148    0.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1491   -1.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1065    0.9584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2674    0.3565    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -1.8693    1.7304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655   -1.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6414   -0.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0394   -1.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2433    1.1285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0153   -0.8474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  2  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
M  END
$$$$
Mol_6420
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.4665    0.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9915    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0177   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5427   -0.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0416    1.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4334    1.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4072    0.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8822    0.4540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9061   -1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4311   -1.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10  4  1  0
M  END
$$$$
Mol_6421
     RDKit          2D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.2990   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
M  END
$$$$
Mol_6422
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.9845   -2.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1940   -1.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3020   -1.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6599    0.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3128    1.5728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0712   -0.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2169    0.6823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3367   -1.7621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3851    1.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7607    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9064   -0.9234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1812   -0.1329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5701   -0.6995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8233    1.3238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3274    1.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5369    2.7084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  4  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 10  2  1  0
 15 10  1  0
M  END
$$$$
Mol_6423
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -4.1060   -0.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7867    0.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7454    1.9454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5089   -0.3395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5502   -1.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2723   -2.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0469   -1.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0882   -0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4412   -1.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897    0.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625    1.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6581    1.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2302    0.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6882    0.2093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8439    1.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 10  4  1  0
 15  4  1  0
 13  8  1  0
M  END
$$$$
Mol_6424
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
    2.9351   -1.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9789   -0.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3519    1.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0854    1.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0703    0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4819   -0.4740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9128   -1.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5084   -2.4029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4650    0.3684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0172    1.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8596   -0.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
  6  2  1  0
  9  5  1  0
M  END
$$$$
Mol_6425
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    1.9486   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6495   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6495   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9486   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9486    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6495    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6495    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9486    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  2  1  0
M  END
$$$$
Mol_6426
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -5.9703    0.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4704    0.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7046   -0.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2047   -0.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4706    0.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0293    0.7598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7634    2.0679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2633    2.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7950   -0.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9558   -1.4801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9323    0.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3480   -0.0477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4852    0.9304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6264   -1.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0609   -1.8381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4390   -1.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
  9 15  1  0
 15 16  2  0
 16  4  1  0
M  END
$$$$
Mol_6427
     RDKit          2D

  6  6  0  0  0  0  0  0  0  0999 V2000
    2.3133   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8133   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0684    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4949    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4949   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0684   -1.2135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  2  1  0
M  END
$$$$
Mol_6428
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -2.5981    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  6  8  1  0
M  END
$$$$
Mol_6429
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
    3.5140    0.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2602   -0.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9202    0.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3336   -0.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6736    0.0110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7598    1.5085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9274   -0.8124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
M  CHG  2   5   1   7  -1
M  END
$$$$
Mol_6430
     RDKit          2D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.9796   -0.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5994    0.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5994   -0.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9796    0.1365    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
M  END
$$$$
Mol_6431
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    4.5460    1.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7014    0.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2056    0.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3611   -1.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1348   -0.9669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0232    0.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2463   -2.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6306   -0.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2819    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6332   -0.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9307    1.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333    1.8470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
M  END
$$$$
Mol_6432
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  7 11  1  0
 11 12  2  0
 12  4  1  0
M  END
$$$$
Mol_6433
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.7608    0.6068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4248   -0.0754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2429   -1.3327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8861    1.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6118    1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9988   -0.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3987   -0.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5652    0.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2599   -1.0203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9  2  1  0
M  END
$$$$
Mol_6434
     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
    0.9642   -3.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9642   -3.3080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -1.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8481    2.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -0.4580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    1.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.3411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -0.4580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8481    2.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    1.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -1.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  5 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
 12 17  2  0
 17  2  1  0
M  END
$$$$
Mol_6435
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -6.6957    0.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2235    0.5794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2384   -0.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7254   -1.9705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7662   -0.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7386   -1.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3051    1.1357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3622    2.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8805    2.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3416    0.6692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6013    1.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1402    0.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0830    1.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5648    1.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1037   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5854   -0.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1243   -1.6636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5283    0.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1608   -1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6791   -0.9639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7362   -2.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7456   -1.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2844   -0.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
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 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23  5  1  0
 23 10  1  0
 20 12  1  0
M  END
$$$$
Mol_6436
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -4.2078   -0.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8221    0.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6319   -0.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2462   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8205    1.3628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1395    0.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3350    2.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7207    2.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3282   -1.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8154   -1.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3897   -2.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  4  9  1  0
  9 10  1  0
 10 11  2  0
M  END
$$$$
Mol_6437
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -3.9105    0.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7714   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0471   -1.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3566    0.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0809    1.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3338    2.3224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4729    1.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8876    1.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1972   -0.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6971   -0.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4424   -1.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8465   -2.1354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2176   -0.6265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4933   -2.1009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
  9 13  1  0
 13 14  2  0
 13  4  1  0
M  END
$$$$
Mol_6438
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.9568   -0.1496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4912    0.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0256    0.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0162   -0.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4494   -0.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9056    1.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3712    1.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3806    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9244   -1.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4588   -1.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
M  END
$$$$
Mol_6439
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -5.8549    0.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4905    0.8049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2685   -0.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4109   -1.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9042    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6822   -0.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6822    0.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2685    0.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4109    1.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4905   -0.8049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8549   -0.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
M  END
$$$$
Mol_6440
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
   -7.5376   -0.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2515   -0.0594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2770    1.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9399   -0.7872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6538   -0.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3422   -0.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0561    0.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0816    1.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2555   -0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5416    0.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8532   -0.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1393    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1138    1.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4509   -0.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7370    0.1614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0486   -0.5664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  2  0
M  END
$$$$
Mol_6441
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -4.1220   -0.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2673    0.5315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7724    0.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9176    1.6403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1323   -0.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3626   -1.0729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2174    0.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7122    0.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5670    1.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
M  END
$$$$
Mol_6442
     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
  -10.1761    0.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9199   -0.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5819    0.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3257   -0.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9877    0.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7315   -0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3935    0.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1373   -0.5763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2192   -2.0740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2007    0.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4569   -0.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7949   -0.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8768    1.4577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2148    2.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4710    1.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8090    1.9938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3891   -0.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6453   -1.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5634   -2.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0511   -0.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
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 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  2  0
 20 12  1  0
M  END
$$$$
Mol_6443
     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
  -11.6746    0.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4091   -0.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0789    0.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8134   -0.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4833    0.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2178   -0.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8876    0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6221   -0.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2920    0.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0264   -0.6131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0911   -2.1117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3037    0.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5692   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8994   -0.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9640    1.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2942    2.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5597    1.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8898    2.0482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4950   -0.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7605   -0.9490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6959   -2.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1649   -0.8370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  2  0
 22 14  1  0
M  END
$$$$
Mol_6444
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -4.9631    1.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1211    0.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9082   -0.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5374   -0.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0462   -0.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2590   -1.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6298   -0.6084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7878    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1585    1.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3714    0.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7422    1.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2135   -0.8819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8427   -1.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4919   -0.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7047    0.4858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
  2 15  1  0
 15 16  1  0
 14  8  1  0
M  END
$$$$
Mol_6445
     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
  -10.9659   -0.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6277    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.0335    0.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7775   -0.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1833   -0.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5891   -0.5758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6712   -2.0735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7490    0.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0051   -0.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3432   -0.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4253    1.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7634    2.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0195    1.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3576    1.9932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9374   -0.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1934   -1.0023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1113   -2.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5992   -0.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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  6  7  1  0
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 16 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  2  0
 21 13  1  0
M  END
$$$$
Mol_6446
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
    3.2978   -0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1514    0.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4160    1.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2696    2.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1413    2.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6988   -1.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0317   -2.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8354    1.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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  7  2  1  0
  8  5  1  0
 13  6  1  0
M  END
$$$$
Mol_6447
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.5981   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  2  1  0
M  END
$$$$
Mol_6448
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.3929    1.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4629   -0.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0172   -1.5150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9787    0.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4244    1.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0599    1.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9898    0.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4740    0.7463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4355   -0.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3655   -2.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0487   -1.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  2  0
 11  4  1  0
M  END
$$$$
Mol_6449
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.8413   -1.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1652   -0.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9867    0.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6675   -0.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1540   -1.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6517   -1.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3278   -0.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8254   -0.0221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5062    1.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0086    1.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8129    2.3200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 10  4  1  0
M  END
$$$$
Mol_6450
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -3.8971   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  5 10  1  0
 10 11  1  0
 10 12  1  0
M  END
$$$$
Mol_6451
     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
  -10.3923    0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0933   -0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942    0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952   -0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5981    0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952   -0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942    0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933   -0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923    0.3529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
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 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
M  END
$$$$
Mol_6452
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
  -11.6913    0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3923   -0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0933    0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942   -0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952    0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952    0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942   -0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933    0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923   -0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6913    0.3553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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  9 10  2  0
 10 11  1  0
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 13 14  1  0
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 16 17  1  0
 17 18  1  0
 18 19  2  0
M  END
$$$$
Mol_6453
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
   -8.8687   -1.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3789   -1.7515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4828   -0.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9930   -0.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0970    0.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6072    0.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7111    1.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2213    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6747    2.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1645    2.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7583    0.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2481    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8419   -0.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3317   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9255   -2.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4153   -2.2937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
M  END
$$$$
Mol_6454
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
   -9.0933   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2990   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933   -0.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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 10 11  1  0
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 13 14  1  0
 14 15  1  0
M  END
$$$$
Mol_6455
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.8935    1.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9686    0.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5290   -1.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0141   -1.3665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5620    2.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4869    0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0472    2.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9720    1.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8969   -0.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8514   -1.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9265   -0.5247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5586   -0.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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 15 16  1  0
 16  5  1  0
 15  8  1  0
M  END
$$$$
Mol_6456
     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -9.9334    0.6313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6782   -0.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3394    0.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0841   -0.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7453    0.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4901   -0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1513    0.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8961   -0.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4427    0.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6980   -0.7687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368   -0.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2920   -0.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6308   -0.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9650   -0.9224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0293    0.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3528    1.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8705    1.2438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 13  1  0
M  END
$$$$
Mol_6457
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -5.2542    1.5873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0229    0.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9921   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5563   -1.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0636   -2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6997    0.0282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5765   -1.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0762   -1.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7994    0.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2990    0.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0222    1.4654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0755   -1.1321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0229    1.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5232    1.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6061    1.2234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 10 14  1  0
 14 15  2  0
  6 16  1  0
 16  2  2  0
 15  7  1  0
M  END
$$$$
Mol_6458
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9  2  1  0
M  END
$$$$
Mol_6459
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.2689    0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0893    0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3020   -1.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3029    0.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4825   -0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8748    0.2197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  2  0
M  END
$$$$
Mol_6460
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -2.7865    0.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3548    0.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2514   -0.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5797   -1.7367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1803    0.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2837   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5086    1.6381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
M  END
$$$$
Mol_6461
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.5714    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0714   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1786   -1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9286    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1786    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
M  END
$$$$
Mol_6462
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
M  END
$$$$
Mol_6463
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -4.2259   -0.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9666    0.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0428    2.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6312    0.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3719    0.9198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9635    0.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8874    1.7348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0396   -1.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2197   -2.0763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5551   -1.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8144   -2.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3751   -1.9445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6344   -1.1295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5582    0.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2228    1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1467    2.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  8 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 10  4  1  0
 15  6  1  0
M  END
$$$$
Mol_6464
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.9366   -2.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3032   -1.5341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3419   -0.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1400    0.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5945    0.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6954   -0.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9654   -1.7738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6446    2.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7053    3.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7712    2.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0413    2.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2093    0.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1487   -0.5505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5976   -0.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4669   -2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0919   -0.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  4  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
  6  2  1  0
 14 12  1  0
 13  3  1  0
M  END
$$$$
Mol_6465
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.4369   -2.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3668   -0.7340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6293    0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0341   -0.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9640    1.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6313    2.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6313    1.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7014    2.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9640    2.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2265    1.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1564   -0.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8237   -0.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7535   -2.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0161   -3.2853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5611   -0.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7716   -0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 12 15  2  0
 15 16  1  0
 16  4  1  0
 15  7  1  0
M  END
$$$$
Mol_6466
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.8281   -2.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0998   -1.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5132   -0.6472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7850    0.8280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6433    1.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2299    1.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0882    2.2716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3252    1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5969    0.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0103   -0.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5126    1.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5081   -1.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4238   -0.7103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4553   -0.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9582   -0.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6864   -1.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
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  9 14  1  0
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 15  2  1  0
 15  6  1  0
M  END
$$$$
Mol_6467
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -4.3750   -0.6303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3238    0.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7249    1.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8715    0.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4704   -1.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0182   -1.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3829   -3.2017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0330   -0.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4341   -2.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4853   -1.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5365    0.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1354    1.4538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6831    1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2820    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6319    0.7591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8204    1.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
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 10 11  1  0
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 13 14  1  0
 13 15  1  0
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 16  4  1  0
 15  8  1  0
M  END
$$$$
Mol_6468
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -5.4787   -0.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1947   -0.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8812   -0.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8517    1.2884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5971   -0.9867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2836   -0.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2541    1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0594    1.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3435    1.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6570    1.9106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3140   -0.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5980   -1.0888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5686   -2.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0005   -1.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  2  0
 14  6  1  0
M  END
$$$$
Mol_6469
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
  -11.0873   -0.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7673    0.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4903   -0.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1703    0.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8933   -0.3839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5733    0.3285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2963   -0.4584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9763    0.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6993   -0.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207    0.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8978   -0.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2177    0.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2607    1.6046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4948   -0.6817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8148    0.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0918   -0.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4118   -0.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6888   -0.8306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4547    1.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
M  END
$$$$
Mol_6470
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.4369   -2.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3668   -0.7340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6293    0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0341   -0.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9640    1.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6313    2.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6313    1.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7014    2.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9640    2.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2265    1.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1564   -0.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8237   -0.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7535   -2.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0161   -3.2853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5611   -0.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7716   -0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  1  0
 16  4  1  0
 15  7  1  0
M  END
$$$$
Mol_6471
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
    3.6261    1.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2884    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3851   -0.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8538   -0.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6262   -1.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3251   -2.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0697   -1.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5158   -3.1993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5312   -1.4293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5079   -0.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9466    0.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9873    1.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5739    2.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1493    3.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6596    0.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8366    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16  4  1  0
 10  7  1  0
 15 10  1  0
M  END
$$$$
Mol_6472
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.9757    1.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3134   -0.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1478   -1.5108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -0.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2568   -1.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1802   -2.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4124   -1.3298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7177   -2.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7305   -3.5686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5117    0.1669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8156    0.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5132    2.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0225    2.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2809    3.8480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4035    1.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0778    0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16  4  1  0
 15 10  1  0
M  END
$$$$
Mol_6473
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -4.3750   -0.6303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3238    0.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7249    1.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8715    0.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4704   -1.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0182   -1.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3829   -3.2017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0330   -0.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4341   -2.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4853   -1.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5365    0.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1354    1.4538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6831    1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2820    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6319    0.7591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8204    1.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16  4  1  0
 15  8  1  0
M  END
$$$$
Mol_6474
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.4369   -2.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3668   -0.7340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6293    0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0341   -0.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9640    1.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6313    2.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6313    1.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7014    2.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9640    2.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2265    1.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1564   -0.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8237   -0.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7535   -2.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0161   -3.2853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5611   -0.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7716   -0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 12 15  1  0
 15 16  1  0
 16  4  1  0
 15  7  1  0
M  END
$$$$
Mol_6475
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.6199    2.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6889    1.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9780    2.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2868    1.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3066    0.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0175   -0.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0373   -2.0513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3461   -2.7841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7087    0.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5716   -1.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8914   -1.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6584   -0.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1522   -0.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2893   -1.7111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0150    1.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6459   -0.0803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6695    0.7734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
 12 17  1  0
  9  2  1  0
 17  9  1  0
M  END
$$$$
Mol_6476
     RDKit          2D

 28 28  0  0  0  0  0  0  0  0999 V2000
    4.6098    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3705    0.0000    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    4.6098   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0367   -1.4624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1015   -2.6351    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    3.5348   -3.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2135   -4.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.2860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.2860    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -0.2020   -4.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8496   -4.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1015   -2.6351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0367   -1.4624    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -3.7867   -2.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5199   -1.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3705    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0367    1.4624    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -4.5199    1.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7867    2.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1015    2.6351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.2860    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -1.8496    4.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2020    4.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.2860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1015    2.6351    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    2.2135    4.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5348    3.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0367    1.4624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 21 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
 28  2  1  0
M  END
$$$$
Mol_6477
     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -7.6091    1.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1133    1.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2677    0.4909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9179   -0.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4137   -0.9736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7720    0.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9264   -0.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4307   -0.5224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5851   -1.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2353   -3.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9106   -1.6486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5608   -0.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7153    0.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3654    2.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8612    2.4067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7068    1.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2025    1.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0481    0.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5438    0.1544    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3979   -1.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9022   -1.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0566   -0.1840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 21 22  2  0
 22 12  1  0
 22 16  1  0
M  END
$$$$
Mol_6478
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -1.0618   -3.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8273   -2.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9930   -1.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7585    0.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9243    1.3391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6897    2.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3582    0.9329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8076   -0.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2079    0.5266    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6083    1.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6703    1.9270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7456   -0.8737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5731   -1.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  4  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
  9 12  2  0
  8 13  2  0
 13  2  1  0
M  END
$$$$
Mol_6479
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2246   -3.2205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4499   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8468   -1.1911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0185   -2.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4154   -1.5813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6407   -0.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4691    0.8383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6944    2.3212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0721    0.2919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9005    1.2285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1258    2.7115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5035    0.6821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6681    1.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4428    3.1017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0651    1.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2904   -0.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6873   -0.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8590   -0.0204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2559   -0.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4276    0.3698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8245   -0.1766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1187   -1.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2782   -0.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
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 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 16 22  1  0
 22 23  2  0
 23  2  1  0
  9  3  1  0
 23 12  1  0
M  END
$$$$
Mol_6480
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
   -9.0933   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942    0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942    0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
M  END
$$$$
Mol_6481
     RDKit          2D

 24 24  0  0  0  0  0  0  0  0999 V2000
    4.1265    0.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8978    0.0000    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    4.1265   -0.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5095   -1.4489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4489   -2.5095    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    2.8084   -3.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3182   -4.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.8978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4489   -2.5095    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -1.3182   -4.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8084   -3.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5095   -1.4489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8978    0.0000    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -4.1265   -0.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1265    0.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5095    1.4489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4489    2.5095    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -2.8084    3.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3182    4.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4489    2.5095    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    1.3182    4.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8084    3.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5095    1.4489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
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 12 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
 16 17  1  0
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 17 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 21 24  1  0
 24  2  1  0
M  END
$$$$
Mol_6482
     RDKit          2D

 30 34  0  0  0  0  0  0  0  0999 V2000
    3.5118    1.8485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9658    0.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9028   -0.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3857   -0.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4399   -1.5613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7805   -0.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1776   -1.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3490   -0.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1233    0.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7262    1.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5548    0.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.8381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4829    0.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5460    1.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9369    1.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4829   -0.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9658   -0.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5118   -1.8485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9028    0.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3857    0.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4399    1.5613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7805    0.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1776    1.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3490    0.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1233   -0.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7262   -1.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5548   -0.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0747   -0.8381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5460   -1.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369   -1.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
  2 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
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 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 16 29  1  0
 29 30  2  0
 12  4  1  0
 30 13  1  0
 11  6  1  0
 28 20  1  0
 27 22  1  0
M  END
$$$$
Mol_6483
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -4.1550    0.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8913   -0.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9595   -1.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5596    0.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2960   -0.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0358    0.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2994   -0.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6312    0.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8948   -0.3895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
M  END
$$$$
Mol_6484
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
    6.7760    2.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5576    1.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1632    0.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448   -0.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5504   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3320   -2.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9376   -3.1911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3744   -0.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9800   -0.7760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1960    0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0224    1.6392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5904   -0.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7664    0.5335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1608   -0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3368    0.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7312    0.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9496   -1.1252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9072    1.2900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
M  END
$$$$
Mol_6485
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -2.0785    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7794    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
M  END
$$$$
Mol_6486
     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    3.6406    0.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4271    0.0000    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    3.6406   -0.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9635   -1.4266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -2.3083    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    1.9635   -3.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2865   -3.7348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9635   -1.4266    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -2.4271   -2.8532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4635   -1.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4271    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9635    1.4266    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -3.4635    1.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4271    2.8532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    2.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.3083    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    0.2865    3.7348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9635    3.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9635    1.4266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
 20  2  1  0
M  END
$$$$
Mol_6487
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -4.0351    0.7767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5456    0.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8777    2.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250   -0.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0922   -0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6090   -2.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5973   -3.5382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2273    0.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2726    0.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0404   -1.0321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5403   -1.0114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2723    0.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5045    1.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0046    1.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1256    1.4371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  8 15  1  0
 15  2  1  0
 14  9  1  0
M  END
$$$$
Mol_6488
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.5928    1.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6020    0.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0818   -1.2606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1313    0.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1404   -0.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3303   -0.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8101    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2808    1.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2717    0.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7424    0.5098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7919   -1.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3212   -1.5015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12  6  1  0
M  END
$$$$
Mol_6489
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -0.7733    2.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1732    1.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0638    0.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    1.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1433   -0.6775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5180   -0.0774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7251   -0.9679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0998   -0.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2675    1.1228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3069   -1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9543   -0.9940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4449   -0.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3354   -2.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0450    0.5484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  3 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
M  END
$$$$
Mol_6490
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
    2.3351    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9617    0.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0947   -0.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2277   -1.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3188   -1.2989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8707    0.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4922   -0.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7163    0.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0791    0.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3032    0.9160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2179   -1.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
M  END
$$$$
Mol_6491
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
    4.5735    0.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4312   -0.7044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0181   -0.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6050    0.3017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8081    0.8048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9504   -0.1675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3635    0.3356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5057   -0.6367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  3  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
M  END
$$$$
Mol_6492
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
    7.5855    0.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3070   -0.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9883    0.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7099   -0.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3912    0.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1127   -0.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2060    0.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4844   -0.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8031    0.1556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0816   -0.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4003    0.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6787   -0.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4405    1.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
M  END
$$$$
Mol_6493
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9  2  1  0
M  END
$$$$
Mol_6494
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
    5.0750   -1.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7464   -0.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4791   -1.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5404   -2.8222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1505   -0.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1168   -1.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0555   -2.9283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4454   -0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1417   -2.0619    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7491    0.5953    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7740   -0.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0777    1.2916    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4703   -1.3656    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1026    0.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4312    1.3556    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7989   -0.6693    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4063    1.9879    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5655    0.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6687   -0.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6851    0.9778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5820    1.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4789    3.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5984    3.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 14 17  1  0
  5 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 20  2  1  0
 21 18  1  0
M  END
$$$$
Mol_6495
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
    7.5855    0.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3070   -0.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9883    0.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7099   -0.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3912    0.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1127   -0.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2060    0.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4844   -0.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8031    0.1556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0816   -0.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4003    0.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6787   -0.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4405    1.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
M  END
$$$$
Mol_6496
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
    3.3799   -2.4361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3147   -0.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9843   -0.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7190   -1.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6114   -0.3576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8766   -1.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2070   -0.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7056   -0.5358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0127    0.7947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6766    1.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5886    1.9467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9191    1.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1843    2.0597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  5 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12  3  1  0
  9  7  1  0
M  END
$$$$
Mol_6497
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
    6.2482    0.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9759   -0.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6517    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3793   -0.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0551    0.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2172   -0.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5414    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8137   -0.6431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1379    0.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4102   -0.7330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1898    1.5606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
M  END
$$$$
Mol_6498
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
    5.2329    0.2468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0840   -0.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6744   -0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2648    0.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1449    0.8206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2937   -0.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7034    0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8523   -0.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2619   -0.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  3  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
M  END
$$$$
Mol_6499
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -2.5981   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.4500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
M  END
$$$$
Mol_6500
     RDKit          2D

 28 29  0  0  0  0  0  0  0  0999 V2000
    2.6455   -2.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3428   -1.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0400   -0.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5993   -2.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0862   -0.0732    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    0.7834    0.6703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5118   -0.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8146    0.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1099   -0.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4127    0.6441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7079   -0.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7004   -1.6124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0107    0.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3060   -0.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6088    0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9040   -0.1385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8297    1.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3297    1.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0731    2.5399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3166    3.8352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8166    3.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0731    2.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3890   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3965   -2.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993   -3.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9946   -2.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9870   -0.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6843   -0.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  2  3
 13 14  1  0
 14 15  1  0
 15 16  1  0
  5 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
  5 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 22 17  1  0
 28 23  1  0
M  END
$$$$
Mol_6501
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -4.5553    0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2359   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6388   -0.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6388    0.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9583   -0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2359    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5553   -0.2480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
M  END
$$$$
Mol_6502
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -4.0458    0.2755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6491    0.8225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4770   -0.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7016   -1.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0803    0.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0918   -0.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4885    0.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6606   -0.8914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7130    1.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
M  END
$$$$
Mol_6503
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
    0.9743   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9743   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2733   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6238   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9228    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3248    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9743    2.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
M  END
$$$$
Mol_6504
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -1.5041    2.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1858    1.3887    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -2.8675    0.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5219    2.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8496    0.7069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7720   -0.7910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5642   -1.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8226   -0.6565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7449    0.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0034    1.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3395    0.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4172   -0.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1588   -1.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0304   -1.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9528   -3.1053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3666   -0.9256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
  6 14  1  0
 14 15  2  0
 14 16  1  0
 13  8  1  0
M  END
$$$$
Mol_6505
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    5.0530    0.6404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7714   -0.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4556    0.5811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1740   -0.1983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   -1.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1418    0.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4234   -0.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7392    0.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208   -0.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3366    0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
M  END
$$$$
Mol_6506
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -2.8157    0.4537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7770   -0.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3205   -0.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8257   -1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1002   -0.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    1.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2456    1.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  3  1  0
M  END
$$$$
Mol_6507
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -3.6089   -0.0575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3153   -0.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0109   -0.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0002    1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2827   -0.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5871   -0.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3278   -1.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8464    1.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8914    0.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
M  END
$$$$
Mol_6508
     RDKit          2D

  8  9  0  0  0  0  0  0  0  0999 V2000
    2.5848    0.4434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1218    0.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5297   -1.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9640   -1.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0918   -0.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4997    1.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0060    1.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3251   -0.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  2  1  0
  8  4  1  0
M  END
$$$$
Mol_6509
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.5714    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0714   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1786   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9286    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1786    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
M  END
$$$$
Mol_6510
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -3.0851    0.4695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0677   -0.6327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6045   -0.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1586    1.1294    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3047    1.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3221    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8762   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4129   -1.4050    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
M  END
$$$$
Mol_6511
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -3.2866    0.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8014    0.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8768   -0.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6084   -0.4762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5330   -1.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1691    0.9151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6543    1.1251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
M  END
$$$$
Mol_6512
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.3914   -1.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7545    0.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2600    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4846    1.6173    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9762    1.2767    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1037   -0.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3878   -0.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7013   -0.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2783   -0.8009    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9  3  1  0
M  END
$$$$
Mol_6513
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -3.8971   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4286    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
M  END
$$$$
Mol_6514
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -5.8514   -0.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5393    0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2537   -0.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9416    0.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6560   -0.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6560    0.3635    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9416   -0.4094    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2537    0.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5393   -0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8514    0.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
M  END
$$$$
Mol_6515
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.5714    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0714   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1786   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9286    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1786    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
M  END
$$$$
Mol_6516
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -4.2718   -1.6317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6317   -1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6317    1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0583    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2718    1.6317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0583   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2718   -1.6317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6317   -1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6317    1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2718    1.6317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
  4 12  1  0
 12 13  1  0
 13 14  1  0
 13  2  1  0
 11  5  1  0
M  END
$$$$
Mol_6517
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -3.0851    0.4695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0677   -0.6327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6045   -0.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1586    1.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3047    1.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3221    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8762   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4129   -1.4050    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
M  END
$$$$
Mol_6518
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -4.2551   -0.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8948    0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6672   -0.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069    0.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207   -0.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2810   -0.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5085   -0.8766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    1.4796    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
M  END
$$$$
Mol_6519
     RDKit          2D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.9796   -0.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5994    0.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5994   -0.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9796    0.1365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
M  END
$$$$
Mol_6520
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -3.7389    0.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2867    0.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2354   -0.6548    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2168   -0.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3741   -1.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6393   -0.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2640    1.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7668    1.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  4  1  0
M  END
$$$$
Mol_6521
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -2.5981   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
M  END
$$$$
Mol_6522
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -3.8971   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4286    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3214    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.4286    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
M  END
$$$$
Mol_6523
     RDKit          2D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.9796   -0.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5994    0.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5994   -0.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9796    0.1365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
M  END
$$$$
Mol_6524
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.6401   -0.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135   -0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2774    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2774    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6401   -0.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.0309    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  2  1  0
M  END
$$$$
Mol_6525
     RDKit          2D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.9796   -0.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5994    0.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5994   -0.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9796    0.1365    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
M  END
$$$$
Mol_6526
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
    2.4131    1.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1247   -0.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7056   -0.9025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4249    0.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8439   -0.4029    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9745    0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
M  END
$$$$
Mol_6527
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -4.0853    1.0025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9049    0.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1163   -1.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5131    0.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3328   -0.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0590    0.2701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2394   -0.6555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6311   -0.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0229    0.4634    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  2  0
M  END
$$$$
Mol_6528
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
    3.2503    4.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2343    3.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7068    3.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 22  1  0
M  END
$$$$
Mol_6529
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
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  2  3  2  3
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M  END
$$$$
Mol_6530
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
    4.5223    0.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2791   -0.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6012    0.6161    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  2  0
M  END
$$$$
Mol_6531
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -4.3031   -2.8595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9279   -2.2606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0
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M  END
$$$$
Mol_6532
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -5.0777    0.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_6533
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.1063    1.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9890    0.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2971   -1.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5636    0.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4463   -0.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0
 11  7  2  0
M  END
$$$$
Mol_6534
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.8412   -0.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1918   -2.2938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0
 11 12  1  0
 12  8  2  0
M  END
$$$$
Mol_6535
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
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    3.4813    1.4686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 12  8  2  0
M  END
$$$$
Mol_6536
     RDKit          2D

 40 42  0  0  0  0  0  0  0  0999 V2000
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   -4.5252    4.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
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  7  9  1  0
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 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  3
 21 22  1  0
 21 23  1  0
 23 24  1  0
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 25 26  2  0
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  9 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
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 39 40  2  0
  8  3  1  0
 40 34  1  0
 31  6  1  0
M  END
$$$$
Mol_6537
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.8412   -0.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4777    0.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3374    1.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2545   -0.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8910    0.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3322   -0.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1918   -2.2938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6957   -0.1752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0029   -0.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1065    0.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4813    1.4686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9913    1.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12  8  2  0
M  END
$$$$
Mol_6538
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    3.8140   -0.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7519   -1.0778    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3035   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2414   -1.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8207   -2.8059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9173    0.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9794    1.8211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5311    1.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9173    2.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5932    0.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0415    0.4831    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1037   -0.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  3  0
  3  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
M  END
$$$$
Mol_6539
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
   -7.8064   -0.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4184    0.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2319   -0.8803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8439   -0.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6573   -1.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2693   -0.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8381    0.7275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7006   -2.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1187   -0.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3201    1.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7081    1.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9095    3.4498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2975    4.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7230    4.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3052   -1.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6932   -0.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8797   -1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6783   -2.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8648   -3.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  9 10  1  0
 10 11  1  0
 11 12  1  0
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 12 14  1  0
  9 15  1  0
 15 16  1  0
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 17 18  1  0
 17 19  1  0
 19 20  1  0
M  END
$$$$
Mol_6540
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -3.9336   -0.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5504    0.5397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3561   -0.3679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0270    0.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2213   -0.6950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6044   -0.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    0.4660    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  2  0
M  END
$$$$
Mol_6541
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.6042   -1.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3906   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0360   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9176    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0360    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3906    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6042    1.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  2  1  0
M  END
$$$$
Mol_6542
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -3.8971   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
M  END
$$$$
Mol_6543
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.2089    1.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1764    0.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6025   -1.3505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7178    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6853   -0.6503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7732   -0.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1993    1.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6579    1.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6904    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2643   -1.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8057   -1.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
M  END
$$$$
Mol_6544
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -2.5981   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
M  END
$$$$
Mol_6545
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -2.7865   -0.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6831    0.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2514    0.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8520    1.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2837    0.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0769   -1.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5086   -1.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  3  6  1  0
  6  7  1  0
M  END
$$$$
Mol_6546
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.7162    0.2919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6271   -0.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1893   -0.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8406    1.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4028    1.5743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6863    0.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1241    0.9703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2132   -0.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6510    0.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8645   -1.5200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3376   -0.9161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1002   -1.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
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  7  8  1  0
  8  9  1  0
  8 10  2  0
  6 11  1  0
 11 12  2  0
 12  3  1  0
M  END
$$$$
Mol_6547
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
    4.0209    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5588    0.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1177   -0.8477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6555   -1.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3655   -0.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8277   -0.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8487    0.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3109    0.3454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
M  END
$$$$
Mol_6548
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.0825   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0825   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3816   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2165   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5155   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8146   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5155    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2165    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0825    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3816    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0825    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
  9  4  1  0
M  END
$$$$
Mol_6549
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
    6.4893    1.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0923    0.9179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -0.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4697   -1.1112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2982   -0.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9012   -0.7206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2703    0.2162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6674   -0.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8929   -1.8129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.8045    0.4512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0
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M  END
$$$$
Mol_6550
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.9806    2.5409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0002    0.3226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9508   -1.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  1  0
 24 13  1  0
 22 17  1  0
M  END
$$$$
Mol_6551
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.0957   -2.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0504   -1.4403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5940    0.5944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9  2  1  0
M  END
$$$$
Mol_6552
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    3.1500   -2.4303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5633   -1.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0744   -0.8676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4878    0.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0011    0.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1833   -0.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4900    0.8773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3922   -0.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1939   -1.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2945   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4656    0.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9545   -0.0337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
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 15 16  1  0
 15  2  1  0
M  END
$$$$
Mol_6553
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -3.8971   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
M  END
$$$$
Mol_6554
     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
  -10.3923    0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0933   -0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942    0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952   -0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0933   -0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923    0.3529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 15 16  1  0
 16 17  1  0
M  END
$$$$
Mol_6555
     RDKit          2D

 34 36  0  0  0  0  0  0  0  0999 V2000
  -11.0798   -2.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2684   -0.8398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7702   -0.9117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9588    0.3499    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2204    1.1613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_6556
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
    4.0159   -0.7616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  5  1  0
M  END
$$$$
Mol_6557
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
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    6.0873    1.5642    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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M  END
$$$$
Mol_6558
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    1.9486   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6495    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6495    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9486    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  2  1  0
M  END
$$$$
Mol_6559
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -0.6429    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6429   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6429   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1429   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8571    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6071    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6071   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  5  7  1  0
M  END
$$$$
Mol_6560
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.4688   -1.6844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7848   -0.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5988    0.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2866   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5274   -1.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0255   -1.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7096   -0.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8956    1.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3975    1.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4166    2.3203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9  4  1  0
M  END
$$$$
Mol_6561
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
  -10.3231   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0174    0.4556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7251   -0.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4194    0.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1271   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8214    0.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5292   -0.3524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2235    0.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0688   -0.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3745    0.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6668   -0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9725    0.3395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2648   -0.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2514   -1.9220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    0.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8761    1.0547    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3088   -0.9894    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8321    1.6220    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 15 18  1  0
M  END
$$$$
Mol_6562
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.0000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10  4  1  0
M  END
$$$$
Mol_6563
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6841   -0.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1985   -0.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2761   -1.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2095   -1.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7727   -0.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4657   -1.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0510    1.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7439    0.3040    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.1497    1.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6353    0.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5576    2.0476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  5 10  1  0
 10 11  1  0
 11 12  1  0
 11  2  1  0
M  END
$$$$
Mol_6564
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    4.5272   -0.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2329   -0.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2425    1.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -0.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6349    0.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6689   -0.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9631    0.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7048    1.3364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4631    0.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7669   -0.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9  7  1  0
M  END
$$$$
Mol_6565
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -4.5606    0.8537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4098   -0.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6676   -1.5861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0012    0.4071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8504   -0.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582   -0.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8161    1.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3347    2.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2247    1.9536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3755    0.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1176   -0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7090   -1.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4613   -2.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5617   -1.9679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 12  6  1  0
M  END
$$$$
Mol_6566
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.9867    0.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1652   -0.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8413   -1.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6675   -0.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1540   -1.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6517   -1.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3278   -0.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8254   -0.0221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5062    1.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0086    1.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8129    2.3200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 10  4  1  0
M  END
$$$$
Mol_6567
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -5.3236   -0.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9044    0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7741   -0.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3550   -0.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0642    0.3271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4833    0.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6136   -0.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0328    0.3128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1631   -0.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  3  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
M  END
$$$$
Mol_6568
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -2.7865    0.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3548    0.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2514   -0.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5797   -1.7367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1803    0.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2837   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5086    1.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
M  END
$$$$
Mol_6569
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -5.8514    0.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5393   -0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2537    0.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9416   -0.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6560    0.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6560   -0.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9416    0.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2537   -0.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5393    0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8514   -0.2717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
M  END
$$$$
Mol_6570
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
    1.8583   -0.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7050    0.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5549   -1.4491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4942    1.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5249    2.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8633    1.8956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7521    0.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8968   -0.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3086   -0.0628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2172   -0.7450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1392   -2.2021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6055   -0.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
  7  2  1  0
 12  4  1  0
M  END
$$$$
Mol_6571
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
   -8.8452   -0.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5220    0.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2485   -0.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9253    0.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6519   -0.3791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3287    0.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0552   -0.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2680    0.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5414   -0.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8646    0.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1381   -0.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4613    0.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5110    1.5681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7347   -0.7238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0579   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
M  END
$$$$
Mol_6572
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -4.6002    0.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2854    1.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0028    0.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0349   -1.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7523   -2.0298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6879    0.9695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5947    0.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9096    0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1922    0.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5070    0.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1600   -1.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
M  END
$$$$
Mol_6573
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.1494    0.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6502    0.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8072    1.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    0.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8184    1.8209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6806   -0.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0385   -2.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1667   -0.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7307   -1.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9  2  1  0
M  END
$$$$
Mol_6574
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
    4.7764    1.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5164   -0.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1070   -0.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6977   -1.0603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2883   -1.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8611   -0.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0104    0.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4198   -0.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5692    0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7504    1.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3410    2.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0810    3.8219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0283   -3.0511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3811   -3.5646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  3  0
  4  5  1  0
  5  6  2  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
  5 13  1  0
 13 14  1  0
M  END
$$$$
Mol_6575
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -3.2699   -2.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7706   -2.3153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9802   -3.5902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0617   -0.9934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -0.9463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2279   -2.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7272   -2.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4361   -0.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6457    0.4227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3546    1.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1588    1.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7460    2.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5289    1.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7058    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1953    0.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0184    1.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8415    3.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5079    1.9089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1464    0.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
  9 19  1  0
 14  5  1  0
 19  5  1  0
 16 13  1  0
M  END
$$$$
Mol_6576
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -3.0096   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7105   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4115   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4115    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7105    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0096    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1866   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1508    1.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1508   -1.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  5  9  1  0
  9 10  1  0
  9 11  1  0
  7  2  1  0
  9  4  1  0
M  END
$$$$
Mol_6577
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    2.2893    1.9331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3802    0.7399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1076    0.9306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0166   -0.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5045   -0.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4135   -1.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833    1.3119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9590   -0.6439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -1.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4469   -0.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  2  8  1  0
  8  9  1  0
  8 10  1  0
M  END
$$$$
Mol_6578
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -1.8187   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5196    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5196    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7794   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0785   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
M  END
$$$$
Mol_6579
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
    8.1219    1.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7685    1.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6520   -0.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2987   -0.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0618   -0.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7084   -0.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4716    0.0734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1182   -0.5734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0017   -2.0689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1187    0.2752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4720   -0.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7089    0.4770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0623   -0.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2991    0.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6525    0.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8893    0.8806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
M  END
$$$$
Mol_6580
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -4.6765    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3775   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0785    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0785    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7794   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1177   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1177    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
M  END
$$$$
Mol_6581
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -3.8375    1.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3375    1.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5953   -0.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8988   -1.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8531   -1.5739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2918    0.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0027   -0.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    0.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6008   -0.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9043    0.4408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
M  END
$$$$
Mol_6582
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  4  2  1  1
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10  4  1  0
M  END
$$$$
Mol_6583
     RDKit          2D

  9 10  0  0  0  0  0  0  0  0999 V2000
   -2.6008   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7191   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2925   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0065   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3055   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3055    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0065    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2925    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7191    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9  1  1  0
  8  3  1  0
M  END
$$$$
Mol_6584
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.5714    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0714   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1786   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9286    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1786    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
M  END
$$$$
Mol_6585
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    1.9486   -1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6495   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6495   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9486   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9486    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6495    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6495    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9486    1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  2  1  0
M  END
$$$$
Mol_6586
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -1.5000    1.2990    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.2990    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.2990    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.2990    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  4  6  1  0
M  END
$$$$
Mol_6587
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.5714    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0714   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1786   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9286    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1786    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
M  END
$$$$
Mol_6588
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.5714    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0714   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1786   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9286    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1786    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
M  END
$$$$
Mol_6589
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -3.4956   -0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1207    0.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9525    1.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5776    2.1742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610   -0.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1402    0.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4561   -1.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6963   -2.6228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7685   -2.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9139   -0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1541    0.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3107    0.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4789    1.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8107    0.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 11  2  1  0
 11  6  1  0
 13  8  1  0
M  END
$$$$
Mol_6590
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
    1.5514   -1.9591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1510   -1.4217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0146   -2.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4151   -1.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6499   -0.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4843    0.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8209    1.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4059    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0429    2.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8600    1.2256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0258    0.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917   -0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9697    1.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0820   -0.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0838    0.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15  2  1  0
 15  6  1  0
 15 10  1  0
M  END
$$$$
Mol_6591
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
   -7.1347    0.8855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6448    1.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7495   -0.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2596    0.0290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3644   -1.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8744   -1.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0480    0.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7009   -2.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6155   -0.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2102    0.5497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7001    0.7232    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    2.5265    2.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8736   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1900    0.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0853   -0.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5752   -0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  1  0
M  END
$$$$
Mol_6592
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    5.9526    1.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5443    0.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2876   -0.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8794   -1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7279   -0.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3197   -0.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8319    0.2714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2401   -0.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4968   -1.7231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3916    0.7160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7998    0.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9514    1.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
M  END
$$$$
Mol_6593
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -3.8971   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  0
M  END
$$$$
Mol_6594
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
    5.4931    1.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0555    0.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7076   -0.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2700   -1.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1804   -0.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2572   -0.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3469    0.4613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7844    0.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1323   -1.4261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8741    1.0639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3117    0.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
M  END
$$$$
Mol_6595
     RDKit          2D

 32 34  0  0  0  0  0  0  0  0999 V2000
    7.5000   -4.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -3.0040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -1.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -1.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -0.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -0.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.7050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.8931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    3.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    4.7902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    4.7902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    3.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    2.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.8931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -0.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -1.7050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -0.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000    0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500   -0.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500   -0.4059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -1.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500   -3.0040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -4.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -1.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -0.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500   -0.4059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
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 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
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 25 28  2  0
  5 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 31  3  1  0
 15 10  1  0
 28 20  1  0
M  END
$$$$
Mol_6596
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6841   -0.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1985   -0.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2761   -1.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2095   -1.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7727   -0.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4657   -1.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0510    1.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7439    0.3040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1497    1.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6353    0.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5576    2.0476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  5 10  1  0
 10 11  2  0
 11 12  1  0
 11  2  1  0
M  END
$$$$
Mol_6597
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
    6.9587   -1.4079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6073   -0.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3679   -1.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0165   -0.9512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9044    0.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5529    1.1955    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2038    2.5469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9021   -0.1560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2015    1.8463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0379    1.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3893    1.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6287    0.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9801    1.4580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2195    0.6131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1074   -0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7560   -1.5336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5166   -0.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9258   -0.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4257   -1.1453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1652   -1.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0531   -2.8353    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1437    1.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4952    0.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  2  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 10 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
  5 22  1  0
 22 23  2  0
 23  2  1  0
 17 12  1  0
M  END
$$$$
Mol_6598
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
    5.5533   -0.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0570    0.0776    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1618    1.5739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9522   -1.4188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5607    0.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7217   -1.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2254   -0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4320    0.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9283    0.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5857    1.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0821    1.9499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9210    0.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2636   -0.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7673   -0.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1099   -2.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4525   -3.4432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4069    1.6354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9033    1.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  3  0
  8 17  1  0
 17 18  2  0
 18  5  1  0
 14  9  1  0
M  END
$$$$
Mol_6599
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.0000    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  1  0
  4  5  3  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  3 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 11  6  1  0
 17 12  1  0
M  END
$$$$
Mol_6600
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
    3.2481   -0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8868   -0.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5255    0.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3905    1.8642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7007   -0.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0620    0.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2882   -0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
M  END
$$$$
Mol_6601
     RDKit          2D

  4  3  0  0  0  0  0  0  0  0999 V2000
    1.9796   -0.1365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5994    0.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5994   -0.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9796    0.1365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
M  END
$$$$
Mol_6602
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -5.1962   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
M  END
$$$$
Mol_6603
     RDKit          2D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.9796   -0.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5994    0.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5994   -0.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9796    0.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
M  END
$$$$
Mol_6604
     RDKit          2D

  5  5  0  0  0  0  0  0  0  0999 V2000
    1.2760   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    1.2135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943   -1.2135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  1  2  0
M  END
$$$$
Mol_6605
     RDKit          2D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.9796   -0.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5994    0.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5994   -0.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9796    0.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
M  END
$$$$
Mol_6606
     RDKit          2D

  6  7  0  0  0  0  0  0  0  0999 V2000
    1.6645   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7829    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6437    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9428    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6437   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7829   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  5  3  1  0
M  END
$$$$
Mol_6607
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -5.9076   -0.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5307    0.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3268   -0.4946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7461   -0.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6308   -0.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8038    1.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1806    1.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3845    0.9913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2115   -0.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4154   -1.3935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8346   -1.0939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12  6  1  0
M  END
$$$$
Mol_6608
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.3474    0.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9747   -0.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7197   -1.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    1.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    1.3280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4523   -0.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8807   -0.5548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2422   -0.9831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  2  1  0
M  END
$$$$
Mol_6609
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.6042   -1.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3906   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0360   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9176    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0360    1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3906    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6042    1.6317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  2  1  0
M  END
$$$$
Mol_6610
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.2975   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5475   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2975    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0475   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8342    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2608    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2608   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8342   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  4  2  0
M  END
$$$$
Mol_6611
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.7985   -0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3812    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0977    1.4730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2473   -0.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1701   -0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4536    0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8709    1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0048    0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7213   -0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3040   -1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
M  END
$$$$
Mol_6612
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1302    1.4361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2127    0.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7816   -1.1384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7262    0.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8087   -0.7359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6777   -0.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7143   -1.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0657   -0.9681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8645    0.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9487    1.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3886    0.7863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11  6  1  0
M  END
$$$$
Mol_6613
     RDKit          2D

 10 12  0  0  0  0  0  0  0  0999 V2000
    2.3058    0.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1194    0.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1752   -1.4348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7743    1.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2805    0.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0940   -0.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2574   -1.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1455    0.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6214    0.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250    1.4767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  7  2  1  0
 10  4  1  0
  8  6  1  0
M  END
$$$$
Mol_6614
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    2.6973    2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8640    0.9194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5276   -0.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0244   -0.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8576    0.7235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6879   -1.8690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3672    1.0174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4660   -0.2299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1975   -1.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9628   -0.1319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7961   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2928   -1.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9564    0.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1232    1.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6264    1.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  2  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
M  END
$$$$
Mol_6615
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.5988    0.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7848   -0.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4688   -1.6844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2866   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5274   -1.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0255   -1.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7096   -0.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8956    1.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3975    1.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4166    2.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9  4  1  0
M  END
$$$$
Mol_6616
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -4.5606    0.8537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4098   -0.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6676   -1.5861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0012    0.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8504   -0.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582   -0.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8161    1.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3347    2.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2247    1.9536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3755    0.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1176   -0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7090   -1.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4613   -2.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5617   -1.9679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 12  6  1  0
M  END
$$$$
Mol_6617
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
    4.8948    0.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6312   -0.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2994    0.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0358   -0.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2960    0.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5596   -0.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8913    0.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1550   -0.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9595    1.5338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  1  0
  7  9  2  0
M  END
$$$$
Mol_6618
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.8901   -3.2266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0131   -2.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4304   -2.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7983   -1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4506   -0.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0821    1.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3224    1.8463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8651    1.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3692    1.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7057    0.7231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8567   -0.7693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3491   -0.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1981    0.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0471    2.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6905    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5675   -0.1919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 11  2  1  0
 13 10  1  0
M  END
$$$$
Mol_6619
     RDKit          2D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -1.2990   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
M  END
$$$$
Mol_6620
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
    3.7230    0.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4696   -0.5140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1293    0.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1241   -0.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4644    0.0089    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1378   -1.3314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7909    1.3492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8047    0.6823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  2  0
  5  8  1  0
M  END
$$$$
Mol_6621
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    5.9297   -1.4946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4339   -1.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7827   -0.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2868    0.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6356    1.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1398    1.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0998    2.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2115    0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0561   -0.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5520   -0.2362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3966   -1.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8924   -1.3642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
  8  6  1  0
M  END
$$$$
Mol_6622
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -2.9274    0.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6736   -0.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7598   -1.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3336    0.6631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9202   -0.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2602    0.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5140   -0.3095    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
M  END
$$$$
Mol_6623
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -0.1667    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5833    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0833    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1667    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6667    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1667    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5833   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1667   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0833   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  3  0
  4  7  2  3
  7  8  1  0
  7  9  1  0
M  CHG  2   5   1   9  -1
M  END
$$$$
Mol_6624
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
M  END
$$$$
Mol_6625
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
    4.7307    5.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4767    4.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7227    2.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4686    1.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9686    1.4013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7146    0.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4606   -1.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7066   -2.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2066   -2.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4526   -3.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9527   -3.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2067   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2933   -2.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0393   -1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5393   -1.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2853    0.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7853    0.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5313    1.4429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0313    1.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7853    0.1508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7773    2.7489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
M  END
$$$$
Mol_6626
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -2.7536    0.5280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4397   -0.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4095   -1.6954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1560    0.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1862    2.0800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1578   -0.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8815    1.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4341   -1.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4717   -0.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
M  END
$$$$
Mol_6627
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -3.2624   -0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9270    0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6677   -0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6677    0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270   -0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2624    0.2097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
M  END
$$$$
Mol_6628
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    4.3331   -0.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2107    0.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0882    1.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2057    1.3499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2156   -0.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7460   -0.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4455   -2.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0465    0.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7236   -0.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7186   -1.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1882   -1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6628    0.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1323    0.6075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6677    1.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1981    1.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15  9  1  0
M  END
$$$$
Mol_6629
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -6.4952    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.3750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    1.8750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
M  END
$$$$
Mol_6630
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
   -2.8789   -3.2287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9683   -2.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5452   -0.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0328   -0.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9434   -1.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5144   -3.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7488   -3.9409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9408   -3.0302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4430   -1.6152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2952   -0.3808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6345    0.5398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1470    0.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4299   -1.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7637    1.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1868    2.9237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3008    3.1164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8777    4.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3653    4.6937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2759    3.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6990    2.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6097    0.9252    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2115    1.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2513    1.3464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8282   -0.0383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9175   -1.2302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157   -0.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0342   -1.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5085   -1.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7005   -2.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0851   -1.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2778   -0.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0858    0.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7012    0.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3460    0.8593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  3 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 14 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
  9  5  1  0
 22 16  1  0
 34 26  1  0
 33 28  1  0
M  END
$$$$
Mol_6631
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -3.2045    0.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7608   -0.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3916   -1.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6863    0.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7573    0.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3501   -0.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1645    1.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2010    0.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5702   -1.3248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  8  9  1  0
M  END
$$$$
Mol_6632
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -8.8160    0.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4307    0.7825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2399   -0.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8546    0.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6637   -0.4664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2784    0.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0876   -0.8033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2977   -0.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4885   -1.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8739   -0.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0683    0.9225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4536    1.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6445    0.5856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0298    1.1609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4500   -0.9017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0647   -1.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
M  END
$$$$
Mol_6633
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -3.2624    0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9270   -0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6677    0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6677   -0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270    0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2624   -0.2097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
M  END
$$$$
Mol_6634
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -5.5922   -0.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2382    0.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0022   -0.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6482    0.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4122   -0.7198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9418   -0.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0598    1.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    2.0666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1779   -0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5319   -0.2786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7679   -1.1285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
M  END
$$$$
Mol_6635
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -4.0126   -0.8225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5313   -1.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5863    0.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1227    1.5073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1050   -0.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8400    1.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3213    0.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8577   -0.6013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3390   -0.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
M  END
$$$$
Mol_6636
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
   -9.8153   -0.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5144    0.6048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2173   -0.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2211   -1.6485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9164    0.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6192   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3183    0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0211   -0.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7202    0.5851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5769   -0.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8779    0.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750   -0.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4759    0.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7731   -0.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0740    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3711   -0.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6721    0.5590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3674   -1.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
M  END
$$$$
Mol_6637
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.9745   -0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8439    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4249   -0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7056    0.9025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1247    0.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4131   -1.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
M  END
$$$$
Mol_6638
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -3.8599    1.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2692    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6784   -1.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6479   -0.5783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8904    0.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6894   -0.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6894    0.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8904   -0.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2692   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8599   -1.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6784    1.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6479    0.5783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
M  END
$$$$
Mol_6639
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.2566    0.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0838    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2566   -0.9352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4330    1.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0294    1.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2021    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2021   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0294   -1.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4330   -1.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  2  1  0
M  END
$$$$
Mol_6640
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -4.4775    0.8334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9802    0.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1539    1.9956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3092   -0.5978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8119   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1408    0.4711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5371   -0.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2280    1.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7265    1.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4205    2.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7890   -0.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4474   -1.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0043   -1.9516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5523   -3.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  7 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13  5  1  0
 12  7  1  0
M  END
$$$$
Mol_6641
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -3.2267    1.7889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8709    1.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7489   -0.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9826   -1.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3384   -0.5594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3932   -0.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8406   -0.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1963   -0.7784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4300    0.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7858   -0.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3080    1.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  3  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
M  END
$$$$
Mol_6642
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    4.7612   -0.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5223    0.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1705    0.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0577   -1.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9316    0.9455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4202    0.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6888   -1.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1753   -1.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4958   -0.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2273    0.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7408    1.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0293    2.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0906   -0.3449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3385    0.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0864   -1.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 11  6  1  0
 13  8  1  0
M  END
$$$$
Mol_6643
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
    4.1710   -1.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7230   -1.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6598   -2.2754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3383    0.2325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8903    0.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1729   -0.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -0.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6840   -1.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1320   -0.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2993   -2.5501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0056    1.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9424    2.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5056    2.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5688    3.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  7 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13  5  1  0
M  END
$$$$
Mol_6644
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
    5.8500   -2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8853   -1.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4082   -1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4436   -0.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9665   -1.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0019    0.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4752   -0.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9877   -1.5468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4648   -1.8078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4295   -0.6591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9170    0.7506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8816    1.8993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3691    3.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8920    3.5701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3587    1.6383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3233    2.7870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8712    0.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3483   -0.0325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9066   -0.9201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4191   -2.3299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0231   -2.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5356   -4.1052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4540   -2.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9561    0.6461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4332    0.9071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9457    2.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4228    2.5779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9353    3.9876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3875    1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8750    0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8396   -1.1293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3978   -0.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
  8 21  1  0
 21 22  1  0
 21 23  2  0
  4 24  1  0
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 25 26  2  0
 26 27  1  0
 27 28  1  0
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 29 30  1  0
 30 31  1  0
 30 32  2  0
 32  2  1  0
 23  5  1  0
 32 25  1  0
 19 10  1  0
M  END
$$$$
Mol_6645
     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
   -6.2964   -0.5420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9975    0.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1211    1.9218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5751    1.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4516    0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0291    0.8864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9056   -0.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2045   -1.5773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5168    0.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6404   -0.6251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0628   -0.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3617    1.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7841    1.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9077    0.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    1.2793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6088   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7323   -1.6605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1864   -1.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7505   -1.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6269   -2.0535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1729   -1.5358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
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 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
  5 19  1  0
 19 20  2  0
 19 21  1  0
 18 11  1  0
M  END
$$$$
Mol_6646
     RDKit          2D

 44 45  0  0  0  0  0  0  0  0999 V2000
   11.1820   -1.9429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4326   -1.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3406    0.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9980    1.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7474    0.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4049    0.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3129    2.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1543    0.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8117    0.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5611   -0.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2185    0.5734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1265    2.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9679   -0.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6253    0.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9679    0.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2185   -0.5734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1265   -2.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.8117   -0.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_6647
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 20  2  1  0
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M  END
$$$$
Mol_6648
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.5932   -2.5282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9  4  1  0
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M  END
$$$$
Mol_6649
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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   10.0779   -2.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  9  1  0
M  END
$$$$
Mol_6650
     RDKit          2D

 24 23  0  0  0  0  0  0  0  0999 V2000
  -14.7262    0.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_6651
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6652
     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 22 15  1  0
M  END
$$$$
Mol_6653
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -4.7796   -1.4846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4515   -2.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3914   -3.6807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1836   -1.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2438    0.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5719    0.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6320    2.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3641    3.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0360    2.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9759    0.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3522    0.2226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6201    1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9482    0.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0083   -1.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3364   -1.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6043   -1.0677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5442    0.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2161    1.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 10  5  1  0
 18 13  1  0
M  END
$$$$
Mol_6654
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.7298   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9798   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5202   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2702   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4193   -0.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4193    0.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5202    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9798    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7298    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7298    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10  2  1  0
M  END
$$$$
Mol_6655
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    3.3354    1.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8480   -0.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3758   -0.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0886    1.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6630   -1.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0965   -0.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0813    0.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5536    0.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0410   -1.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5384    1.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  0
  8 10  1  0
M  END
$$$$
Mol_6656
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.5337   -4.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3267   -2.3580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1741   -1.6537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7675   -0.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1592   -0.7696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1215    0.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6181    0.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3246    1.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8843    3.0435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8698    1.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1467    2.6008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3491    2.4891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8397    1.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6679    3.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8659    2.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3856    0.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0621   -0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9980   -1.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5943   -1.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8876    0.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8724   -1.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7377   -2.1993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4923   -0.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1859   -1.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6816    0.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 18 24  1  0
 24 25  1  0
 24 26  1  0
 11  5  1  0
 24 17  1  0
 22  5  1  0
M  END
$$$$
Mol_6657
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
    3.7432    1.4780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3648    0.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1879   -0.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3895   -1.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8095   -1.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3920   -0.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2151    1.1928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7704   -0.8883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9720    0.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3504   -0.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7951    1.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
M  END
$$$$
Mol_6658
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
    3.7432    1.4780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3648    0.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1879   -0.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3895   -1.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8095   -1.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3920   -0.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2151    1.1928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7704   -0.8883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9720    0.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3504   -0.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7951    1.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
M  END
$$$$
Mol_6659
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    4.4549    1.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5459   -0.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0581    0.1293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1492   -1.0639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3387   -0.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2476   -2.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9176    0.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4055    0.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9844    2.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3144   -0.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  1  6
  5  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
M  END
$$$$
Mol_6660
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -2.3243   -2.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9330   -2.3152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7229   -0.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9041    0.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6940    1.5798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8752    2.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3028    2.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8784    1.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2697    1.7765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4509    0.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6683   -0.2693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8495   -1.1939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6395   -2.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  2  0
 11 12  1  0
 12 13  1  0
 11  3  1  0
M  END
$$$$
Mol_6661
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -1.9808    2.4819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5796    1.0365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6307   -0.0336    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7008    1.0175    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6818   -1.1037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1341   -0.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5605   -1.0847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1152   -0.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2600    0.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7054    1.1701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7755    0.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    0.5202    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5960    1.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4003   -1.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4704   -2.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9550   -1.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  3  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  2  0
 16  8  1  0
M  END
$$$$
Mol_6662
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -4.5553    0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2359   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6388   -0.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6388    0.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9583   -0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2359    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5553   -0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
M  END
$$$$
Mol_6663
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
   -8.3427    0.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8518    0.5506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2488    1.9241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9638   -0.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4728   -0.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5848   -1.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0939   -1.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2059   -2.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4909   -0.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6029    1.3735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0939    1.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6968    2.9115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9819    0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4728    0.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3608   -0.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8518   -0.5506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7398   -1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4547    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
M  END
$$$$
Mol_6664
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.5714    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0714   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1786   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9286    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1786    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
M  END
$$$$
Mol_6665
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
    9.1408    2.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6705    2.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1923    1.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7220    0.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2439   -0.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7735   -1.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2954   -2.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250   -2.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8328   -1.5989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375   -1.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6297   -0.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1001   -1.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0923    0.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5626   -0.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5548    0.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0767    2.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0252    0.5888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0174    1.7137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
M  END
$$$$
Mol_6666
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
    7.0538    1.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0814    0.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6061    0.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6338   -0.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1585   -0.4666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1862   -1.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2892   -1.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7922    0.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2675    0.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9155    1.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4023    1.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6733    0.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0261   -0.6224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3539   -0.6880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14  9  1  0
M  END
$$$$
Mol_6667
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
    4.8462   -0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3462   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5962   -1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0962   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3462   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1538   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9038    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4038    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4038   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9038   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0962    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5962    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  5 12  1  0
 12 13  2  0
 13  2  1  0
 11  6  1  0
M  END
$$$$
Mol_6668
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -4.5553   -0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2359    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   -0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6388    0.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6388   -0.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9583    0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2359   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5553    0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
M  END
$$$$
Mol_6669
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.6904   -1.7468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4291   -0.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0309   -1.4781    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9178   -0.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4154   -0.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9130   -0.4854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1059    0.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6492    2.3432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3445    0.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5064    1.5114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  3  0
  4  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9  2  2  0
M  ISO  5   1   2   5  13   6  15   8   2  10   2
M  END
$$$$
Mol_6670
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -5.6403   -1.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7637   -0.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2713   -0.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3948    0.7163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9023    0.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0258    1.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    1.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0825    0.2648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5750    0.1142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1908   -1.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6833   -1.4040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
M  END
$$$$
Mol_6671
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
    3.2094    0.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0093   -0.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6299    0.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5702   -0.6981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9495   -0.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3289    0.4809    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  2  0
M  END
$$$$
Mol_6672
     RDKit          2D

 24 24  0  0  0  0  0  0  0  0999 V2000
   -5.5737   -1.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0992   -1.3711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6004    0.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1259    0.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6271    1.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6028    2.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0773    2.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0530    3.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1526    2.0088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8231    0.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3243   -0.5451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2976    1.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7964    2.5595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2710    2.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2467    1.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7479    0.2809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2733    0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7745   -1.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7502   -2.5484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -1.6844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8012   -3.0991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6733   -3.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1721   -4.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6490   -2.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 17 12  1  0
M  END
$$$$
Mol_6673
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
    4.5289    1.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1017    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7881   -0.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3609   -1.2284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2474   -0.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1797   -0.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2932    0.3199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7203   -0.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8338    0.8632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
M  END
$$$$
Mol_6674
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    5.8062    1.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -0.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1153   -0.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9764    0.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5616   -0.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4227    0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9921   -0.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1310    0.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458    0.4731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6847    1.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8219   -1.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2368   -1.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
M  END
$$$$
Mol_6675
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -6.1400    0.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6798    0.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6525   -0.3449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1923   -0.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1651   -1.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2952   -0.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3224   -1.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7282    0.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1884    1.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6214    2.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2156   -0.0657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6759    0.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7826   -1.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
M  END
$$$$
Mol_6676
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
    4.5223    0.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2791   -0.3332    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9306    0.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6874   -0.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6611    0.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9043   -0.6978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2527   -0.0409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6012    0.6161    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  2  0
M  END
$$$$
Mol_6677
     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
  -10.3716    0.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1507   -0.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7856    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5647   -0.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1995    0.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9787   -0.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6135   -0.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3927   -0.9059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0275   -0.2844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1934   -1.1559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5585   -0.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029    0.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4820    1.8302    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0680    1.5802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2124    3.0733    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2889    0.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6541    1.3302    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1446   -0.7843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3654   -1.6558    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7794   -1.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6351   -2.8989    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 20 11  1  0
M  END
$$$$
Mol_6678
     RDKit          2D

 26 26  0  0  0  0  0  0  0  0999 V2000
   -5.9384   -5.3836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6942   -4.5459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7975   -3.0494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5533   -2.2117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6567   -0.7153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4124    0.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0648   -0.5362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5158    1.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8634    2.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9668    3.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7225    4.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3749    3.9531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2715    2.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0761    1.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1795    0.3015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3204    2.6357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6680    1.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9123    2.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2599    2.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7714    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1190   -0.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2224   -1.6745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5701   -2.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6734   -3.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9782   -2.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0815   -4.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 22 25  1  0
 25 26  1  0
 13  8  1  0
M  END
$$$$
Mol_6679
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    5.8038    0.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5864   -0.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2187    0.4497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0014   -0.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6337    0.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5836   -0.6869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4334   -2.1794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9513   -0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1687   -0.9472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5363   -0.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1015    1.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4692    2.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
M  END
$$$$
Mol_6680
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -5.2193   -0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8657    0.5532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6292   -0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2756    0.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0390   -0.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3146    0.1479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5512   -0.7011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9047   -0.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2583    0.5916    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  2  0
M  END
$$$$
Mol_6681
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -4.3306    0.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9799    0.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7396   -0.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8501   -1.5346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3889    0.6136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8514   -0.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2021    0.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4424   -0.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7932    0.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
M  END
$$$$
Mol_6682
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    3.6073    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2954    1.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    2.6807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1147    3.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3771    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8037    3.1240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9184    2.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5285    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5285   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9184   -2.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8037   -3.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3771   -3.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1147   -3.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138   -2.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2954   -1.4672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15  1  1  0
M  END
$$$$
Mol_6683
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.5837   -0.5153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0855   -0.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2743   -1.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7760   -1.6337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0889   -0.3004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4094   -0.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3480   -1.3988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7508   -0.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0051   -1.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3447   -1.0155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6792    0.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8493    1.5692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2321    1.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7010    2.4283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9001    0.9614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2129    2.2947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3983    0.8897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
  5 15  1  0
 15 16  2  0
 15 17  1  0
 17  2  1  0
 13  6  1  0
M  END
$$$$
Mol_6684
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -4.7658   -0.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5146    0.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6055    1.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1725   -0.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4208   -0.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6720    0.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0141   -0.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2653    0.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6074   -0.1857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
M  END
$$$$
Mol_6685
     RDKit          2D

 38 39  0  0  0  0  0  0  0  0999 V2000
    9.8012   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8012    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3141    2.1687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3928    3.3524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1370    4.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6829    4.5411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8144    3.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7108    2.7988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9969    1.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8144    3.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7108    2.7988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9969    1.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9969   -1.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7108   -2.7988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8144   -3.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1881   -4.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6829   -4.5411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1370   -4.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3928   -3.3524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3141   -2.1687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 11 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38  1  1  0
 30 12  1  0
M  END
$$$$
Mol_6686
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    3.4109   -1.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2685   -0.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4905    0.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8549    0.1816    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    0.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6822   -0.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6822    0.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9042   -0.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2685    0.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4109    1.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4905   -0.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8549   -0.1816    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
M  END
$$$$
Mol_6687
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -3.6471   -0.0594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1505    0.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4894    1.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3249    2.6335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0072    1.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8428    0.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3394    0.3434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8360    0.4441    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4401   -1.1532    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2387    1.8400    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1817   -1.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0172   -2.3495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3150   -1.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9761   -2.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
  6 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 13  2  1  0
M  END
$$$$
Mol_6688
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -3.1731   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4231    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1731    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9231    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9231   -1.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9231    1.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5769   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5769    1.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5769   -1.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0769   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5769   -0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0769   -1.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0769    1.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  4  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  1  0
M  END
$$$$
Mol_6689
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.8909    0.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5299   -0.2473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3032    0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9423   -0.0148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7156    0.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3546    0.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9937   -0.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6327   -1.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4060   -0.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0451   -0.8111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1816    0.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5426   -0.5785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7693    0.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1302   -0.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3569    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7179   -0.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9446    0.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3055    0.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4398   -1.3749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5322    0.9824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8932    0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  3  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
M  END
$$$$
Mol_6690
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
    8.8748    2.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7383    1.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3764    0.6228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2398   -0.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8779   -1.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6525   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2906   -1.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0652   -0.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7033   -1.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5220   -0.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8840   -0.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1093    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4713   -0.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6966    0.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0585   -0.3171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2839    0.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6458   -0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1474    2.0418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
M  END
$$$$
Mol_6691
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -4.7932   -0.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4424    0.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2021   -0.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8514    0.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3889   -0.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7396    0.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8501    1.5346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9799   -0.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3306   -0.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
M  END
$$$$
Mol_6692
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -4.4360    0.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9431    0.9244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0704   -0.2955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6905   -1.6614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5775   -0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4316   -1.6425    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7234    1.3432    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9154   -0.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7695    1.4891    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0613   -1.4967    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4083    0.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9012    0.2880    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -1.3508    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2624    1.6350    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
M  END
$$$$
Mol_6693
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.8717    0.0338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4069    0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3946   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9299   -0.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4773    1.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9874    1.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4400    2.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9997    0.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4645    0.5426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5472   -1.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5594   -2.3176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0824   -1.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
 12  4  1  0
M  END
$$$$
Mol_6694
     RDKit          2D

  6  6  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
M  END
$$$$
Mol_6695
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -2.6401   -0.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135   -0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6401   -0.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2774    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2774    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  2  2  0
M  END
$$$$
Mol_6696
     RDKit          2D

  6  6  0  0  0  0  0  0  0  0999 V2000
    2.3133   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8133   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0684    1.2135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4949    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4949   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0684   -1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  2  1  0
M  END
$$$$
Mol_6697
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.0751    0.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0665   -0.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6007    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1434    1.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3224    1.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3310    0.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8737   -0.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4079   -1.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0493   -2.5216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8  3  1  0
M  END
$$$$
Mol_6698
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.6401   -0.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135   -0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6401   -0.6127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  2  1  0
M  END
$$$$
Mol_6699
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
    3.0208    0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7693   -0.5852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4275    0.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3994    1.3367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0698   -0.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2408   -1.4954    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5077    0.4220    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  5  3  1  0
M  END
$$$$
Mol_6700
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -4.6206   -0.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3119    0.6262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0227   -0.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7141    0.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5751   -0.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5558   -1.6740    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8838    0.5590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1730   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4816    0.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
M  END
$$$$
Mol_6701
     RDKit          2D

  6  6  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
M  END
$$$$
Mol_6702
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -2.0785    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7794   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
M  END
$$$$
Mol_6703
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.6931   -0.9264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2325   -0.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2064   -1.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2542   -1.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6886    0.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1492    0.4401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    1.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7981    0.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8243    1.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  8  2  1  0
M  END
$$$$
Mol_6704
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.2824   -1.4145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0795   -0.5184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2541    0.9714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0513    1.8676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3263    1.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5291    2.1701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5009   -0.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8784   -0.8095    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0813    0.0866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0531   -2.2993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7020   -1.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  7 11  2  0
 11  2  1  0
M  CHG  2   8   1  10  -1
M  END
$$$$
Mol_6705
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -2.0785    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7794    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196   -1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
M  END
$$$$
Mol_6706
     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -4.6059   -2.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2864   -1.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9337   -2.1508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8991   -1.0647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6003   -1.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3136   -2.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8130   -2.4682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5991   -1.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0985   -1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8846    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3840    0.0028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1713    1.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6719    1.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8858    0.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1724    1.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3864    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1131    0.2128    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6730    1.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4591    2.7679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8264    1.5324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3026    1.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0878   -0.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3842    1.4546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5873    0.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3734   -1.2513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3006    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8000    1.3878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 23  2  1  0
 21  4  1  0
 16  5  1  0
 14  8  1  0
M  END
$$$$
Mol_6707
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -3.2866    0.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8014    0.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8768   -0.6863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6084   -0.4762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5330   -1.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1691    0.9151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6543    1.1251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
M  END
$$$$
Mol_6708
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -5.4455    1.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3305    0.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6420   -1.4078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9040    0.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7891   -0.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3626   -0.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7523   -1.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1788   -0.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3925   -1.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6059   -0.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1420    0.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6420    0.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7601    2.0842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12  8  1  0
M  END
$$$$
Mol_6709
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
   10.6617    2.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1642    2.6131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4906    1.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9931    1.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3195   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8220   -0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1484   -1.5813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6510   -1.6681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9774   -3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4799   -3.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3440   -1.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8415   -1.9284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6654   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1629   -0.7617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9868    0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4843    0.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3082    1.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8057    1.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4793    0.2314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6296    2.8251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
M  END
$$$$
Mol_6710
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
   -8.3427   -0.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8518   -0.5506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2488   -1.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9638    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4728    0.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5848    1.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0939    1.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2059    2.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4909    0.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6029   -1.3735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0939   -1.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6968   -2.9115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9819   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4728   -0.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3608    0.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8518    0.5506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7398    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4547   -0.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
M  END
$$$$
Mol_6711
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -8.2697   -0.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9462    0.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6731   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3496    0.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0765   -0.3790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7530    0.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4799   -0.4663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8436    0.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -0.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4402    0.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7133   -0.6409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0368    0.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3099   -0.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0873    1.5642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
M  END
$$$$
Mol_6712
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
    4.3157    2.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4827    1.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1465    0.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6433    0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3134   -1.0532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8166   -0.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9836   -2.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5132   -2.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1770   -0.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6738   -0.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3376    0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8344    0.7805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4982    2.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6674   -0.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
M  END
$$$$
Mol_6713
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -1.9613   -3.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0170   -1.5459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2624   -0.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8522    0.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3532    0.7886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1733    1.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2177    2.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7883    2.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2067    0.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2783    0.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8370   -0.6198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0891   -1.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5740   -1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1328   -0.1956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6177    0.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5439   -1.1634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 11  2  1  0
 11  5  1  0
 14  9  1  0
M  END
$$$$
Mol_6714
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -1.4944    1.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9337    0.0239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3731   -1.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250   -0.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4575    0.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6387   -0.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0300    0.2207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
M  CHG  1   2   1
M  END
$$$$
Mol_6715
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.0751    0.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0665   -0.3011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6007    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1434    1.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3224    1.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3310    0.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8737   -0.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4079   -1.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0493   -2.5216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8  3  1  0
M  END
$$$$
Mol_6716
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
  -12.2170    0.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9049   -0.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6193    0.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3072   -0.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0217    0.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7096   -0.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4240    0.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1119   -0.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8263    0.4178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5142   -0.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7714    0.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0834   -0.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3690    0.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6811   -0.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667    0.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788   -0.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5644    0.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8764   -0.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9029   -1.6253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1620    0.6473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
M  END
$$$$
Mol_6717
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
    2.2678   -1.4730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9843   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1182    0.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5669    0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5669   -0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9843    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2678    1.4730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1182   -0.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
M  END
$$$$
Mol_6718
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -2.7347   -3.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2994   -2.8587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9592   -1.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0543   -0.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5488   -0.5006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1323    0.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9983    1.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7141    1.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2788    1.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0615    2.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4968    3.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8163    0.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2516    0.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5918    2.3956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3467   -0.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0065   -1.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1015   -2.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5712   -1.9871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4761   -0.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19  3  1  0
  8  4  1  0
 19 12  2  0
M  END
$$$$
Mol_6719
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
    4.8845   -0.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3850   -0.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6678    0.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1683    0.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4511    1.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0484    1.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8308    0.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1136   -0.6774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3859   -0.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1449   -1.7666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4995   -1.1223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3054    0.3651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
  9  4  1  0
 12  7  1  0
M  END
$$$$
Mol_6720
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -1.5766    1.6851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0128    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9880   -0.8454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4730   -0.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9092    0.9296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3702    1.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3950    0.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8560    0.5140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9588   -1.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4978   -1.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4738   -0.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9100   -1.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4986    1.0055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 11 13  1  0
 10  4  1  0
M  END
$$$$
Mol_6721
     RDKit          2D

 31 33  0  0  0  0  0  0  0  0999 V2000
    0.8468   -1.6126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4012   -0.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8854   -0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8153   -1.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2996   -0.9622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2294   -2.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7137   -1.9225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2681   -0.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7523   -0.3119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6761   -3.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
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 10 11  2  0
  2 12  1  0
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 11  5  1  0
 19 12  1  0
 30 21  1  0
M  END
$$$$
Mol_6722
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -4.0388   -1.0716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0171    0.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4572    1.4605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1150   -1.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3470   -2.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3687   -0.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8307   -1.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8524   -0.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4123    1.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9504    1.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286    0.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9735    2.2229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
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  4  5  2  0
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 13  4  1  0
 12  7  1  0
M  END
$$$$
Mol_6723
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -3.7110    0.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3117    0.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0798   -1.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6805   -1.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4870   -0.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8864   -1.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0539   -0.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8220    1.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4227    1.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552    0.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1442    1.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
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  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  2  1  0
 10  5  1  0
M  END
$$$$
Mol_6724
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.0172   -1.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4629   -0.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3929    1.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0599    1.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9898    0.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4740    0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4355   -0.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3655   -2.0413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0487   -1.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
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  4  5  1  0
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  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11  4  1  0
M  END
$$$$
Mol_6725
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -8.0812   -0.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7661    0.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4837   -0.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1687    0.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8863   -0.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2888   -0.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263    0.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3087   -0.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6237    0.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6564    1.6886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9061   -0.5892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2212    0.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5036   -0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
M  END
$$$$
Mol_6726
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -4.5553   -0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2359    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   -0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6388    0.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6388   -0.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9583    0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2359   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5553    0.2480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
M  END
$$$$
Mol_6727
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -7.1488   -0.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8407    0.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5509   -0.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2428    0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9530   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6449    0.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6449   -0.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9530    0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2428   -0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5509    0.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8407   -0.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1488    0.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
M  END
$$$$
Mol_6728
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.3750    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8750    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3750    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8750    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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  4  5  2  0
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 10 11  1  0
 10 12  1  0
 12  4  1  0
M  END
$$$$
Mol_6729
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -5.3876    0.7219    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1204   -0.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1958    0.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0713   -0.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4001    0.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4617    1.9005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6672   -0.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6056   -1.8997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9960    0.2950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  2  4  1  0
  4  5  1  0
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  6  7  1  0
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  8  9  1  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
M  END
$$$$
Mol_6730
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -5.0873   -1.1699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7119   -0.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5425    0.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1671    1.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9977    3.0080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0756   -1.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1652    2.4213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4144    1.2242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5837    2.7146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
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  4  5  1  0
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  6  7  1  0
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 17 18  1  0
 18 19  2  0
  8  2  1  0
 17 11  1  0
 18  6  1  0
M  END
$$$$
Mol_6731
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
   -4.9247   -3.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1536   -1.8194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5738   -2.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8757   -0.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0982    0.7781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5985    0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3207    2.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8203    2.0928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5432    3.3436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8210    2.0288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5992    0.6821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6539   -1.8514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  6 10  1  0
 10 11  1  0
 11 12  1  0
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 12 14  1  0
 14 15  2  0
 15 16  1  0
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 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
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 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 14 32  1  0
 32 33  1  0
 33  2  1  0
 32  6  1  0
 30 12  1  0
 30 17  1  0
 27 18  1  0
M  END
$$$$
Mol_6732
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.2689    0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0893    0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3020   -1.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3029    0.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4825   -0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8748    0.2197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
M  END
$$$$
Mol_6733
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
    3.5140    0.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2602   -0.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9202    0.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3336   -0.6631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6736    0.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9274   -0.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7598    1.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
M  END
$$$$
Mol_6734
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
   -9.7451   -0.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4410    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1471   -0.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8430    0.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9511   -0.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6469   -0.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9511    0.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2450   -0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5491    0.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8430   -0.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1471    0.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4410   -0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7451    0.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
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 13 14  1  0
 14 15  1  0
 15 16  1  0
M  END
$$$$
Mol_6735
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.7492    2.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5574    1.2205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1730    0.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4037    0.9752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9812   -0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1736   -1.7548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9817   -3.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9799   -1.0901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1723   -0.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6041    0.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8614   -1.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9804    1.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5961    1.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  6 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 12 15  1  0
 15 16  2  0
  8  3  1  0
 16  5  1  0
M  END
$$$$
Mol_6736
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.3336   -2.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5577   -1.2963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3854   -0.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9889   -0.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1835    0.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5800   -0.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7524    0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1489   -0.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3731   -1.6145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3213    0.8044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0407    1.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4372    2.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6096    1.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0061    1.6700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  5 11  2  0
 11 12  1  0
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 13 14  1  0
 13  3  1  0
M  END
$$$$
Mol_6737
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
   11.5495    0.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2613   -0.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9516    0.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6635   -0.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3538    0.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0657   -0.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7560    0.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4679   -0.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1582    0.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1299   -0.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4396    0.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7277   -0.5128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0374    0.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3256   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6352    0.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9234   -0.5873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2330    0.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5212   -0.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2545    1.6439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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 17 18  1  0
 17 19  2  0
M  END
$$$$
Mol_6738
     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -3.1874    1.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8265   -0.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4656   -1.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2824   -0.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3705    0.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9551    1.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5008    2.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9163    3.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3722    3.8158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5414    0.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1259   -0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1664   -1.5886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0860   -2.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2469   -0.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2070   -2.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3300   -0.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7454   -2.3104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  2  4  1  0
  2  5  1  0
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  7 10  2  0
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 16 17  1  0
 16  5  1  0
M  END
$$$$
Mol_6739
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -2.4862   -1.5220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0980   -0.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1587    0.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2609    1.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1880    2.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2486    1.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8604   -0.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9211   -1.4180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4115   -0.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0233   -2.1944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 10  4  1  0
M  END
$$$$
Mol_6740
     RDKit          2D

 31 32  0  0  0  0  0  0  0  0999 V2000
   -8.3451   -2.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9081   -1.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.6533    0.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1252    0.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0342   -0.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3801   -2.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0826   -0.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2858    0.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2568   -2.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7793    1.7349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
  6 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 13 31  1  0
  9  2  1  0
 31  5  1  0
M  END
$$$$
Mol_6741
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -1.6762   -1.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2573   -0.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1764    0.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3330    1.9740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1074    1.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1541    0.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0264    0.3697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1719   -0.5988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1093    1.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1830   -0.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6908   -2.2822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  1  0
  6  2  1  0
 10  2  1  0
M  END
$$$$
Mol_6742
     RDKit          2D

 38 44  0  0  0  0  0  0  0  0999 V2000
   -9.7887    0.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3032    0.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7400    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2544    2.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6912    3.5331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3320    0.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7688    2.3502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8464    1.1674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9240   -0.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4384    0.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5160   -0.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0472    0.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8752    1.5822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0791   -2.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1567   -3.5641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3289   -3.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8920   -1.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9696   -0.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5328    0.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0184    0.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9408   -0.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6462    0.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4371   -0.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4023    0.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0407    2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3135    2.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4195    4.4192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4617    1.9577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8985    0.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7986   -1.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5258   -2.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3776   -1.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9629   -3.2005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5647   -2.5886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4871   -1.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9727   -1.6131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8951   -0.4303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3807   -0.6377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 11 14  1  0
 14 15  1  0
 15 16  1  0
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 17 18  1  0
 18 19  1  0
 19 20  1  0
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 23 24  1  0
 24 25  2  0
 25 26  1  0
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 23 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 14 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38  2  1  0
 37  6  1  0
 35  9  1  0
 18 11  1  0
 32 21  1  0
 32 17  1  0
 29 24  1  0
M  END
$$$$
Mol_6743
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -5.0616   -0.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7659   -1.1338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4636   -0.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4571    1.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1548    1.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1410    1.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1345   -0.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1678   -1.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4302   -1.1563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7325   -0.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2108   -0.1578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2394   -1.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7390    1.0881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4432    1.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  1  0
 13 14  2  0
  8  3  1  0
 14  6  1  0
M  END
$$$$
Mol_6744
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -2.2993   -2.5501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6840   -1.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1320   -0.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -0.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0056    1.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9424    2.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5056    2.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5688    3.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8903    0.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3383    0.2325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7230   -1.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1710   -1.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6598   -2.2754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1729   -0.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
  9 14  1  0
 14  4  1  0
M  END
$$$$
Mol_6745
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10  4  1  0
M  END
$$$$
Mol_6746
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
    2.1029   -2.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2008   -1.4839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4692   -0.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0997    0.7706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6029    0.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0473   -0.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3460    0.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8428    0.1285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8017   -1.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2801   -0.7711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2823   -2.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2122    1.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9438    2.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2096    1.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9764    2.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  8 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
  6  2  1  0
 14  7  1  0
 14  5  1  0
M  END
$$$$
Mol_6747
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.6401   -0.6127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135   -0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6401   -0.6127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  2  1  0
M  END
$$$$
Mol_6748
     RDKit          2D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -5.5585   -1.7776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -0.3220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2756    0.7196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7545    0.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3922    1.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9505    1.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5881    3.4173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1464    3.8313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6676    4.4588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8710    0.9201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5707    1.3341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501    0.2926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0919    0.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1713   -0.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6130    0.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8959    2.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542    2.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2878   -1.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3672   -2.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0049   -3.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5632   -4.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5162   -3.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1539   -1.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -0.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1539   -1.5770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3452   -1.5242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8577   -2.9017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6751   -0.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  6 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 12 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 10 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 25 29  2  0
 29  4  1  0
 18 13  1  0
 24 19  1  0
M  CHG  6   2   1   3  -1   7   1   9  -1  26   1  28  -1
M  END
$$$$
Mol_6749
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.7486   -0.0835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  2  0
 11  4  1  0
M  END
$$$$
Mol_6750
     RDKit          2D

 30 35  0  0  0  0  0  0  0  0999 V2000
   -8.6996   -0.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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  6  7  1  0
  5  8  1  0
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 29 30  1  0
  7  2  1  0
 28  9  1  0
 29  5  1  0
 26 11  1  0
 23 12  1  0
 21 15  1  0
M  END
$$$$
Mol_6751
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
    3.3195   -3.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7516   -2.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0908   -0.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
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 29 30  1  0
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 31 32  1  0
 32 33  1  0
 13 34  1  0
 34  4  1  0
 34  7  1  0
 32 11  1  0
 32 16  1  0
 29 17  1  0
M  END
$$$$
Mol_6752
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -5.2463   -3.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4244   -1.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8602   -2.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1011   -0.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2802    0.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7825    0.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4592    2.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9569    2.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6383    3.3962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9615    2.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4639    1.9743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7871    0.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1104   -0.7030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6081   -0.6198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5618   -2.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9815    2.1971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5315    1.8078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0338    1.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1057   -0.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9267   -1.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  7  9  1  0
  6 10  1  0
 10 11  1  0
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 31 32  1  0
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 34  2  1  0
 33  6  1  0
 31 12  1  0
 31 17  1  0
 28 18  1  0
M  END
$$$$
Mol_6753
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -4.3420   -0.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0029    0.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7480   -0.2354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4089    0.4403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8459   -0.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7616   -1.8791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1851    0.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2694    1.7919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4399   -0.5275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
M  END
$$$$
Mol_6754
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -0.7763   -3.0482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3414   -1.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8272   -1.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4431    1.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9290    1.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8499    0.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3357    0.7580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.2057   -2.0211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4205   -0.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
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 18 30  1  0
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 32  2  1  0
 12  5  1  0
 32 14  1  0
 28 19  1  0
M  END
$$$$
Mol_6755
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.8313    2.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  2  3  1  0
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  3  5  1  0
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  6  7  1  0
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  8  2  1  0
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M  END
$$$$
Mol_6756
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
    6.9113   -1.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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  4  5  2  0
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 24  6  1  0
 22  9  1  0
 19 10  1  0
M  END
$$$$
Mol_6757
     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -4.5961   -4.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0806   -0.5823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
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  4  5  1  0
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  6  7  1  0
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 28  5  1  0
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M  END
$$$$
Mol_6758
     RDKit          2D

 27 28  0  0  0  0  0  0  0  0999 V2000
    0.4149   -3.5988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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M  END
$$$$
Mol_6759
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
    8.1864    2.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_6760
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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   -2.8764    1.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
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 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
  3 28  1  0
 28 29  1  0
 28 30  1  0
 26  8  1  0
 26 11  1  0
 23 12  1  0
 21 15  1  0
M  END
$$$$
Mol_6761
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.0860   -0.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6893   -1.0393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172   -0.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7417    1.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5696    2.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8270    1.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0516    0.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4483   -0.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6204    0.6746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6729   -1.7445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1205   -0.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1041   -2.1335    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  7 11  2  0
 11 12  1  0
 11  3  1  0
M  END
$$$$
Mol_6762
     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -3.4909    3.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5006    2.7106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0448    1.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5793    0.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1235   -0.4673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6579   -0.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2021   -2.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2634   -2.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7192   -3.9651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2731   -1.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7386   -1.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1944   -3.1756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7483   -0.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2138   -0.9571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2235    0.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2925    0.7918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3022    1.9011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8464    3.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8270    1.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3712    2.5407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    3.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8173    0.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3518    0.3221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1332   -1.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5987   -1.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6084   -2.3661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0739   -2.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0545    0.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5200    0.4921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9758    1.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  2  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  2  0
 22 23  1  0
  5 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 25 28  2  0
 28 29  1  0
 29 30  1  0
 28  3  1  0
 23  6  1  0
 22 10  1  0
M  END
$$$$
Mol_6763
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -7.2584   -1.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7996   -2.1913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7677   -1.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1947    0.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1628    1.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5898    2.8620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7041    1.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6722    2.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2135    1.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8184    2.9030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2135    0.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6723    0.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0992   -1.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5580   -1.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -3.1981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9531   -4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5898   -0.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0486   -1.0206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1629    0.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1947    1.8553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7678    3.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7041    1.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8184   -0.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2771   -0.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3090   -1.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
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 11 12  1  0
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 13 14  1  0
 14 15  1  0
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 17 18  1  0
 17 19  1  0
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 19 22  2  0
 11 23  2  0
 23 24  1  0
 24 25  2  0
 25  3  1  0
 24  7  1  0
 22 12  1  0
M  CHG  1  23   1
M  END
$$$$
Mol_6764
     RDKit          2D

 38 44  0  0  0  0  0  0  0  0999 V2000
   -9.7887    0.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3032    0.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7400    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2544    2.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6912    3.5331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3320    0.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7688    2.3502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8464    1.1674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9240   -0.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4384    0.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5160   -0.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0472    0.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8752    1.5822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0791   -2.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1567   -3.5641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3289   -3.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8920   -1.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9696   -0.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5328    0.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0184    0.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9408   -0.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6462    0.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3135    2.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4617    1.9577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8985    0.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5258   -2.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3776   -1.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9629   -3.2005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5647   -2.5886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4871   -1.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9727   -1.6131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8951   -0.4303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3807   -0.6377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 11 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 23 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 14 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38  2  1  0
 37  6  1  0
 35  9  1  0
 18 11  1  0
 32 21  1  0
 32 17  1  0
 29 24  1  0
M  END
$$$$
Mol_6765
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
   10.6617    2.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1642    2.6131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4906    1.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9931    1.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3195   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8220   -0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1484   -1.5813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6510   -1.6681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9774   -3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4799   -3.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3440   -1.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8415   -1.9284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6654   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1629   -0.7617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9868    0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4843    0.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3082    1.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8057    1.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4793    0.2314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6296    2.8251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
M  END
$$$$
Mol_6766
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.3820   -0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2936   -1.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8555   -0.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3348   -1.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5707   -0.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9849   -1.2276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1442    0.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0570    1.9011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3553    0.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2053    1.9855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
  9  3  1  0
M  END
$$$$
Mol_6767
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -3.4867   -0.7905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0825   -0.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8373    1.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4331    1.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7259    0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4806   -0.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9236   -1.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8848   -0.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6481   -1.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0239    0.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
  7  2  1  0
  8  5  1  0
M  END
$$$$
Mol_6768
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.6694    0.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6694   -0.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9246    0.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2635   -0.1932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5186    0.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8575   -0.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1126    0.7731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4515    0.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2728   -1.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9492    0.1805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9246   -0.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2635    0.1932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5186   -0.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8575    0.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1126   -0.7731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4515   -0.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2728    1.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9492   -0.1805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  1 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 10  8  1  0
 18 16  1  0
M  END
$$$$
Mol_6769
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    4.1703   -0.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7653   -0.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6078   -0.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2028   -0.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0447    1.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1127    1.9781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5177    1.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3558    1.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2679    3.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7430    1.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1619   -0.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2969   -1.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7995   -1.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2184   -3.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5115   -2.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
  7  2  1  0
 13  4  1  0
M  END
$$$$
Mol_6770
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -6.2145   -1.3638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7147   -1.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9874   -2.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9423   -0.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5285    1.2767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9901    1.6140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3965    2.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5274    3.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1107    1.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4480    0.0269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4638   -1.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9520   -2.5234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0086   -0.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9928   -1.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4652   -1.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9534   -0.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4259    0.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4101   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8825   -0.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3707    0.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3865    1.7450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9141    1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9693    0.8859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4968    0.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 16 23  1  0
 23 24  2  0
 10  4  1  0
 24 13  1  0
 22 17  1  0
M  END
$$$$
Mol_6771
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.6450    0.6199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5176   -0.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0970    0.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9696   -0.8774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4510   -0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7442    1.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1647    1.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2921    0.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9989   -0.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5783   -1.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
M  END
$$$$
Mol_6772
     RDKit          2D

 30 29  0  0  0  0  0  0  0  0999 V2000
  -14.9155   -0.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6445   -0.1202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6990    1.3788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3191   -0.8226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0482   -0.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7228   -0.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4518    0.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5062    1.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1264   -0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8554    0.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5300   -0.5397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2591    0.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3135    1.7559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9337   -0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6627    0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6627   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9337    0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2591   -0.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3135   -1.7559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5300    0.5397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8554   -0.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1264    0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4518   -0.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5062   -1.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7228    0.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0482    0.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3191    0.8226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6445    0.1202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9155    0.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6990   -1.3788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 28 30  1  0
M  END
$$$$
Mol_6773
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.9859    1.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5564    0.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6401   -0.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1535   -0.6315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2373   -1.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2494   -1.6196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8198   -0.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3065   -0.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8769    1.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9036    0.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5830    0.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  2  0
 11  4  1  0
M  END
$$$$
Mol_6774
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -6.0727    1.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9777    0.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3182   -1.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5424    0.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4475   -0.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0121    0.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828   -0.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2576   -2.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5182   -0.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8586    1.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2940    1.5426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3889    0.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8242    0.9530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0484   -0.9435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6131   -1.3791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15  9  1  0
M  END
$$$$
Mol_6775
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -3.9518   -2.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5832   -0.7422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1397   -0.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0648   -1.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3787   -0.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4536   -2.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8971   -1.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2658   -0.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7093    0.2504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1909    0.8889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7474    0.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3275    1.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0411    2.9813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7710    1.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8459    2.1658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 14  3  1  0
 11  5  2  0
M  END
$$$$
Mol_6776
     RDKit          2D

 40 41  0  0  0  0  0  0  0  0999 V2000
   11.1079   -2.3298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3864   -1.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3465   -0.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0279    0.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7493   -0.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4308    0.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3908    2.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1522   -0.1845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8336    0.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5550   -0.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2364    0.4614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1965    1.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9579   -0.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 39 40  1  0
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 32 26  1  0
M  END
$$$$
Mol_6777
     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
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  9 10  1  0
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 26 28  1  0
  8  2  1  0
 17 11  1  0
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M  END
$$$$
Mol_6778
     RDKit          2D

 44 46  0  0  0  0  0  0  0  0999 V2000
    8.5487   -0.9079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 13  5  1  0
 36 34  1  0
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M  END
$$$$
Mol_6779
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6780
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
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 13  6  1  0
 12  8  1  0
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M  END
$$$$
Mol_6781
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 17 10  1  0
M  END
$$$$
Mol_6782
     RDKit          2D

 44 46  0  0  0  0  0  0  0  0999 V2000
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   12.4591    0.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 21  1  0
 36 34  1  0
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M  END
$$$$
Mol_6783
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.7387    2.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4680    1.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0734   -1.7499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9451    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  3  7  1  0
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 15 16  2  0
 16  2  1  0
 16 10  1  0
M  END
$$$$
Mol_6784
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.3865    2.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6116    1.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0091    0.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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  9  4  1  0
 15  9  1  0
M  END
$$$$
Mol_6785
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -1.8897    1.7296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_6786
     RDKit          2D

 23 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6787
     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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   -0.6604    0.4741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
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 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20  7  1  0
M  END
$$$$
Mol_6788
     RDKit          2D

 31 33  0  0  0  0  0  0  0  0999 V2000
   -6.2575   -0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5607   -4.0569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
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  6  7  2  0
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 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
  7 16  1  0
 16 17  1  0
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 18 24  1  0
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 27 28  1  0
 27 29  2  0
 29 30  1  0
 30 31  2  0
 30  6  1  0
 14  8  1  0
 29 17  1  0
M  END
$$$$
Mol_6789
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -7.5583    0.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3842   -0.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3983    2.1607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0954    0.8035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14  9  1  0
M  END
$$$$
Mol_6790
     RDKit          2D

 24 28  0  0  0  0  0  0  0  0999 V2000
   -5.0601   -1.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7904   -0.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5773    1.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0954    1.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5047    2.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0036    2.9965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3414    0.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
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  9 10  1  0
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 22  2  2  0
 23  7  2  0
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 24 11  1  0
 23 19  1  0
M  END
$$$$
Mol_6791
     RDKit          2D

 40 44  0  0  0  0  0  0  0  0999 V2000
   -9.4302   -2.5611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4840   -1.3973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0029   -1.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_6792
     RDKit          2D

 46 51  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
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 23 38  1  0
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 15 46  1  0
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 41 19  1  0
 37 29  1  0
M  END
$$$$
Mol_6793
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -6.5349    2.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1685    0.8526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7257    0.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6491    1.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2063    1.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4961    3.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0695   -3.5111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  2  0
  8  9  1  0
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 10 11  1  0
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 22 23  2  0
  8 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 25  3  1  0
 22  9  1  0
 21 12  1  0
M  END
$$$$
Mol_6794
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
   -5.9849   -3.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2181   -1.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4179    2.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6512    3.3331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9180    2.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9851   -3.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
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 10 11  1  0
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 13 14  2  0
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 31 32  1  0
 32 33  1  0
 32  2  1  0
 31  5  1  0
 29 11  1  0
 29 16  1  0
 26 17  1  0
M  END
$$$$
Mol_6795
     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
    4.9093   -3.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8802   -2.2847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3755   -0.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8999   -0.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3952    0.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9196    1.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2700    2.4309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2166    2.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3465    0.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8221    0.0020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  6  7  1  0
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  9 10  1  0
 10 11  1  0
 11 12  2  0
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 23 24  1  0
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 22  6  1  0
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 16 11  1  0
 19 14  1  0
M  END
$$$$
Mol_6796
     RDKit          2D

 36 38  0  0  0  0  0  0  0  0999 V2000
   -4.2129    3.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1243    0.7043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1870    1.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
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  4  5  1  0
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 13 14  1  0
 14 15  1  0
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 30 32  1  0
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 34 35  1  0
 11 36  2  0
 36  6  1  0
 34 13  1  0
 29 22  1  0
M  END
$$$$
Mol_6797
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -4.8527    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4702   -0.5613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3815    0.9838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7071    2.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8151    3.7349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0009   -0.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4913    0.1171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4026   -1.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2947   -2.6339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0878   -1.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6861   -2.9731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  6  9  1  0
  9 10  1  0
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 11 12  1  0
 11 13  1  0
 13 14  1  0
 13  4  1  0
M  END
$$$$
Mol_6798
     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
    6.8763   -0.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23  7  1  0
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M  END
$$$$
Mol_6799
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6800
     RDKit          2D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6801
     RDKit          2D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6802
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6803
     RDKit          2D

 39 42  0  0  0  0  0  0  0  0999 V2000
    8.4161   -1.7884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6554   -0.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0574    0.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_6804
     RDKit          2D

 40 44  0  0  0  0  0  0  0  0999 V2000
   -9.3057   -2.8442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3855   -1.6597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.9793   -0.6797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4933   -0.8843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7999   -1.1746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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M  END
$$$$
Mol_6805
     RDKit          2D

 27 32  0  0  0  0  0  0  0  0999 V2000
   -6.6751    0.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8190   -1.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0632   -2.5109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 16  7  1  0
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M  END
$$$$
Mol_6806
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6807
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -0.3242   -1.8499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0195   -0.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4558    0.0426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5484   -0.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9847   -0.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0774   -1.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5137   -1.1479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8574    0.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2937    0.7447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7647    1.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1084    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3284    0.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0732    0.6378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5095    0.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6022    1.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0385    0.8006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1311    1.8283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5675    1.3959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7875    3.2884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3821   -0.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2895   -1.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6331   -3.1472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8532   -1.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7605   -2.2824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
  2 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 16 20  2  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 12  5  1  0
 23 14  1  0
M  CHG  1  19  -1
M  END
$$$$
Mol_6808
     RDKit          2D

 47 52  0  0  0  0  0  0  0  0999 V2000
   -0.9549   -1.5590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625   -1.0682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7462    0.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1045    1.0411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9192    2.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2829    3.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2116    4.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0699    2.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4336    1.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2918    0.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7864    0.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4226    1.6838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4048    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8578    2.1199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0542    1.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4360    1.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8689   -0.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0652   -1.1782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8799   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0763   -3.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9811   -2.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1715   -4.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2726   -4.4763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6544   -3.8926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8866    3.6196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4692    4.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5644    2.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8394    4.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0609    1.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6972   -0.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917   -0.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0499    1.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5445    0.9149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1807   -0.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3225   -1.6737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9588   -3.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1005   -4.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6060   -4.1341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4533   -3.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0896   -4.5186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3115   -1.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8061   -2.0581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6753   -0.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5335    0.6586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4137    2.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2804    3.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8619    2.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 20 23  1  0
 23 24  1  0
 14 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
  9 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 36 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 41 43  1  0
 43 44  1  0
 32 45  1  0
 45 46  1  0
 45 47  1  0
  9  3  1  0
 27 12  1  0
 43 34  1  0
 29  5  1  0
 45  5  1  0
 27  8  1  0
M  END
$$$$
Mol_6809
     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
   -3.2669   -4.5652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8868   -3.1142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4400   -2.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3735   -3.7727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0598   -1.2669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3869   -0.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6494   -1.6807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8099   -0.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2927   -0.9567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8380   -2.3541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2302    0.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6849    1.6116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021    1.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2646    0.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7671    0.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5567    1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5845    1.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3741    2.9753    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7597    2.3599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6855    1.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1705    1.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7297    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0963    0.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1264   -0.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7462    1.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2994    1.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 20 24  1  0
 24 25  1  0
 25 26  1  0
 24  5  1  0
 15  6  1  0
 26 18  1  0
 14  8  1  0
 26 15  1  0
M  END
$$$$
Mol_6810
     RDKit          2D

 30 34  0  0  0  0  0  0  0  0999 V2000
   -3.0096   -5.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4750   -4.3504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4727   -3.2344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0051   -3.5444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9381   -1.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4057   -1.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8711   -0.0725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8688    1.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3342    2.4695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8018    2.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4012    0.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9358   -0.6924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4682   -1.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5340    0.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0017   -0.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7533   -1.4944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2202   -1.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4348   -2.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8044   -1.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9592    0.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7446    0.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3750    0.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0039    0.9197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5386    2.3457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0709    2.6556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0687    1.5396    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3967    2.9656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3989    1.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8643    3.2756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8621    4.3916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
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 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 12  5  1  0
 26 14  1  0
 28 11  1  0
 23 15  2  0
 22 17  1  0
M  CHG  2  26   1  27  -1
M  END
$$$$
Mol_6811
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.0028   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8806   -0.9925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5247   -0.3508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2911   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9353   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8131    0.9325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0467    1.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4025    1.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6361    1.9975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3535    1.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7753    2.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    2.8537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5736   -0.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9214   -0.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7748    1.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2698    0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9114   -0.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4065   -0.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2598    0.7418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7548    0.6196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6081    1.8532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0581   -1.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6998   -2.9591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8464   -4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5631   -1.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5512   -1.1407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  6 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 17 22  1  0
 22 23  1  0
 23 24  1  0
 22 25  2  0
 13 26  1  0
  8  3  1  0
 25 14  1  0
 26  5  1  0
M  END
$$$$
Mol_6812
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6813
     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6814
     RDKit          2D

 46 51  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6815
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6816
     RDKit          2D

 44 48  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6817
     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6818
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6819
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6820
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6821
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6822
     RDKit          2D

 66 73  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_6823
     RDKit          2D

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$$$$
Mol_6824
     RDKit          2D

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M  END
$$$$
Mol_6825
     RDKit          2D

111119  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6826
     RDKit          2D

 67 73  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6827
     RDKit          2D

 82 89  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_6828
     RDKit          2D

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$$$$
Mol_6829
     RDKit          2D

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$$$$
Mol_6830
     RDKit          2D

 54 59  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_6831
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6832
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6833
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6834
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6835
     RDKit          2D

  2  1  0  0  0  0  0  0  0  0999 V2000
   -0.7500    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
M  END
$$$$
Mol_6836
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6837
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
    1.0446    2.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_6838
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6839
     RDKit          2D

 20 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6840
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_6841
     RDKit          2D

 16 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6842
     RDKit          2D

 65 71  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6843
     RDKit          2D

 66 72  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6844
     RDKit          2D

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M  END
$$$$
Mol_6845
     RDKit          2D

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M  END
$$$$
Mol_6846
     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6847
     RDKit          2D

 73 81  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6848
     RDKit          2D

 68 75  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6849
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6850
     RDKit          2D

 28 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6851
     RDKit          2D

 39 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6852
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6853
     RDKit          2D

 37 39  0  0  0  0  0  0  0  0999 V2000
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  2 13  1  0
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 17 18  1  0
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 32 33  2  0
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 35 36  1  0
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 12  5  1  0
 36 14  1  0
 31 24  1  0
M  END
$$$$
Mol_6854
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 27  8  1  0
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M  END
$$$$
Mol_6855
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 23 17  1  0
M  END
$$$$
Mol_6856
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
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 14 15  1  0
 14 16  2  0
M  END
$$$$
Mol_6857
     RDKit          2D

 80 87  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6858
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6859
     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6860
     RDKit          2D

 47 52  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6861
     RDKit          2D

 46 51  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6862
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6863
     RDKit          2D

 54 60  0  0  0  0  0  0  0  0999 V2000
    8.9935   -3.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 35 28  1  0
M  END
$$$$
Mol_6864
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6865
     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
  -10.4995   -2.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_6866
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 14 21  1  0
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 23  3  1  0
 22  8  1  0
 20 15  1  0
M  END
$$$$
Mol_6867
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -9.0933   -1.9891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942   -1.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2990    1.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    2.5109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2990    1.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1962   -1.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952   -1.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
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 18 19  1  0
 18 20  1  0
 20 21  2  0
  5 22  1  0
 22 23  2  0
 23  2  1  0
 21 15  1  0
M  END
$$$$
Mol_6868
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -4.7170   -1.8503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2296   -1.6564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2326   -1.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1719    2.9762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2348    2.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5907    1.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
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 13  8  1  0
 18 14  2  0
M  END
$$$$
Mol_6869
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
  -10.3091    3.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1500    2.1315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.1953    1.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5057   -1.7918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1344   -2.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.8316   -0.8516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 40 41  2  0
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 41  3  1  0
 39  7  1  0
 38 11  1  0
 23 15  1  0
 33 25  1  0
M  END
$$$$
Mol_6870
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -4.9887   -0.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6397   -0.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1943   -1.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0878   -2.6181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9988    1.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4073    1.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5138    3.3668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
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 16 17  2  0
 17 18  1  0
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 17 11  1  0
 18  5  1  0
M  END
$$$$
Mol_6871
     RDKit          2D

 48 53  0  0  0  0  0  0  0  0999 V2000
   -2.7184   -6.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18  9  1  0
 43 22  1  0
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M  END
$$$$
Mol_6872
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 23  9  1  0
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M  END
$$$$
Mol_6873
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 23  9  1  0
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M  END
$$$$
Mol_6874
     RDKit          2D

 27 28  0  0  0  0  0  0  0  0999 V2000
    8.0471   -0.8016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_6875
     RDKit          2D

 42 51  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6876
     RDKit          2D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6877
     RDKit          2D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6878
     RDKit          2D

 54 53  0  0  0  0  0  0  0  0999 V2000
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 53 54  1  0
M  END
$$$$
Mol_6879
     RDKit          2D

 45 49  0  0  0  0  0  0  0  0999 V2000
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M  RAD  1   1   2
M  END
$$$$
Mol_6880
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6881
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6882
     RDKit          2D

 26 25  0  0  0  0  0  0  0  0999 V2000
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M  ISO  4   1   2  13   2  17   2  26   2
M  END
$$$$
Mol_6883
     RDKit          2D

 59 59  0  0  0  0  0  0  0  0999 V2000
   28.5939   -1.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 42 33  1  0
M  END
$$$$
Mol_6884
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6885
     RDKit          2D

 64 68  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6886
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.1989   -3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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  8  2  1  0
 15  6  1  0
M  END
$$$$
Mol_6887
     RDKit          2D

 43 49  0  0  0  0  0  0  0  0999 V2000
    1.4436   -2.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3108   -1.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8014   -1.5965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0911   -4.1783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 16  4  1  0
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 13  7  1  0
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M  END
$$$$
Mol_6888
     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
   11.8499    2.1164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8331    1.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3697    1.3427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8895    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4093   -0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3926   -1.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9291   -0.9785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0312   -2.5260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.9780    0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 21 22  1  0
 22 18  1  0
M  END
$$$$
Mol_6889
     RDKit          2D

 23 23  0  0  0  0  0  0  0  0999 V2000
  -12.5265    0.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2542   -0.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9300    0.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6577   -0.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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 22 16  1  0
M  END
$$$$
Mol_6890
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -4.5893    0.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2888   -0.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
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 10 11  1  0
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 13 14  2  0
 13 15  1  0
 15  3  1  0
 10  7  1  0
M  END
$$$$
Mol_6891
     RDKit          2D

 46 46  0  0  0  0  0  0  0  0999 V2000
   -8.1005    0.7974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_6892
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6893
     RDKit          2D

105119  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6894
     RDKit          2D

 43 51  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_6895
     RDKit          2D

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M  END
$$$$
Mol_6896
     RDKit          2D

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    6.4343   -3.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0639    6.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   10.1257    0.0000 Co  0  0  0  0  0 15  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 14 13  1  1
 14 15  1  0
 15 16  1  6
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 17 18  1  0
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 15 20  1  0
 20 21  1  6
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 22 23  1  0
 23 24  1  0
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 27 28  1  0
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  9 70  1  0
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 91 92  3  0
 57  2  1  0
 85  3  1  0
 76  7  1  0
 20 12  1  0
 52 35  1  0
 64 54  1  0
 51 41  1  0
 51 44  1  0
M  CHG  4  13  -1  33  -1  91  -1  93   3
M  END
$$$$
Mol_6897
     RDKit          2D

 52 57  0  0  0  0  0  0  0  0999 V2000
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    9.2128   -3.0088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3807   -3.9501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0110   -1.9273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4735    1.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1377    2.9194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
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 18 17  1  1
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 16 29  1  0
 29 30  1  0
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 29 32  2  0
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 33 34  1  0
 34 35  1  0
  5 36  2  0
 36 37  1  0
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 51 52  1  6
 40  3  1  0
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 35  6  1  0
 35  9  1  0
 32 11  1  0
 27 18  1  0
M  END
$$$$
Mol_6898
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
    6.6486    3.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4702    2.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9761   -2.6162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7976   -4.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7755   -1.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6035   -2.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8041   -1.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2053    0.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4058    1.2899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2274    2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4279    3.6784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8483    3.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
M  END
$$$$
Mol_6899
     RDKit          2D

 70 77  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6900
     RDKit          2D

 67 74  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6901
     RDKit          2D

 68 75  0  0  0  0  0  0  0  0999 V2000
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 39 43  1  0
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 49 50  1  6
 49 51  1  0
 51 52  1  0
 16 53  1  0
 53 54  1  1
 53 55  1  0
 55 56  1  6
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 11 59  1  0
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  4 63  1  0
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 61  6  1  0
 57 14  1  0
 27 20  1  0
 49 28  1  0
 52 20  1  0
 47 31  1  0
 43 32  1  0
M  END
$$$$
Mol_6902
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -2.9486    1.9183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6523    3.5867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
  5 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
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 17 18  1  0
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 23 24  1  0
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 24 26  1  0
 23  4  1  0
 12  6  1  0
 22 14  1  0
 21 16  1  0
M  END
$$$$
Mol_6903
     RDKit          2D

 69 71  0  0  0  0  0  0  0  0999 V2000
   17.6096    0.1026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2392    0.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0716    0.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9147    1.6609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8581   -0.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9720   -5.3584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  2  3  1  0
  3  4  1  6
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 13 14  1  0
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 21 20  1  6
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 47 48  1  0
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 45 15  1  0
 68 49  1  0
 41 21  1  0
 62 53  1  0
 35 26  1  0
M  END
$$$$
Mol_6904
     RDKit          2D

 23 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
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 22 23  1  0
M  END
$$$$
Mol_6905
     RDKit          2D

 64 65  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6906
     RDKit          2D

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M  END
$$$$
Mol_6907
     RDKit          2D

 46 51  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6908
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6909
     RDKit          2D

 70 76  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6910
     RDKit          2D

 29 28  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
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  4  5  1  0
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M  END
$$$$
Mol_6911
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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M  END
$$$$
Mol_6912
     RDKit          2D

 23 28  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0
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M  END
$$$$
Mol_6913
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6914
     RDKit          2D

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M  END
$$$$
Mol_6915
     RDKit          2D

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M  END
$$$$
Mol_6916
     RDKit          2D

 23 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6917
     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6918
     RDKit          2D

 60 68  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6919
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6920
     RDKit          2D

 59 67  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6921
     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 12  5  1  0
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M  END
$$$$
Mol_6922
     RDKit          2D

 41 46  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6923
     RDKit          2D

 31 30  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6924
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6925
     RDKit          2D

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M  END
$$$$
Mol_6926
     RDKit          2D

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M  END
$$$$
Mol_6927
     RDKit          2D

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$$$$
Mol_6928
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M  END
$$$$
Mol_6929
     RDKit          2D

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$$$$
Mol_6930
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6931
     RDKit          2D

 53 58  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6932
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6933
     RDKit          2D

109119  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_6934
     RDKit          2D

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M  END
$$$$
Mol_6935
     RDKit          2D

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M  END
$$$$
Mol_6936
     RDKit          2D

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$$$$
Mol_6937
     RDKit          2D

 54 61  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6938
     RDKit          2D

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$$$$
Mol_6939
     RDKit          2D

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M  END
$$$$
Mol_6940
     RDKit          2D

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$$$$
Mol_6941
     RDKit          2D

 59 64  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_6942
     RDKit          2D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6943
     RDKit          2D

 41 44  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_6944
     RDKit          2D

 68 72  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6945
     RDKit          2D

 32 36  0  0  0  0  0  0  0  0999 V2000
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 32 23  1  0
 31  6  1  0
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M  END
$$$$
Mol_6946
     RDKit          2D

 34 35  0  0  0  0  0  0  0  0999 V2000
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 12  5  1  0
 34 10  1  0
M  END
$$$$
Mol_6947
     RDKit          2D

 64 67  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6948
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6949
     RDKit          2D

 86 94  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6950
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
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  5  6  2  0
M  END
$$$$
Mol_6951
     RDKit          2D

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M  END
$$$$
Mol_6952
     RDKit          2D

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M  END
$$$$
Mol_6953
     RDKit          2D

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$$$$
Mol_6954
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6955
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6956
     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_6957
     RDKit          2D

 46 52  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_6958
     RDKit          2D

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$$$$
Mol_6959
     RDKit          2D

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M  END
$$$$
Mol_6960
     RDKit          2D

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M  END
$$$$
Mol_6961
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6962
     RDKit          2D

 44 49  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6963
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6964
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6965
     RDKit          2D

 45 50  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6966
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6967
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6968
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6969
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6970
     RDKit          2D

 48 52  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_6971
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
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    2.7213   -0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3040   -1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
  9 10  2  0
 10  5  1  0
M  END
$$$$
Mol_6972
     RDKit          2D

 29 31  0  0  0  0  0  0  0  0999 V2000
  -12.7512    1.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7785    0.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.8553    0.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3177    0.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7929    1.0775    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4345   -1.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
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 17 18  1  0
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 21 24  1  0
 24 25  2  0
 17 26  1  0
 26 27  2  0
 10 28  1  0
 28 29  1  0
 29  7  1  0
 27 14  1  0
 25 18  1  0
M  END
$$$$
Mol_6973
     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
    4.6524   -0.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2473   -1.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0900   -0.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4723    0.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1806    2.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3379    1.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7430    1.9563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3817    2.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7868    2.2899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0347    0.8105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0232   -0.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9568   -2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6506   -0.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8774   -0.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  6 10  1  0
 10 11  1  0
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 18 21  1  0
 21 22  1  0
  8  3  1  0
 22 12  1  0
 22  5  1  0
 22 15  1  0
M  END
$$$$
Mol_6974
     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
    4.6301   -2.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0683   -0.9209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5829   -0.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6593   -1.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1739   -1.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5358    0.8878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0211    0.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9448    1.8608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2063   -0.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7968   -1.2672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2351   -2.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7497   -2.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 21 22  1  0
  8  3  1  0
 17 10  1  0
 22  5  1  0
 20 10  1  0
M  END
$$$$
Mol_6975
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -7.7213    1.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0830    0.0534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5883   -0.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7319    1.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2372    1.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5989   -0.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1042   -0.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0289   -1.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6672   -3.2909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8852   -0.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9500   -1.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  3  4  2  0
  4  5  1  0
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 21 22  1  0
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 23 24  2  0
 24  3  1  0
 22  7  1  0
 21 11  1  0
M  END
$$$$
Mol_6976
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -6.0050   -2.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5358   -2.6576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5391   -1.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0700   -1.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0733   -0.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3926    0.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8617   -0.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3341   -1.6264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.9531    1.6134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
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 22  3  1  0
 19  5  2  0
 15  8  1  0
M  END
$$$$
Mol_6977
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.4844    1.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
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  6  7  2  0
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  9 10  1  0
 10 11  2  0
 11  6  1  0
M  END
$$$$
Mol_6978
     RDKit          2D

 55 61  0  0  0  0  0  0  0  0999 V2000
    2.7835    2.0469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2684    1.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_6979
     RDKit          2D

 34 39  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6980
     RDKit          2D

 65 72  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6981
     RDKit          2D

 87 97  0  0  0  0  0  0  0  0999 V2000
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$$$$
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M  END
$$$$
Mol_6983
     RDKit          2D

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M  END
$$$$
Mol_6984
     RDKit          2D

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M  END
$$$$
Mol_6985
     RDKit          2D

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M  END
$$$$
Mol_6986
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6987
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6988
     RDKit          2D

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  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
M  END
$$$$
Mol_6989
     RDKit          2D

 27 28  0  0  0  0  0  0  0  0999 V2000
    6.5126   -3.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8503   -1.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5257    0.9409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
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  8  9  2  0
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 10 11  1  0
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  5 22  2  0
 22 23  1  0
 23 24  1  0
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 26 27  1  0
 26  3  1  0
 20 11  1  0
M  END
$$$$
Mol_6990
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
    8.4384    3.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9925    2.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2367    0.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  6
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
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 31 32  1  0
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 33 34  1  0
 15  5  1  0
 31 18  1  0
 14  8  1  0
 34 10  1  0
M  END
$$$$
Mol_6991
     RDKit          2D

 42 43  0  0  0  0  0  0  0  0999 V2000
  -21.8349    3.9233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.3443    4.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -17.9629    3.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0719    1.8463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5814    2.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6904    0.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1999    0.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3090   -0.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8184   -0.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9275   -1.2693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4369   -1.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1645   -3.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6805    0.3030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2211    0.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8652    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2953    1.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.7223    1.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1452    2.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.7697    0.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8973   -0.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9339   -1.8734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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 39 40  1  0
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 42 17  1  0
 40 35  1  0
M  END
$$$$
Mol_6992
     RDKit          2D

 42 43  0  0  0  0  0  0  0  0999 V2000
  -20.8405    3.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.3455    3.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -16.1439    1.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6488    1.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7956    0.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3005    0.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4472   -0.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9522   -0.5501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0989   -1.7838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 39 40  1  0
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 42 15  1  0
 40 35  1  0
M  END
$$$$
Mol_6993
     RDKit          2D

 41 42  0  0  0  0  0  0  0  0999 V2000
  -20.5297    3.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.0346    3.9053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_6994
     RDKit          2D

 53 56  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6995
     RDKit          2D

 44 46  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_6996
     RDKit          2D

 43 44  0  0  0  0  0  0  0  0999 V2000
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 18 43  1  0
 43 15  1  0
 41 36  1  0
M  END
$$$$
Mol_6997
     RDKit          2D

 45 47  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 44 25  1  0
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M  END
$$$$
Mol_6998
     RDKit          2D

 41 42  0  0  0  0  0  0  0  0999 V2000
  -20.7139    3.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.2187    3.8838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 41 15  1  0
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M  END
$$$$
Mol_6999
     RDKit          2D

 43 45  0  0  0  0  0  0  0  0999 V2000
  -20.8537   -0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_7000
     RDKit          2D

 29 33  0  0  0  0  0  0  0  0999 V2000
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   -3.5362   -0.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9758   -0.9654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8214    0.2735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9045    1.4606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4921    0.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1716    1.6670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8952    0.8791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9392   -0.6202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4253    1.5907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8511    2.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4694    3.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8071    3.8779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7899    3.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0663    3.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0223    1.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6638    0.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5065    1.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7018    0.8029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8727   -0.1347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
 28 29  1  0
 28  5  1  0
 18  6  1  0
 28 19  1  0
 18 10  1  0
 15 11  2  0
M  END
$$$$
Mol_7001
     RDKit          2D

 28 27  0  0  0  0  0  0  0  0999 V2000
  -12.4226    2.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9627    2.3698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9343    1.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9059    0.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8775   -0.9062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4177   -0.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3893   -1.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9294   -1.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9010   -2.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4411   -2.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4127   -3.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0471   -2.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0755   -3.8956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5354   -3.5510    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    3.1908   -2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8800   -5.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9953   -3.2064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4268   -1.7698    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    6.8634   -2.2013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9902   -1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8583   -0.3332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299    0.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2614    2.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2330    3.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6645    4.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6361    5.8159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0676    7.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0392    8.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  3  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 14 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
M  END
$$$$
Mol_7002
     RDKit          2D

 48 48  0  0  0  0  0  0  0  0999 V2000
    7.0111    0.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7460    0.0000    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    7.0111   -0.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5502   -1.4872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9762   -2.8730    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    6.4747   -2.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6688   -4.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0630   -4.0630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8730   -4.9762    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    4.2035   -5.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8076   -6.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4872   -5.5502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -5.7460    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    0.8059   -7.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8059   -7.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4872   -5.5502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8730   -4.9762    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -2.8076   -6.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2035   -5.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0630   -4.0630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9762   -2.8730    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -5.6688   -4.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4747   -2.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5502   -1.4872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7460    0.0000    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -7.0111   -0.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0111    0.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5502    1.4872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9762    2.8730    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -6.4747    2.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6688    4.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0630    4.0630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8730    4.9762    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -4.2035    5.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8076    6.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4872    5.5502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7460    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -0.8059    7.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8059    7.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4872    5.5502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8730    4.9762    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    2.8076    6.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2035    5.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0630    4.0630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9762    2.8730    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    5.6688    4.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4747    2.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5502    1.4872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 21 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  1  0
 29 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 33 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  1  0
 37 40  1  0
 40 41  1  0
 41 42  1  0
 41 43  1  0
 41 44  1  0
 44 45  1  0
 45 46  1  0
 45 47  1  0
 45 48  1  0
 48  2  1  0
M  END
$$$$
Mol_7003
     RDKit          2D

 45 48  0  0  0  0  0  0  0  0999 V2000
   -4.0660    2.7047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1699    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9259    0.3701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0297   -1.1263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7858   -1.9644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8896   -3.4608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6456   -4.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7495   -5.7953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7022   -3.6407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9462   -4.4788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8061   -2.1443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1539   -1.4860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3979   -2.3242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2941   -3.8206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7458   -1.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496   -0.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1975    0.4887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3014    1.9851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4415   -0.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7893    0.3088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3376   -1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5816   -2.6840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9898   -2.5041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4379   -1.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3340    0.1903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138    0.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2578    0.0104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4655    3.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5694    4.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9172    5.1578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3254    5.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4293    6.8341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0225    4.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2664    5.5176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1263    3.1831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5177    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7617    1.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1096    0.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3536    1.5681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2134   -0.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5613   -1.4247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9694   -1.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0733   -3.1010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6216   -0.9464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  2  0
 11 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  1  0
 30 32  2  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34 36  2  0
  2 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  1  0
 39 41  2  0
 41 42  1  0
 41 43  1  0
 43 44  1  0
 43 45  2  0
 24  5  1  0
 36 28  1  0
 45 37  1  0
 23 15  1  0
M  END
$$$$
Mol_7004
     RDKit          2D

 78 88  0  0  0  0  0  0  0  0999 V2000
    3.4203    1.9624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0130    0.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0147   -0.5350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8651   -2.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6214   -3.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9947   -3.9264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4604   -3.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2166   -4.9029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4586   -2.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6764   -3.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0438   -2.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2615   -3.6228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1933   -1.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5607   -0.6377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9756   -0.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_7005
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.2723   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8762   -0.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6533    1.2836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7031   -1.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3070   -0.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3120    1.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5350    2.9294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4852    0.5113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2622   -0.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4353   -1.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661   -1.5206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12  5  1  0
M  END
$$$$
Mol_7006
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -0.1056   -0.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1969   -2.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2656   -2.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1765   -1.3286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2986    0.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7803    0.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9894    0.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2839    2.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2133    2.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4050    3.0413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6574   -1.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6075   -2.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
 16  2  1  0
M  END
$$$$
Mol_7007
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
    9.2545   -1.6439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2330   -0.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5212    0.6245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9234    0.5873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6352   -0.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_7008
     RDKit          2D

 39 42  0  0  0  0  0  0  0  0999 V2000
   -7.3822   -2.0197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9665   -0.5785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3539    0.1435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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 13 14  1  0
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 17 18  1  0
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  8 30  1  0
 30 31  2  0
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 31  5  1  0
 38 32  1  0
 19 10  1  0
 28 21  1  0
M  END
$$$$
Mol_7009
     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -4.6504   -2.5424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6155   -1.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.2478   -2.4818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
  9 10  1  0
 10 11  1  0
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 17 18  1  0
 17 19  1  0
 19 20  1  0
  8 21  1  0
 21 22  2  0
  2 23  1  0
 23 24  2  0
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 28 29  2  0
 29 30  1  0
 22  5  1  0
 29 23  1  0
 19 10  1  0
M  END
$$$$
Mol_7010
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    3.8382   -2.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667   -1.3236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2903   -0.7271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0856   -1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2907   -1.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0433    0.1686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0102    2.5524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7424    1.3595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5709    2.8496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7756    3.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1188    0.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  5 10  2  0
 10 11  1  0
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 10 13  1  0
 13 14  1  0
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 13 16  2  0
 16  3  1  0
M  END
$$$$
Mol_7011
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    1.8766   -3.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3447   -1.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3445   -0.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6191    0.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4173   -1.9565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0675   -1.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250   -0.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1097   -0.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6672    1.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0369   -1.3160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6977    0.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2552    2.2212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7870    0.6152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7143    1.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1568    3.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1990    1.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  7 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 13  3  1  0
M  END
$$$$
Mol_7012
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -2.6034   -4.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1076   -3.9901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4558   -2.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0401   -2.5280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6918   -1.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1877   -1.0659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8394    0.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3353    0.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1794   -0.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6753   -0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3271    0.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4829    1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6553    2.6539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6482   -0.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4924    1.1918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -1.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8324    2.3206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3283    2.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1724    3.4495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.4759    0.7475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1359   -0.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7876   -1.7324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
  7 14  2  0
 14 15  1  0
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 15 17  1  0
 17 18  1  0
 18 19  1  0
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 25 26  1  0
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 27 28  1  0
 27 29  1  0
 29 30  1  0
 20  3  1  0
 29 22  1  0
 17  5  2  0
 13  8  1  0
M  END
$$$$
Mol_7013
     RDKit          2D

 58 65  0  0  0  0  0  0  0  0999 V2000
    1.7472    3.9118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7333    2.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4274    1.6739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4135    0.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7056   -0.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8761    0.9023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2520    1.4997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4226    2.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1364   -0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6131    1.2846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0831    1.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0765    0.4589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5598    3.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2420    3.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4942    4.1785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2122   -2.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2261   -4.3018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  6
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 29 30  1  0
 23 31  1  0
 31 32  1  6
 32 33  1  0
 33 34  1  0
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 35 36  1  0
 36 37  1  1
 37 38  1  0
 38 39  2  0
 38 40  1  0
 40 41  1  0
 36 42  1  0
 42 43  1  0
 36 44  1  0
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 54 55  1  0
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 42  4  1  6
 55 51  2  0
 21  5  1  0
 42 31  1  0
 16 13  1  0
 25 18  1  0
 57 31  1  0
 43 33  1  0
M  END
$$$$
Mol_7014
     RDKit          2D

 64 71  0  0  0  0  0  0  0  0999 V2000
    4.1702    3.8798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7225    3.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3388    2.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1019    1.8064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8912    1.6442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5075    0.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_7015
     RDKit          2D

 37 43  0  0  0  0  0  0  0  0999 V2000
    6.2909    4.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8813    4.0265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6206    2.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0621    3.0007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  1
  7  5  1  1
  7  8  1  0
  8  9  1  6
  8 10  1  0
 10 11  1  0
 11 12  1  1
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 16  8  1  0
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 30 26  2  0
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M  END
$$$$
Mol_7016
     RDKit          2D

 54 59  0  0  0  0  0  0  0  0999 V2000
   -9.1852   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0
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  8  7  1  1
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 31 37  1  0
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 50 51  1  0
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 51 53  1  0
 53 54  1  0
 14  8  1  0
 45 24  1  0
 49  9  1  0
 47 12  1  0
 37 26  1  0
 36 32  2  0
M  END
$$$$
Mol_7017
     RDKit          2D

 60 66  0  0  0  0  0  0  0  0999 V2000
   -6.3302    5.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_7018
     RDKit          2D

 19 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7019
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7020
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7021
     RDKit          2D

 62 69  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7022
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -3.6555    1.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0
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M  END
$$$$
Mol_7023
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -3.4442   -1.6191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0
 11 12  2  0
 12  7  1  0
M  END
$$$$
Mol_7024
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -6.5889   -0.8653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 17  6  1  0
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M  END
$$$$
Mol_7025
     RDKit          2D

 62 69  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7026
     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7027
     RDKit          2D

 85 95  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7028
     RDKit          2D

 28 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7029
     RDKit          2D

 28 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7030
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0
M  END
$$$$
Mol_7031
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
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  9 11  1  0
 11 12  1  0
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 13 14  2  0
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 18 19  2  0
 19 20  1  0
 19 21  1  0
M  END
$$$$
Mol_7032
     RDKit          2D

 31 31  0  0  0  0  0  0  0  0999 V2000
   12.7169   -2.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2202   -2.4492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.9616    0.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
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 29 30  1  0
 29 31  1  0
 29 22  1  0
M  END
$$$$
Mol_7033
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.9509   -3.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8994   -2.6637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3157   -0.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7963   -0.3395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
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  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
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 16 17  2  0
 17 18  1  0
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 19 20  1  0
 20 21  1  0
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 13 23  1  0
  5 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 26  3  1  0
 23  8  1  0
 22 14  1  0
M  END
$$$$
Mol_7034
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
    8.1436    2.9105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6713    2.6236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7114    0.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7514   -0.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1224   -0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.5640    1.1728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0363    0.8859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0764    2.5914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
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 10 11  1  0
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 13 14  1  0
 13 15  1  0
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 18 19  1  0
 18 20  1  0
M  END
$$$$
Mol_7035
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.2342   -3.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5449   -2.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3752   -1.4895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2105    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6496    2.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4016    2.4150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
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  6 10  1  0
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 12  2  1  0
 15 11  1  0
M  END
$$$$
Mol_7036
     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
    3.9081   -2.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7854   -1.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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  4  5  1  0
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 10 11  1  0
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 23 10  1  0
 18 11  1  0
M  END
$$$$
Mol_7037
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.3518    3.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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  4  5  1  0
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 10  3  1  0
 17 11  1  0
M  END
$$$$
Mol_7038
     RDKit          2D

 46 49  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7039
     RDKit          2D

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$$$$
Mol_7040
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7041
     RDKit          2D

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M  END
$$$$
Mol_7042
     RDKit          2D

 28 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7043
     RDKit          2D

 45 51  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7044
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7045
     RDKit          2D

 45 51  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7046
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_7047
     RDKit          2D

 32 37  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_7048
     RDKit          2D

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M  END
$$$$
Mol_7049
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_7050
     RDKit          2D

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M  END
$$$$
Mol_7051
     RDKit          2D

 62 70  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7052
     RDKit          2D

 83 93  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7053
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7054
     RDKit          2D

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M  END
$$$$
Mol_7055
     RDKit          2D

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M  END
$$$$
Mol_7056
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.1371   -1.9993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8955   -0.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3954   -0.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1370   -2.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3786   -3.3129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6370   -2.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3954   -0.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8953   -0.7440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6538    0.5696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1538    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4123    1.8832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9123    1.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1707    3.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9291    4.4909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3292    3.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6044   -0.6565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1043   -0.6468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8628   -1.9604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6212   -3.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6213   -3.2740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1539    0.5988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
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 22 23  1  0
 21 24  1  0
 24 25  1  0
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 26 27  1  0
 26 28  1  0
 28 29  1  0
 17 30  2  0
 30  2  1  0
 10  3  1  0
 30 12  1  0
 28 19  1  0
M  END
$$$$
Mol_7057
     RDKit          2D

 58 63  0  0  0  0  0  0  0  0999 V2000
   15.3918    1.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1034    0.1358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6844   -0.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5538    0.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1348    0.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042    1.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2927    2.6071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5852    0.6489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2967   -0.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4273   -1.8089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4546    1.6347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0356    1.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9050    2.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1935    3.6063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0629    4.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    1.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1976    0.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5511    0.5522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0649    1.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4349    1.9473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8756    0.5135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.8442    0.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9748    1.5128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6863    2.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1327   -0.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.3897   -2.4036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  -15.2004    0.0677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2906   -3.4028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1600   -4.3887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7472   -0.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8777   -1.3093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5893   -2.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8463   -1.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9769   -2.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3959   -1.8223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5265   -2.8082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  1
  6  8  1  0
  8  9  1  6
  9 10  1  0
  8 11  1  0
 11 12  1  0
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 29 30  1  0
 28 31  2  0
 31 32  1  0
 32 33  1  0
 33 34  1  6
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 33 36  1  0
 36 37  1  6
 36 38  1  0
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 39 40  1  0
 40 41  2  0
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 42 43  1  0
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 31 47  1  0
 47 48  1  0
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 17 51  1  0
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 52 53  1  0
 53 54  1  0
  5 55  2  0
 55 56  1  0
 56 57  2  0
 57 58  1  0
 57  3  1  0
 52 12  1  0
 22 18  1  0
 50 26  1  0
 25 21  1  0
 44 38  1  0
M  END
$$$$
Mol_7058
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
    6.9523   -1.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573   -0.7097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6582   -0.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -2.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4551   -2.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6601   -0.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1610   -0.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5431   -2.2444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6341    0.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0700    1.6766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7251    2.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2242    2.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9282    1.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4273    1.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1313    0.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3363   -1.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8372   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3003   -2.2267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6911   -1.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3641    0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5690    1.7291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5672    1.8342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0663    1.8867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
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  6 22  1  0
 22 23  1  0
 22 24  2  0
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 18  9  1  0
 18 13  1  0
 21 15  1  0
M  END
$$$$
Mol_7059
     RDKit          2D

 51 57  0  0  0  0  0  0  0  0999 V2000
   -4.3552   -5.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8713   -5.5220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6986   -1.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.8732    4.5398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_7060
     RDKit          2D

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$$$$
Mol_7061
     RDKit          2D

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M  END
$$$$
Mol_7062
     RDKit          2D

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 47  6  1  0
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M  END
$$$$
Mol_7063
     RDKit          2D

 41 45  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7064
     RDKit          2D

 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7065
     RDKit          2D

 65 72  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7066
     RDKit          2D

 56 62  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7067
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7068
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7069
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 21  8  1  0
M  END
$$$$
Mol_7070
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7071
     RDKit          2D

 36 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7072
     RDKit          2D

 54 58  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7073
     RDKit          2D

 45 50  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7074
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_7075
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_7076
     RDKit          2D

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$$$$
Mol_7077
     RDKit          2D

 39 43  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_7078
     RDKit          2D

 82 90  0  0  0  0  0  0  0  0999 V2000
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 53 44  1  0
M  END
$$$$
Mol_7079
     RDKit          2D

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M  END
$$$$
Mol_7080
     RDKit          2D

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$$$$
Mol_7081
     RDKit          2D

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M  END
$$$$
Mol_7082
     RDKit          2D

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M  END
$$$$
Mol_7083
     RDKit          2D

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M  END
$$$$
Mol_7084
     RDKit          2D

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M  END
$$$$
Mol_7085
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7086
     RDKit          2D

 70 75  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7087
     RDKit          2D

  3  2  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7088
     RDKit          2D

 37 42  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7089
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7090
     RDKit          2D

 64 71  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_7091
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7092
     RDKit          2D

 48 52  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7093
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 24 25  1  0
 25 26  1  0
  9  3  1  0
 25 17  2  0
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M  CHG  2   5   1   6  -1
M  END
$$$$
Mol_7094
     RDKit          2D

 31 35  0  0  0  0  0  0  0  0999 V2000
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 21  3  1  0
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M  CHG  1   5   1
M  END
$$$$
Mol_7095
     RDKit          2D

 52 61  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7096
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7097
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7098
     RDKit          2D

 94104  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7099
     RDKit          2D

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M  END
$$$$
Mol_7100
     RDKit          2D

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M  END
$$$$
Mol_7101
     RDKit          2D

 74 83  0  0  0  0  0  0  0  0999 V2000
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 37 27  1  0
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 37 30  1  0
M  END
$$$$
Mol_7102
     RDKit          2D

 48 54  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7103
     RDKit          2D

 46 52  0  0  0  0  0  0  0  0999 V2000
    5.3576    4.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9931    3.4886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8504    1.9954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0722    1.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9295   -0.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5158   -0.6151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7376   -1.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4223   -2.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  5  9  1  0
  9 10  1  0
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 11 12  1  0
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 30 16  1  0
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 31 18  1  0
M  END
$$$$
Mol_7104
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  0
 12 14  1  0
M  END
$$$$
Mol_7105
     RDKit          2D

 53 59  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7106
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.2541   -1.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17  4  1  0
 17  7  1  0
M  END
$$$$
Mol_7107
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.2963   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0463   -0.2751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 12  1  0
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M  END
$$$$
Mol_7108
     RDKit          2D

 65 73  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7109
     RDKit          2D

 75 84  0  0  0  0  0  0  0  0999 V2000
    8.4551    0.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_7110
     RDKit          2D

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M  END
$$$$
Mol_7111
     RDKit          2D

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M  END
$$$$
Mol_7112
     RDKit          2D

 46 52  0  0  0  0  0  0  0  0999 V2000
    8.7376   -1.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5158   -0.6151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1513   -1.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9295   -0.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0722    1.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8504    1.9954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9931    3.4886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3576    4.1116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 15  9  1  0
 31 18  1  0
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M  END
$$$$
Mol_7113
     RDKit          2D

 31 36  0  0  0  0  0  0  0  0999 V2000
    0.9270   -3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1093   -1.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.8589   -0.3916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1479    0.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 31 13  1  0
 23 14  1  0
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M  END
$$$$
Mol_7114
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -7.9975   -1.0169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
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 13 14  1  0
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 11 21  2  0
 21 22  1  0
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 23 24  2  0
 24  4  1  0
 23  9  1  0
 20 12  1  0
M  END
$$$$
Mol_7115
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.0000   -0.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5000    2.0785    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
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  7  9  2  0
  9 10  1  0
  9  2  1  0
M  END
$$$$
Mol_7116
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -2.5031   -2.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2986   -1.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8689    0.5728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3096    0.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1520   -0.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2318   -1.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8208   -0.9264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9094   -0.5589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
  6 13  2  0
 13  2  1  0
 12  8  1  0
M  END
$$$$
Mol_7117
     RDKit          2D

 79 86  0  0  0  0  0  0  0  0999 V2000
  -14.6694    1.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0976   -0.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0667   -1.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -12.6076   -1.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.5767   -2.1401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1176   -1.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6894   -0.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.6926    2.6381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  8  7  1  1
  8  9  1  0
  9 10  1  6
 10 11  1  0
 11 12  1  0
 11 13  2  0
  9 14  1  0
 14 15  1  1
 15 16  1  0
 14 17  1  0
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 18 19  1  0
 19 20  1  0
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 17 22  1  0
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 23 24  1  0
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 38 39  1  6
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 30 66  1  0
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 19  8  1  0
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 78 14  1  0
 73 25  1  0
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 53 32  1  0
 64 55  1  0
 49 40  1  0
M  END
$$$$
Mol_7118
     RDKit          2D

  6  6  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
M  END
$$$$
Mol_7119
     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -5.4389    0.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4054   -0.3939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9472   -0.0424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5225    1.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0643    1.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6396    3.1864    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0307    0.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4275    1.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8522    2.4509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4611   -0.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9193    0.2767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4111   -0.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5282   -2.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4554   -0.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3383   -2.5681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7965   -2.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
  7 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 16  3  1  0
M  END
$$$$
Mol_7120
     RDKit          2D

  2  1  0  0  0  0  0  0  0  0999 V2000
    0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
M  END
$$$$
Mol_7121
     RDKit          2D

 23 22  0  0  0  0  0  0  0  0999 V2000
    3.0675    3.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5807    2.9460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3929    2.5492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7950    3.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4513    0.9639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3265   -0.6192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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 10 11  1  0
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 14 17  1  0
 17 18  1  0
 18 19  3  0
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 20 21  1  0
 21 22  1  0
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M  END
$$$$
Mol_7122
     RDKit          2D

 79 86  0  0  0  0  0  0  0  0999 V2000
  -16.5359   -0.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0750   -0.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -12.5890   -0.9616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.5638   -2.0566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1029   -1.7163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6672   -0.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6923    0.8140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2566    2.2493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2817    3.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8480    2.7651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.2314    1.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0285    1.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_7123
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
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  5  6  1  0
  6  7  1  0
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  8  9  1  0
  9 10  1  0
 10  5  1  0
M  END
$$$$
Mol_7124
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
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  8 10  1  0
  7  4  1  0
M  END
$$$$
Mol_7125
     RDKit          2D

 79 86  0  0  0  0  0  0  0  0999 V2000
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 53 32  1  0
 64 55  1  0
 49 40  1  0
M  END
$$$$
Mol_7126
     RDKit          2D

 17 20  0  0  0  0  0  0  0  0999 V2000
    4.5034   -0.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  2  3  1  0
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 14  9  1  0
 14  4  1  0
 17 11  1  0
M  END
$$$$
Mol_7127
     RDKit          2D

 45 50  0  0  0  0  0  0  0  0999 V2000
   -8.4898   -3.9751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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 38 17  1  0
 34 28  1  0
M  END
$$$$
Mol_7128
     RDKit          2D

 44 49  0  0  0  0  0  0  0  0999 V2000
    7.4987   -1.5380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0238   -1.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1522   -4.1416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3227   -3.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_7129
     RDKit          2D

 44 48  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7130
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
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  4  5  1  0
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 32  2  1  0
 31  5  1  0
 29 11  1  0
 29 16  1  0
 26 17  1  0
M  END
$$$$
Mol_7131
     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -5.4991    0.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1128   -0.3755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9235    0.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2278    1.2205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
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 12 14  1  0
  9 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
 14  3  1  0
 14  7  2  0
 20  8  1  0
M  END
$$$$
Mol_7132
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
    8.4399    2.9006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9997    1.4666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2557    0.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7177   -0.1206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7394    0.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2013    0.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2230    1.7402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6416   -0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
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 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
M  END
$$$$
Mol_7133
     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
    7.1604   -1.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207   -0.1244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7383   -0.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7133   -1.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3766    1.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8237    2.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
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  9 10  1  0
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 11 12  2  0
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 13 14  2  0
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 24 25  1  0
 25 26  1  0
 24  3  1  0
 20  6  1  0
 20 11  1  0
 17 12  1  0
 23 14  1  0
M  CHG  1   9   1
M  END
$$$$
Mol_7134
     RDKit          2D

 53 58  0  0  0  0  0  0  0  0999 V2000
   -7.8010   -0.7582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2439   -2.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1070   -2.0415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 17 30  1  0
 30 31  1  6
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 34 35  1  0
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 52 53  1  1
 52  2  1  0
 47  6  1  0
 46 10  1  0
 34 15  1  0
 44 37  1  0
 28 20  1  0
M  END
$$$$
Mol_7135
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -1.0211   -2.6808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0348   -1.5506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  2  1  0
 17 12  1  0
  9  4  1  0
M  END
$$$$
Mol_7136
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
   -5.3028    2.3601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_7137
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7138
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7139
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
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 29  5  1  0
 22  9  1  0
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M  END
$$$$
Mol_7140
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
   -7.2392   -3.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8652   -2.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  2  0
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M  END
$$$$
Mol_7141
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
   -3.6618   -2.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5286    3.3845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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  4  5  1  0
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  2  9  1  0
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 20  9  1  0
 31 22  1  0
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M  END
$$$$
Mol_7142
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -5.5406    1.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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M  END
$$$$
Mol_7143
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
   -7.9278   -2.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_7144
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7145
     RDKit          2D

 41 44  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7146
     RDKit          2D

 41 44  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7147
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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 20  8  1  0
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M  END
$$$$
Mol_7148
     RDKit          2D

 41 45  0  0  0  0  0  0  0  0999 V2000
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 31 23  1  0
 40 33  1  0
M  END
$$$$
Mol_7149
     RDKit          2D

 38 41  0  0  0  0  0  0  0  0999 V2000
   -2.4851   -3.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0653   -2.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5533   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2257    0.4224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6216   -0.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2018    0.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0202    2.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8253    3.0660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
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M  END
$$$$
Mol_7150
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
   -8.0471   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0733   -1.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.0710    1.4283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6222    0.5603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1210    1.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0948    3.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6460    2.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9998    3.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4873    3.4044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.0494   -3.0859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
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 31 22  1  0
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M  END
$$$$
Mol_7151
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7152
     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7153
     RDKit          2D

 57 63  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7154
     RDKit          2D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7155
     RDKit          2D

 36 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7156
     RDKit          2D

 34 36  0  0  0  0  0  0  0  0999 V2000
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    5.1145    3.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0528    1.0472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
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 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
  8 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
  3 28  1  0
 28 29  1  0
 28 30  1  0
 28 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 33  2  1  0
 26  6  1  0
 20 11  1  0
M  END
$$$$
Mol_7157
     RDKit          2D

 68 71  0  0  0  0  0  0  0  0999 V2000
    2.1396    2.1752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3789    3.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9744    2.3431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  -13.6579   -3.8404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5525   -5.0444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1679   -4.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5724   -5.3898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
 11 10  1  1
 11 12  1  0
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 13 14  1  1
 14 15  1  0
 16 15  1  1
 16 17  1  0
 17 18  1  0
 18 19  1  1
 19 20  1  0
 18 21  1  0
 21 22  1  6
 21 23  1  0
 23 24  1  1
 23 25  1  0
 25 26  1  6
 13 27  1  0
 27 28  1  6
 27 29  1  0
 29 30  1  1
 29 31  1  0
 31 32  1  6
  2 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 37 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  2  0
 42 43  1  0
 42 44  1  0
 44 45  2  0
 44 46  1  0
 47 46  1  1
 47 48  1  0
 48 49  1  0
 49 50  1  1
 50 51  1  0
 52 51  1  1
 52 53  1  0
 53 54  1  0
 54 55  1  1
 55 56  1  0
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 57 58  1  6
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 49 63  1  0
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 65 66  1  1
 65 67  1  0
 67 68  1  6
 31 11  1  0
 67 47  1  0
 25 16  1  0
 61 52  1  0
M  END
$$$$
Mol_7158
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.4590    0.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1274    0.0892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0594   -1.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8636    0.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5320    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4640   -1.2915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2682    1.0150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0634    0.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2877   -1.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7675   -1.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1088   -0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8846    0.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5100   -1.2297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
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 10 11  1  0
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 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 13  8  1  0
 15 10  1  0
M  END
$$$$
Mol_7159
     RDKit          2D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -4.7501   -1.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6554   -0.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2199   -0.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8792   -2.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4437   -2.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6510   -1.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4093   -3.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
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 13  8  1  0
 21 16  1  0
M  END
$$$$
Mol_7160
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -6.4446    0.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6314    1.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0463    1.3298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3223   -0.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1834   -1.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  3  0
  3  4  1  0
  4  5  3  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
M  END
$$$$
Mol_7161
     RDKit          2D

 20 23  0  0  0  0  0  0  0  0999 V2000
    1.9033   -3.6288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7339   -2.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8337   -2.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6049   -0.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7743    0.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1725   -0.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_7162
     RDKit          2D

 40 45  0  0  0  0  0  0  0  0999 V2000
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 30 22  1  0
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M  END
$$$$
Mol_7163
     RDKit          2D

 75 80  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7164
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7165
     RDKit          2D

 54 59  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7166
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -8.4468   -0.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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 10 11  1  0
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 12 13  1  0
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M  END
$$$$
Mol_7167
     RDKit          2D

 53 58  0  0  0  0  0  0  0  0999 V2000
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 29 22  1  0
 42 34  1  0
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M  END
$$$$
Mol_7168
     RDKit          2D

 41 44  0  0  0  0  0  0  0  0999 V2000
   10.1138    0.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_7169
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
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    6.3983   -0.9898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4432    0.7212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4310    1.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4755   -0.9543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9348   -1.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
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 17 18  1  0
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 24  3  1  0
 23  7  1  0
 21 13  1  0
M  END
$$$$
Mol_7170
     RDKit          2D

 16 19  0  0  0  0  0  0  0  0999 V2000
    3.6574   -1.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1772   -0.8598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2269   -2.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2767   -3.1811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1669    0.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6471    0.5434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7094    1.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9718    2.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7752   -2.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  8  2  1  0
  5  3  1  0
 12  6  1  0
 15  6  1  0
M  END
$$$$
Mol_7171
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.9793   -1.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6947    0.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4102    1.6297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0131   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0527   -1.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3711   -2.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6499   -1.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6103   -0.3356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2919    0.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3763    1.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3367    2.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0183    3.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2605    2.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7388   -2.1095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0975    0.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
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  2 10  1  0
 10 11  2  0
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 23 24  2  0
 15 25  2  0
  9  4  1  0
 25 10  1  0
 24 19  1  0
M  END
$$$$
Mol_7172
     RDKit          2D

 32 34  0  0  0  0  0  0  0  0999 V2000
    2.1835   -2.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1879   -1.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4891   -0.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7859   -1.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0872   -0.7209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3840   -1.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6852   -0.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6896    0.7715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9908    1.5177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3928    1.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3972    3.0253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0915    0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3007    0.8095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.1956    1.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9032   -0.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2044   -1.4291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6063   -1.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6107   -2.9367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4102   -1.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4146   -2.9519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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 29 30  1  0
 18 31  2  0
 31 32  1  0
 12  5  1  0
 31 13  1  0
 29 20  1  0
M  END
$$$$
Mol_7173
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
    2.1475   -0.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7075   -0.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1254   -1.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3576   -2.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2939   -0.9703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7473    0.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7113    1.9261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2178    0.7224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2643    0.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2824    2.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7654    2.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7018    1.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1551   -0.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1192   -1.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6257   -0.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6721   -0.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 10  2  1  0
 16  3  1  0
 16  9  1  0
M  END
$$$$
Mol_7174
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.4772   -0.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2214   -0.9626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8831   -0.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8005    1.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5378    1.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7936    1.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7111   -0.4281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9669   -1.2485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3727   -1.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  7  9  2  0
  9  3  1  0
M  END
$$$$
Mol_7175
     RDKit          2D

 29 30  0  0  0  0  0  0  0  0999 V2000
    9.4146   -2.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4390   -0.8519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1523   -0.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8413   -0.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5546   -0.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9569    0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1767    1.4189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4878    2.1477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  4  5  1  0
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 28  3  1  0
 25 17  1  0
M  END
$$$$
Mol_7176
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -8.0105   -0.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4185   -1.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2968   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3989    0.3298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7460    0.9896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1539    1.1665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8069    0.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5619    1.3433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2148    0.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0302    1.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3772    0.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7931    2.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8688    0.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 22  8  1  0
 20 10  1  0
 18 12  2  0
M  END
$$$$
Mol_7177
     RDKit          2D

 31 31  0  0  0  0  0  0  0  0999 V2000
  -15.9991   -2.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6762   -1.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6271    0.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.9009    0.9562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3042    0.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0304    0.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7076    0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4337   -0.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1109    0.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8371   -0.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5142    0.6162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2404   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9175    0.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6437   -0.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9530   -0.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2759    0.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5497   -0.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8726    0.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1464   -0.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4692    0.1912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7431   -0.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6940   -2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0659    0.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1150    1.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4379    2.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7117    1.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6626    0.0213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9364   -0.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3397   -0.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2907   -2.1850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  6
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 30 31  1  0
 30 24  1  0
M  END
$$$$
Mol_7178
     RDKit          2D

 32 32  0  0  0  0  0  0  0  0999 V2000
  -16.6280    2.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3211    1.5019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3052    0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5962   -0.7617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9983   -0.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7072    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4003   -0.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1093    0.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8024   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5114    0.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2045   -0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9134    0.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6065   -0.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3155    0.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0086   -0.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2824    0.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5893   -0.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8803    0.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1872   -0.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4783    0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7852   -0.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0762    0.2496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3831   -0.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3990   -1.9865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6741    0.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6583    1.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9493    2.5407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2562    1.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2721    0.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5790   -0.4316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9810   -0.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9969   -1.9590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  1
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 29 31  2  0
 31 32  1  0
 31 25  1  0
M  END
$$$$
Mol_7179
     RDKit          2D

 64 69  0  0  0  0  0  0  0  0999 V2000
    1.2970    6.3508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0984    7.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5972    7.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2946    6.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7934    6.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4907    4.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6893    3.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3867    2.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8855    2.1864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5853    0.9786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2826   -0.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7814   -0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5829    0.8584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4788   -1.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9776   -1.7977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6774   -3.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3748   -4.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5733   -5.6015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8736   -4.3937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1786   -2.9455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4812   -1.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9824   -1.5574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1810   -2.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6822   -2.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9848   -1.4372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5140   -1.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3154   -2.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5116   -1.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7101    0.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2113   -0.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4099    1.2188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.0637   -0.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5077   -0.8683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5814    0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.0990    0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.7286    2.2743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.9879    5.1814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2065   -2.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8617   -3.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8808   -4.0332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5782   -5.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7767   -6.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7221   -6.5691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0769   -5.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7743   -6.7494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8784   -4.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3772   -4.2134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5948    7.4385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8974    8.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3986    8.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7012   10.1546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 11 10  1  6
 11 12  1  0
 12 13  1  1
 12 14  1  0
 14 15  1  6
 14 16  1  0
 16 17  1  1
 17 18  2  0
 17 19  1  0
 16 20  1  0
 20 21  1  0
 21 22  1  1
 23 22  1  6
 23 24  1  0
 24 25  1  1
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 29 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 39 41  1  0
 38 42  1  0
 42 43  1  0
 43 44  1  6
 44 45  2  0
 44 46  1  0
 43 47  1  0
 33 48  1  0
 48 49  1  1
 49 50  2  0
 49 51  1  0
 48 52  1  0
 24 53  1  0
 53 54  1  0
 54 55  1  1
 55 56  1  0
 54 57  1  0
 57 58  1  6
 57 59  1  0
 59 60  1  1
  5 61  2  0
 61 62  1  0
 62 63  2  0
 63 64  1  0
 63  3  1  0
 21 11  1  0
 59 23  1  0
 31 26  1  0
 47 36  1  0
 52 28  1  0
M  CHG  2  33   1  51  -1
M  END
$$$$
Mol_7180
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.0000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10  4  1  0
M  END
$$$$
Mol_7181
     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
   -3.6565    2.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6102    1.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0179    0.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9716   -1.0420    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1562    1.8451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9363   -0.3046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4084    1.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4833    2.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7771   -0.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2206   -0.4529    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
  6 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
M  END
$$$$
Mol_7182
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    4.1578   -1.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7651   -0.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9073    0.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2195    1.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9203    2.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8382   -2.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  3
  8  9  1  0
  9 10  1  0
 10 11  1  0
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 10 13  1  0
 13 14  2  3
 14 15  1  0
 15  2  1  0
M  END
$$$$
Mol_7183
     RDKit          2D

 37 41  0  0  0  0  0  0  0  0999 V2000
   -5.4901   -3.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7213   -1.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1407   -2.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4455   -0.4545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6700    0.8295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1703    0.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8945    2.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3282    0.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3288    0.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3954    2.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4461   -0.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2216   -1.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  6 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
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 31 32  1  0
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 33 34  1  0
 34 35  1  0
 15 36  1  0
 36 37  1  0
 37  2  1  0
 36  6  1  0
 34 12  1  0
 34 18  1  0
 31 19  1  0
M  END
$$$$
Mol_7184
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
    4.1623   -2.3768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -1.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3655    0.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7932    0.5561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1086    2.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5364    2.4826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9964    3.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5687    2.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2532    1.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8255    0.6425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5100   -0.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9177   -1.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0299   -0.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7145    1.1889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8267    2.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5113    3.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0836    4.1218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2544    1.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3667    2.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5699    0.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9976   -0.1912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4576   -0.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7731   -2.2041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2331   -2.7505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6608   -3.2105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1209   -3.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3068   -3.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4191   -4.3033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6223   -1.8304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
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 18 20  1  0
 20 21  1  0
 20 22  1  0
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 12 24  1  0
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 26 27  1  0
 27 28  1  0
 27 29  2  0
 29  2  1  0
  9  3  1  0
 29 11  1  0
 22 13  1  0
M  END
$$$$
Mol_7185
     RDKit          2D

 54 57  0  0  0  0  0  0  0  0999 V2000
   13.2751   -0.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6651    0.6222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1734    0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2915   -0.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7998   -0.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9180   -1.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4262   -1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5444   -2.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0526   -2.3902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1708   -3.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6790   -3.4467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0691   -2.0763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4227   -1.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6042    4.3372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5634    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4452    3.3630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
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  8 10  1  0
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 36 37  1  0
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 36 39  1  0
 39 40  1  0
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 49 50  1  0
 50 51  1  0
 51 52  1  0
 50 53  2  0
 53 54  1  0
 53  3  1  0
 47 12  1  0
 25 16  1  0
 42 31  1  0
M  END
$$$$
Mol_7186
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -3.6274   -1.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3683   -0.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2680    1.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4179    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1588   -0.7889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7497   -1.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5009   -2.6016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5998   -0.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8093   -0.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
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 15  7  1  0
 16  9  1  0
M  END
$$$$
Mol_7187
     RDKit          2D

 21 24  0  0  0  0  0  0  0  0999 V2000
    4.5925    2.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7018    0.8602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4609    0.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4133   -1.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5982   -2.4015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9727   -1.8997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1300   -0.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5104   -2.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9803   -1.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5757    0.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8800   -0.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1261    0.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0223    0.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
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  8  9  2  0
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 19 20  1  0
 18 21  1  0
 20  3  1  0
 20  7  1  0
 21  7  1  0
 21 10  1  0
M  END
$$$$
Mol_7188
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -3.7348   -1.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083   -0.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083    0.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4266    2.1658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4266    2.1658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3083    0.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3083   -0.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7348   -1.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4266   -1.7613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4266   -1.7613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  1  0
 12  2  1  0
M  END
$$$$
Mol_7189
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -2.7837    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7837    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4846    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1856    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1135    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1135   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1856   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4846   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7837   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7837   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7115   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7115    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  6 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
  8  3  1  0
 14  5  1  0
M  END
$$$$
Mol_7190
     RDKit          2D

 25 29  0  0  0  0  0  0  0  0999 V2000
    5.8670   -1.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6131   -0.4731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2058    0.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9586   -0.7871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7807    0.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3567   -0.3298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8998    0.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2823    1.0715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6242    2.5320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2629   -0.0636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7576    0.0626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3957    1.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0004   -2.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0259   -1.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7988    1.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2361    1.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3496    0.4094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
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 18  7  1  0
 24 19  1  0
 18 13  1  0
M  END
$$$$
Mol_7191
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -7.0230    0.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8060   -0.1202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4381    0.4954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2210   -0.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3718   -1.8738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8532    0.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6361   -0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7317   -0.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8825    1.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2503    2.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4674    1.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8352    1.8202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3166   -0.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5337   -1.1647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3830   -2.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9488   -0.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
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  9 10  1  0
 10 11  2  0
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 13 14  1  0
 14 15  1  0
 13 16  2  0
 16  8  1  0
M  END
$$$$
Mol_7192
     RDKit          2D

 38 42  0  0  0  0  0  0  0  0999 V2000
    6.4250   -2.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0969   -1.5591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2714   -0.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7740   -0.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9486    0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4512    0.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6428   -0.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1913   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1026    1.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2941    0.8336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0185    1.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0409    3.8034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4106    3.4251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4993    1.9277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4407    1.1231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 10 11  1  0
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 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
  9 22  1  0
 22 23  1  0
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 29 30  1  0
 28 31  2  0
 22 32  1  0
 32 33  1  0
 33 34  1  0
  5 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 37  3  1  0
 34  6  1  0
 34  9  1  0
 20 11  1  0
 31 23  1  0
M  END
$$$$
Mol_7193
     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
    5.4943   -2.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3644   -1.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0053   -0.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6930   -1.1180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5965   -0.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1382   -0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0456    0.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3748    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5938    2.6547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9256    0.3717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0634    1.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0981    2.9247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5644    2.6084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2312    1.2647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7200    1.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7436    2.1775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1454    1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1928    0.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
  7 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 23  3  1  0
 22  5  1  0
 18  7  1  0
 25 19  1  0
 18 13  1  0
M  END
$$$$
Mol_7194
     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
   -6.3341   -0.9114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9605   -1.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7518   -0.6257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9167    0.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7080    1.7535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8730    3.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2923    1.2468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1810    0.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -0.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8033   -1.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3905   -2.9862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2126   -1.0304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4565   -1.8686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3526   -3.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1595    0.4686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2380    1.5111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8744    2.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4323    3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3538    2.3367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7174    0.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2766   -1.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1731   -2.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3782   -1.2284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4312    0.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1131   -0.0315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3960   -0.5630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
  9 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 23  3  1  0
 24  7  1  0
 20  9  1  0
 26 21  1  0
 20 15  1  0
M  END
$$$$
Mol_7195
     RDKit          2D

 43 47  0  0  0  0  0  0  0  0999 V2000
    2.3258    2.1384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0721    0.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3185   -0.4597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8185   -0.4555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0722    0.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8258    2.1426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0795    3.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8332    4.7407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0869    6.0418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4205    3.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1668    4.7491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1742    2.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6742    2.1553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4278    0.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1815   -0.4470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6815   -0.4427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4278    0.8584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9278    0.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6741    2.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1741    2.1681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6815   -0.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1815   -0.4300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9352   -1.7354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6888   -3.0323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4352   -1.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6888   -3.0408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0648   -1.7609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3111   -3.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0575   -4.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8038   -5.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0501   -6.9485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3038   -5.6558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0574   -4.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5648   -1.7651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3185   -0.4682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8185   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5721    0.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0721    0.8202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8258    2.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3258    2.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5795    3.4310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5721    0.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
  3 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 31 33  1  0
 33 34  2  0
 27 35  1  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  1  0
 38 40  2  0
 40 41  1  0
 41 42  1  0
 41 43  2  0
 43  2  1  0
 14  5  1  0
 25 16  1  0
 34 28  1  0
 43 36  1  0
M  CHG  1  42  -1
M  END
$$$$
Mol_7196
     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
    1.7981    4.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4995    3.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9984    3.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6999    1.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9023    0.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6037   -0.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8062   -2.1291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3072   -2.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5097   -3.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0107   -3.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6907   -1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1897   -1.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8911   -0.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3901   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0915    0.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5905    0.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2919    2.1817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
M  END
$$$$
Mol_7197
     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
   -7.8363    2.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4146    1.3258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9570    0.9713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5353   -0.4682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0778   -0.8226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0420    0.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5845   -0.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1627   -1.5316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2948   -1.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7166   -3.3255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1741   -3.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5959   -5.1195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2098   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6673   -2.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0891   -4.3890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7031   -1.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1606   -2.2189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2813   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3170    0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7746    0.3055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8103    1.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3885    2.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4243    3.9150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8953    2.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8238   -0.0705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7880   -1.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3305   -0.8011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5488    0.9929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9705    2.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0652    3.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5227    3.1629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4281    2.7869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8498    4.2263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4638    1.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9213    2.0563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5710   -1.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1492   -2.9927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0285   -1.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0643   -2.2837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4503    0.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9078    0.5952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 18 26  1  0
 26 27  1  0
 27 28  2  0
  7 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 30 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
  4 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 41  2  1  0
 35  6  1  0
 28  9  1  0
 27 13  1  0
 25 19  1  0
M  END
$$$$
Mol_7198
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
    3.5412    0.1644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0600    0.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3809    1.7387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1010    1.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3377    0.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9978   -0.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2304   -2.1398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2622   -1.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5191   -0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8565   -1.3499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4384    0.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6953    1.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
  6  2  1  0
 11  4  1  0
M  END
$$$$
Mol_7199
     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -7.0389    1.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 16 11  1  0
M  END
$$$$
Mol_7200
     RDKit          2D

 24 29  0  0  0  0  0  0  0  0999 V2000
   -4.9457    1.9784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21  3  1  0
  6  4  1  0
 16  9  1  0
 21 19  1  0
 18  6  1  0
M  END
$$$$
Mol_7201
     RDKit          2D

 36 42  0  0  0  0  0  0  0  0999 V2000
   -6.7152    0.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_7202
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
   -9.8826    3.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0215    0.9691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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M  END
$$$$
Mol_7203
     RDKit          2D

 23 27  0  0  0  0  0  0  0  0999 V2000
   -2.7553    3.1698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_7204
     RDKit          2D

 50 49  0  0  0  0  0  0  0  0999 V2000
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   11.9771   -4.0460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6018    3.1752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5725    3.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6340    4.6766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9627    5.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0242    6.8714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7571    7.6741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3530    7.5675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6332    5.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5716    6.9780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  1
  5  7  1  0
  7  8  1  6
  8  9  1  0
  9 10  2  0
  9 11  1  0
 12 11  1  6
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 13 14  1  0
 14 15  2  0
 14 16  1  0
 12 17  1  0
 17 18  2  0
 17 19  1  0
  7 20  1  0
 20 21  1  1
 21 22  1  0
 22 23  1  6
 22 24  1  0
 24 25  1  0
 25 26  1  1
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  1
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 33 34  1  0
 34 35  1  6
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 36 37  1  6
 36 38  1  0
 20 39  1  0
 39 40  1  0
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 40 42  1  0
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 44 45  1  0
 45 46  2  0
 45 47  1  0
 43 48  1  0
 48 49  2  0
 48 50  1  0
M  END
$$$$
Mol_7205
     RDKit          2D

 21 24  0  0  0  0  0  0  0  0999 V2000
    4.2861    2.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9774    1.4317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6882    2.1985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3795    1.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9096    2.2324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2183    1.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2365    0.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7261    0.5741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5035   -0.9108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9487   -0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9683   -2.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2379   -0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0301   -0.3714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4457    0.3706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8125   -2.2923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9578   -0.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2470   -0.8351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 10 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 20  2  1  0
 15  4  1  0
 12  6  1  0
 14 12  1  0
M  END
$$$$
Mol_7206
     RDKit          2D

 49 48  0  0  0  0  0  0  0  0999 V2000
    8.3587   -1.6263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1329   -2.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7713   -1.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5455   -2.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1839   -2.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6629   -2.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0480   -0.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2738    0.2616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1380    1.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7764    2.3847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3638    2.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2280    4.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4538    4.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3180    6.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9564    7.1015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5438    7.3367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8664    4.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6864    0.0263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6242    1.0497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.6632   -0.9146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1606    1.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.2506   -1.1498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6294   -3.1966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0939   -4.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4555   -5.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5913   -6.5783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3655   -7.4429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9529   -7.2076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8681   -5.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4935   -4.6904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0039   -6.8135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  1
  5  7  1  0
  7  8  1  6
  8  9  1  0
  9 10  2  0
  9 11  1  0
 12 11  1  6
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 12 17  1  0
 17 18  2  0
 17 19  1  0
  7 20  1  0
 20 21  1  1
 21 22  1  0
 22 23  1  6
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
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 29 30  1  0
 30 31  1  1
 30 32  1  0
 32 33  1  0
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 33 35  1  0
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 20 38  1  0
 38 39  1  0
 39 40  2  0
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 42 41  1  1
 42 43  1  0
 43 44  1  0
 44 45  2  0
 44 46  1  0
 42 47  1  0
 47 48  2  0
 47 49  1  0
M  END
$$$$
Mol_7207
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    3.6537    1.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4879    0.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7225   -0.5815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5567   -1.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7912   -3.0069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0876    1.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0782    0.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4785    1.0315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6443    0.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7004   -1.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5882    1.2534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8101   -0.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  2  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
M  END
$$$$
Mol_7208
     RDKit          2D

 31 32  0  0  0  0  0  0  0  0999 V2000
   -3.2754    3.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8877    1.9912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0080    0.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5160    0.9306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9037    2.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5884    2.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4681    1.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9601    1.3938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8398    0.1788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3319    0.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2116   -0.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7036   -0.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5993   -2.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8558   -0.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6363   -0.2843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2486   -1.6537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7406   -1.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6242   -3.0202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0501   -2.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0477   -1.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6203   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1971    4.7327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9822    6.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1604    7.1456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5891    6.7734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3742    8.2579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5891    5.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3742    4.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9822    6.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1971    7.8857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1604    5.4728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
  7 14  2  0
 14 15  1  0
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 16 17  1  0
 17 18  1  0
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 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  2  0
 29 31  1  0
 21  3  1  0
 15  4  1  0
 21 17  2  0
M  END
$$$$
Mol_7209
     RDKit          2D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -3.5888   -1.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7276   -0.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9559   -1.7232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4561   -1.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2720   -0.3865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7717   -0.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5435   -1.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0433   -1.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7713   -0.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2711   -0.2857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9996    0.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4998    0.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7281    2.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2283    2.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4998    0.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9996    0.8746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0218    1.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3817    1.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1999   -0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2976   -1.1720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 16  2  1  0
 19  2  1  0
 15  5  1  0
 12  6  1  0
M  END
$$$$
Mol_7210
     RDKit          2D

 37 41  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7211
     RDKit          2D

 76 84  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7212
     RDKit          2D

 59 64  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7213
     RDKit          2D

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M  END
$$$$
Mol_7214
     RDKit          2D

 65 72  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7215
     RDKit          2D

 57 63  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7216
     RDKit          2D

 56 62  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7217
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7218
     RDKit          2D

 23 27  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7219
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7220
     RDKit          2D

 76 84  0  0  0  0  0  0  0  0999 V2000
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 42 35  1  0
M  END
$$$$
Mol_7221
     RDKit          2D

 63 70  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7222
     RDKit          2D

 77 85  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7223
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7224
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
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  9 10  1  0
 10  4  1  0
M  END
$$$$
Mol_7225
     RDKit          2D

 65 69  0  0  0  0  0  0  0  0999 V2000
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 54 56  1  0
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 45 58  1  0
 58 59  2  0
  8 60  1  0
 60 61  1  6
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 62 63  1  1
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 64 65  1  6
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 33 16  1  0
 59 42  1  0
 30 21  1  0
 56 47  1  0
M  END
$$$$
Mol_7226
     RDKit          2D

 72 77  0  0  0  0  0  0  0  0999 V2000
   -5.9407   -3.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2525   -5.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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  5  4  1  1
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 27 28  2  0
  5 29  1  0
 30 29  1  1
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 31 32  1  0
 32 33  1  1
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 32 35  1  0
 35 36  1  6
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 39 40  2  0
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 42 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  2  0
 35 47  1  0
 47 48  1  1
 47 49  1  0
 49 50  1  6
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 51 52  2  0
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 53 54  1  0
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 28 11  1  0
 49 30  1  0
 72 55  1  0
 25 16  1  0
 46 41  1  0
 69 60  1  0
M  END
$$$$
Mol_7227
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.0198   -1.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7332   -0.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4220   -1.3178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1354   -0.5466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1599    0.9532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4711    1.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7577    0.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0688    1.6394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1267    1.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1438    2.8575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7244    1.7668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1757   -1.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0864   -3.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  5  9  1  0
  9 10  1  0
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 14 15  2  0
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 16 17  1  0
 16 18  1  0
  7  2  1  0
 15  4  1  0
M  END
$$$$
Mol_7228
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  7 11  1  0
 11 12  2  0
 12  4  1  0
M  END
$$$$
Mol_7229
     RDKit          2D

 29 33  0  0  0  0  0  0  0  0999 V2000
   -6.1259    0.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7742   -0.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6779    2.9246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
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  9 10  1  0
 10 11  1  0
 11 12  1  0
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 22  9  1  0
 20 12  1  0
 22 20  1  0
M  END
$$$$
Mol_7230
     RDKit          2D

125141  0  0  0  0  0  0  0  0999 V2000
    1.3725    0.8508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_7231
     RDKit          2D

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M  END
$$$$
Mol_7232
     RDKit          2D

 35 40  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  2  0
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M  END
$$$$
Mol_7233
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
    4.0209    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5588    0.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1177   -0.8477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6555   -1.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3655   -0.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3109    0.3454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
M  END
$$$$
Mol_7234
     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
    5.6228    0.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2666   -0.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0335    0.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6773    0.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3668   -1.0193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8533   -2.3689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4077    1.6443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9073    1.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3385    0.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1053   -0.6804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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  6 10  1  0
 10 11  2  0
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 12 13  1  0
 12 14  1  0
 14  6  1  0
M  END
$$$$
Mol_7235
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.9614   -2.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9963   -1.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7480    3.0062    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_7236
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -3.2624   -0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9270    0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6677    0.3416    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270   -0.4734    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2624    0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
M  END
$$$$
Mol_7237
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.7965   -2.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2834   -0.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8062   -0.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2931    1.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8159    1.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3332    2.2964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5936    0.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5578   -0.3299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0350   -0.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4764   -0.9582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  8  9  2  0
  9 10  1  0
 10 11  2  0
  7  5  1  0
M  END
$$$$
Mol_7238
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -3.8589    0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4344    0.8808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3153   -0.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0926   -2.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9062   -1.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4062   -1.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1505    0.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3948    1.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8949    1.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1505    0.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7364    1.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 10 11  1  0
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 11  3  1  0
 11  6  1  0
M  END
$$$$
Mol_7239
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -7.2371    1.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7443    1.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3781    0.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5047   -0.8055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1384   -1.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3544   -1.7316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2278   -2.9511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9738   -0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4666   -0.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0860    1.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5788    1.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1982    2.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
M  END
$$$$
Mol_7240
     RDKit          2D

 23 23  0  0  0  0  0  0  0  0999 V2000
   -0.5487    2.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2755    1.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7730    1.2648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5972    0.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0946    0.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7679    1.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9437    2.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2654    1.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0896    0.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4163   -1.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9188   -1.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2647   -2.6142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5415   -1.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3978   -0.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0660   -1.6775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.3876   -0.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2118    0.7420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7093    0.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5335    1.9081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
  2 14  2  3
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  1  0
 17 19  2  3
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 11  5  1  0
M  END
$$$$
Mol_7241
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -3.8394   -0.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3411   -0.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6549   -1.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5291    0.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0309    0.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7811    2.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6553   -0.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1536   -0.4946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8398   -1.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9656    0.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
M  END
$$$$
Mol_7242
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -2.8157    0.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7770   -0.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3205   -0.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8257   -1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1002   -0.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    1.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2456    1.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  3  1  0
M  END
$$$$
Mol_7243
     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.3881    3.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1357    1.9674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6357    1.9646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833    0.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6309   -0.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3785   -1.9339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1309   -0.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8785   -1.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3785   -1.9284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1215   -1.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8691   -0.6252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0199   -1.5873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0164    0.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4268   -0.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7532    1.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    0.6725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    0.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 11 16  1  0
 16 17  1  0
 17  2  1  0
 17  7  1  0
M  END
$$$$
Mol_7244
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.3131   -2.7288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9683   -1.2690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5316   -0.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5602   -1.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9969   -1.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3417    0.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7784    0.4561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2499    1.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1867    0.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2786    1.6507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7152    1.2194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9337    3.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
  9  3  1  0
M  END
$$$$
Mol_7245
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
   10.0150    3.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4495    2.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9636    1.8194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3981    0.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9122    0.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3467   -1.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8607   -1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2952   -2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8093   -2.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8888   -1.7789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5971   -1.9838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5175   -0.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0035   -1.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9239    0.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4098   -0.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3303    1.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8162    0.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3817   -0.4346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7366    2.1391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2226    1.9342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
M  END
$$$$
Mol_7246
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.4844    1.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4064    0.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9641    0.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8860   -0.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2502   -2.0768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5562   -0.2095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9205    1.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3627    1.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4408    0.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0766   -0.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6343   -1.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
M  END
$$$$
Mol_7247
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
  -11.2167    0.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8225    1.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6461    0.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2520    0.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0756   -0.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6814    0.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5050   -0.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1109   -0.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9345   -0.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4597   -0.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6361   -1.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0302   -0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2480    0.6605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2066   -1.7543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6008   -1.2008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7772   -2.1315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8185    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2127    0.8367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4305    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8246    2.8743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
M  END
$$$$
Mol_7248
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.5619   -0.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0697   -0.6477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1910   -1.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3012   -1.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9146   -0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4068   -0.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2855   -1.4040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0203    1.1805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0359    0.8743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6494    2.2431    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4562    0.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3349    1.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 11  2  1  0
M  END
$$$$
Mol_7249
     RDKit          2D

 24 24  0  0  0  0  0  0  0  0999 V2000
  -13.1392    0.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8673   -0.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5427    0.5267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2708   -0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9462    0.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6743   -0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3497    0.3443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0778   -0.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7533    0.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4814   -0.5421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1568    0.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1151   -0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625   -2.1324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4397    0.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7116   -0.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0362   -0.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0888    1.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4134    2.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6853    1.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0099    2.0912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6326   -0.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9045   -0.9069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8519   -2.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3081   -0.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  2  0
 24 16  1  0
M  END
$$$$
Mol_7250
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
   -9.0933   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933   -0.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
M  END
$$$$
Mol_7251
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -2.2458   -3.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0888   -2.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3022   -1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1452    0.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7748    0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5614   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7184   -1.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3965   -0.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2780   -1.8769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6956    0.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9946   -0.6636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2937    0.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5927   -0.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2939    1.5863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2134    0.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2498    2.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9639    3.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1772    2.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6039    2.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
  8 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
  7  2  1  0
 15  5  1  0
 18  5  1  0
M  END
$$$$
Mol_7252
     RDKit          2D

 38 44  0  0  0  0  0  0  0  0999 V2000
   -1.4875    4.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5088    3.1344    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -0.8402    1.6715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0402    0.4027    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -1.1768   -0.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4228    0.0712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6916    0.8713    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    3.9163    0.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0230    2.3342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2230    3.6030    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    3.0890    4.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7600    3.9345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1007    2.0569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1331   -0.8283    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    3.4647   -1.5188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5326   -3.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8643   -3.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1280   -2.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0601   -1.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7285   -0.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7392    0.9703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2405    2.6658    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -4.4652    3.5319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9717    3.4659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5720    1.2029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7719   -0.0659    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -3.6380   -1.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1316   -1.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9977   -2.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3701   -3.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8764   -3.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0104   -2.6530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3090   -0.3974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9718   -1.3347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5089   -1.6662    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -0.2553   -3.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7599   -0.8661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9856   -1.7944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 14 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 22 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 26 33  1  0
 26 34  1  0
 34 35  1  0
 35 36  1  0
 35 37  1  0
 35 38  1  0
 12  2  1  0
 38 14  1  0
 24  2  1  0
 32 27  1  0
 33  4  1  0
 37  7  1  0
 20 15  1  0
M  END
$$$$
Mol_7253
     RDKit          2D

 47 49  0  0  0  0  0  0  0  0999 V2000
    5.5971   -4.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1816   -4.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0440   -5.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9038   -2.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4883   -2.3009    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    2.3752   -3.7966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0143   -2.5787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2245   -1.7328    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -1.4800   -2.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3970   -4.0513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6525   -4.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0584   -4.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6985   -2.0106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9373   -1.1648    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -3.4337   -2.5803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4330   -1.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2789   -2.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7746   -2.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6290   -3.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    0.3093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3693    1.5480    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -3.1900    2.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6877    2.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5085    3.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3647    1.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0657    2.4540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5398    2.7319    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    0.8899    4.0838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6774    3.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3996    5.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5372    6.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9841    5.6799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7785    1.8860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0564    0.4120    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    4.3119    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6504    0.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9060    1.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7335   -0.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3342   -1.0621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8176    1.2578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3435    0.9800    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -0.4772    2.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9749    2.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7957    3.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6519    0.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5023   -0.2588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8952    1.8258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
  8 13  1  0
 13 14  1  0
 14 15  1  0
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 16 17  1  0
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 17 19  1  0
 14 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 21 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 27 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 36 38  1  0
 34 39  1  0
 34 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 43 45  1  0
 41 46  1  0
 41 47  1  0
 39  5  1  0
 46  8  1  0
 47 21  1  0
M  END
$$$$
Mol_7254
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.7475   -0.1561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5934   -1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1866   -0.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0613   -1.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2385   -0.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7182    0.9101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2195    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7101    2.0273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  3  1  0
M  END
$$$$
Mol_7255
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -3.7389    0.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2867    0.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2354   -0.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2168   -0.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3741   -1.2337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6393   -0.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2640    1.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7668    1.1162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  4  1  0
M  END
$$$$
Mol_7256
     RDKit          2D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -4.4242    0.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625    0.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3758   -1.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8815   -0.8872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2159   -1.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6502   -1.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9870   -0.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4213    0.4303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8555    0.8695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8895    1.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5447    0.5745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8308    1.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  3  0
  7 10  2  0
 10 11  1  0
 11 12  1  0
 12  2  2  0
 11  4  1  0
M  END
$$$$
Mol_7257
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.8596    0.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1919   -0.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0213   -1.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6948   -0.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0467   -1.9221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3200   -1.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8869   -0.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0549   -1.6636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7189    1.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6560    1.9174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8628    1.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2377    1.6264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9258    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3006    1.6086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4686    0.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8435   -0.4818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2618   -0.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4298   -2.2633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
  9 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 11  4  1  0
 17  7  1  0
M  END
$$$$
Mol_7258
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
   10.2800    0.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0718    0.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    0.6462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4896   -0.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1156    0.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9074   -0.5298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5335    0.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3252   -0.8169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0487   -0.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2569   -1.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6309   -0.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8391   -1.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2130   -0.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4213   -1.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3788    0.7017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7527    1.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9185    2.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9610    0.4146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
M  END
$$$$
Mol_7259
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.1546    0.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0963   -0.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4878   -1.7359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6466    0.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2551    1.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1946    1.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    0.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8615   -0.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9197   -1.6440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4117   -0.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10  4  1  0
M  END
$$$$
Mol_7260
     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.1492   -0.4401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6886   -0.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2542    1.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2064    1.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2325    0.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6931    0.9264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7981   -0.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8243   -1.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -1.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9  2  1  0
M  END
$$$$
Mol_7261
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -2.9396   -2.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4928   -1.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5095    0.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0628    1.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5993    1.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5826    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0114    2.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0294   -0.7194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1944   -1.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3975   -0.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9173    0.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3383    1.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8186   -0.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2988   -1.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2396    0.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
  8  2  1  0
 13 10  1  0
 11  6  1  0
M  END
$$$$
Mol_7262
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -2.6786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    1.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.8214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    1.8214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    1.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -1.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  2  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  8  3  1  0
 14  9  1  0
M  END
$$$$
Mol_7263
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.3385   -1.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0218   -0.5652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9857    0.9344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2664    1.7154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7411   -1.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5756   -0.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8562   -1.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1729   -0.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2089    0.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9283    1.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6116    0.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  2  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
M  END
$$$$
Mol_7264
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
    9.7809    1.9061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8028    0.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5149   -0.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5369   -1.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2050    0.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9171   -0.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6072    0.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3193   -0.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0094    0.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7215   -0.4770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5884    0.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8763   -0.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1861    0.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4741   -0.5531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7839    0.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0719   -0.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3817    0.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4037    1.6395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6696   -0.6293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9795    0.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
M  END
$$$$
Mol_7265
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
    3.9924    1.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8169    0.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4390   -0.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2635   -1.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2366    0.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1412   -0.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3436    0.7075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7214    0.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3143    1.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1286   -1.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0993   -0.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
M  END
$$$$
Mol_7266
     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -2.5500    1.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8894    0.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3245    0.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7938   -0.5457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333   -2.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3588   -0.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7368   -1.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1719   -0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2675   -1.7216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5114    0.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9464    1.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4158    1.7885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
M  END
$$$$
Mol_7267
     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.4369   -1.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9640   -1.9070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9820   -0.7731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4730    0.6443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4910    1.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9820    3.1955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9820    1.4947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4730    0.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9459   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4369   -1.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4910   -1.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  2  0
 11  3  1  0
M  END
$$$$
Mol_7268
     RDKit          2D

 27 28  0  0  0  0  0  0  0  0999 V2000
   -6.4873    1.6532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5122    0.5134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0117   -0.9010    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4261   -0.4015    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5112   -2.3154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9859   -2.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5973   -1.4005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4576   -0.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7322    1.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5924    2.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1780    1.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0382    2.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3762    2.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6508    0.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0652    0.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2050    1.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6193    0.5020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8939   -0.9727    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.1685   -2.4473    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4193   -1.2473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9198   -2.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3686   -0.6981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3437   -1.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9304    2.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5160    2.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9034    0.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0432   -0.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  3  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 18 22  1  0
 22 23  1  0
 16 24  1  0
 24 25  2  0
 11 26  1  0
 26 27  2  0
 27  8  1  0
 25 13  1  0
M  END
$$$$
Mol_7269
     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -4.2453   -2.6819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0673   -1.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2682   -0.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0902    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7114    1.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5105    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1317    1.4781    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0692    0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1088   -0.9102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4481    1.1698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6489    0.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4710   -1.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6718   -2.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0507   -1.5267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2287   -0.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0278    0.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2058    2.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6885   -0.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
  6 18  2  0
 18  2  1  0
 16 11  1  0
M  END
$$$$
Mol_7270
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
   -9.3369    2.2117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0254    1.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0002   -0.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6887   -0.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6635   -2.2440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4025    0.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0910   -0.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8048    0.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4933   -0.6568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2071    0.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1044   -0.6131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3906    0.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7021   -0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9883    0.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2998   -0.5257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5861    0.2461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5608    1.7459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8975   -0.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1838    0.2898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
M  END
$$$$
Mol_7271
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
    2.6638   -1.7191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8631   -0.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5613    0.8769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0601    0.9361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606    2.1454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2618    2.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4364    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3643   -0.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1282   -1.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9346   -2.9852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5430   -2.4251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8148   -1.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9858   -0.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9273    0.9234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1990    1.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4348    2.3403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
  8  2  1  0
  9  6  1  0
 14  7  1  0
M  END
$$$$
Mol_7272
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
   -9.0933    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
M  END
$$$$
Mol_7273
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
  -12.2170    0.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9049   -0.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6193    0.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3072   -0.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0217    0.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7096   -0.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4240    0.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1119   -0.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8263    0.4178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5142   -0.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7714    0.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0834   -0.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3690    0.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6811   -0.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667    0.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788   -0.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5644    0.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8764   -0.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9029   -1.6253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1620    0.6473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
M  END
$$$$
Mol_7274
     RDKit          2D

 39 42  0  0  0  0  0  0  0  0999 V2000
   -5.1648   -4.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7873   -4.2710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6128   -2.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8158   -1.8852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2354   -2.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0609   -0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5583   -0.7844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4064    0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7839    0.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2304    2.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7279    1.9286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5569    3.3558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2453    4.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1905    5.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8503    5.0815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0767    3.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3151    1.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1218    1.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4673   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -0.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4505    0.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8300    0.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1683    1.9968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0032    3.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3415    4.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4999    3.1429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3299    0.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_7275
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -3.0851    0.4695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0677   -0.6327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
M  END
$$$$
Mol_7276
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -3.4967    1.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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  7  2  1  0
 15  8  1  0
 13  5  1  0
M  END
$$$$
Mol_7277
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -0.4950    1.6576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7925    0.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
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  4  5  2  0
  4  6  1  0
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  7  8  1  0
  7  9  2  0
  9 10  1  0
M  END
$$$$
Mol_7278
     RDKit          2D

 20 23  0  0  0  0  0  0  0  0999 V2000
    1.1532   -1.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 10  1  0
 11  2  1  0
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M  END
$$$$
Mol_7279
     RDKit          2D

 64 71  0  0  0  0  0  0  0  0999 V2000
   -3.6305   -5.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4892   -4.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_7280
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
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    4.8385   -1.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5091    0.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1646   -1.1754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
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  3  5  1  0
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  6  7  1  0
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  7  2  1  0
 25 19  1  0
 25  6  1  0
M  END
$$$$
Mol_7281
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.8689    3.6337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9040    2.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1857   -0.3857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8228    2.1331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0941   -1.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9340   -1.3081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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 20  2  1  0
 18 12  1  0
 24 19  1  0
M  END
$$$$
Mol_7282
     RDKit          2D

 26 27  0  0  0  0  0  0  0  0999 V2000
    2.0230    2.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5231    2.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3576    3.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0955   -0.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9480    0.3677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7488   -2.1039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0297   -0.7169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3596    1.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
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 26  2  1  0
 26  6  1  0
M  END
$$$$
Mol_7283
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.4726    2.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9748    2.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1612    3.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7024    5.2033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2887    3.4200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0798   -1.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0278    1.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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 27  2  1  0
 27  6  1  0
 13  7  1  0
M  END
$$$$
Mol_7284
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -7.2406   -0.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9763   -0.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3808   -0.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8523    1.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4119    2.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6029    2.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0496   -0.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
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  9 20  2  0
 20  4  1  0
 19 10  1  0
M  END
$$$$
Mol_7285
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
    5.5141    0.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8201   -1.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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 26  7  1  0
 19 12  1  0
 26 20  1  0
M  END
$$$$
Mol_7286
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
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  4  6  1  0
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M  END
$$$$
Mol_7287
     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -5.0384   -3.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0908    2.5965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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 28 19  1  0
M  END
$$$$
Mol_7288
     RDKit          2D

 27 28  0  0  0  0  0  0  0  0999 V2000
   -6.3350    0.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0709    1.3851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0527    3.1166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1441    0.8106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 27  4  1  0
 27  9  1  0
M  END
$$$$
Mol_7289
     RDKit          2D

 27 28  0  0  0  0  0  0  0  0999 V2000
    5.1648   -3.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6649   -3.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7046   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 27  4  1  0
 27  9  1  0
M  END
$$$$
Mol_7290
     RDKit          2D

 26 27  0  0  0  0  0  0  0  0999 V2000
   -4.4674    4.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9875    4.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0289    1.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 26  6  1  0
 26 17  2  0
M  END
$$$$
Mol_7291
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -4.9493    1.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 16  6  1  0
 13  8  1  0
M  END
$$$$
Mol_7292
     RDKit          2D

 50 49  0  0  0  0  0  0  0  0999 V2000
  -31.2030   -0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 49 50  1  0
M  END
$$$$
Mol_7293
     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
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 21  4  1  0
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 28 19  1  0
M  END
$$$$
Mol_7294
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.5144   -2.9600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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 16  2  1  0
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 16 10  1  0
M  END
$$$$
Mol_7295
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.1378   -2.7346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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 16 10  1  0
M  END
$$$$
Mol_7296
     RDKit          2D

 40 42  0  0  0  0  0  0  0  0999 V2000
    2.0826   -3.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_7297
     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7298
     RDKit          2D

 40 39  0  0  0  0  0  0  0  0999 V2000
   20.8759    5.9742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_7299
     RDKit          2D

 35 39  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_7300
     RDKit          2D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7301
     RDKit          2D

 47 52  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7302
     RDKit          2D

 45 50  0  0  0  0  0  0  0  0999 V2000
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 39 19  1  0
 34 25  1  0
M  END
$$$$
Mol_7303
     RDKit          2D

 67 74  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7304
     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
   -8.8677    0.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_7305
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7306
     RDKit          2D

 44 49  0  0  0  0  0  0  0  0999 V2000
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 33  4  1  0
 31  7  1  0
 28  8  1  0
 23 14  1  0
M  END
$$$$
Mol_7307
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
    5.0672    0.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6036    1.4497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2135   -0.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8536   -0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
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 12 13  1  0
  8 14  1  0
  4 15  2  0
 15  1  1  0
 14  5  1  0
 13  9  1  0
M  END
$$$$
Mol_7308
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -5.2744    1.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2036   -0.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1317    1.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9391    2.2557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5768    1.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1635   -0.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4540   -2.7503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
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  9 10  2  0
 10 11  1  0
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 10 13  1  0
 13 14  2  0
 14 15  1  0
 14  6  1  0
M  END
$$$$
Mol_7309
     RDKit          2D

 30 34  0  0  0  0  0  0  0  0999 V2000
   -4.3999    4.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1728    1.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0154    2.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6104    1.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3628    0.3775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2054    1.3316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9578   -0.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1302    0.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3041   -0.3554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3520    2.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
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  9 10  1  0
 10 11  1  0
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 13 14  1  0
 14 15  2  0
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  5 28  1  0
 28 29  1  0
 28 30  2  0
 30  2  1  0
 26  8  1  0
 26 11  1  0
 23 12  1  0
 21 15  1  0
M  END
$$$$
Mol_7310
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -3.6855    3.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5187    1.9522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4660   -2.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9628   -2.3769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2927   -1.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6227   -0.0778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0282    1.6587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5276   -2.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0244   -1.9855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6881   -0.6403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1849   -0.5425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  5 19  2  0
 19 20  1  0
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 21  3  1  0
 17  6  1  0
 16  9  1  0
M  END
$$$$
Mol_7311
     RDKit          2D

 48 53  0  0  0  0  0  0  0  0999 V2000
    4.9260   -3.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9482   -1.9518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5086   -0.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0246   -1.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5628   -0.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1232    0.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1010   -0.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_7312
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
    3.2587    1.8051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8765   -2.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0763    2.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 13  8  1  0
M  END
$$$$
Mol_7313
     RDKit          2D

 56 62  0  0  0  0  0  0  0  0999 V2000
   -3.3402   -5.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_7314
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7315
     RDKit          2D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7316
     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7317
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7318
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7319
     RDKit          2D

 56 62  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7320
     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
   -9.7463    0.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3584    0.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5520   -1.2478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9254   -3.0829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
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 17 18  1  0
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 19 20  1  0
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M  END
$$$$
Mol_7321
     RDKit          2D

 18 21  0  0  0  0  0  0  0  0999 V2000
   -0.6196   -3.2351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
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 18 10  2  0
 17 12  1  0
M  END
$$$$
Mol_7322
     RDKit          2D

 77 84  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7323
     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -4.7932   -0.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4424    0.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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  3  4  1  0
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  6  8  1  0
  8  9  2  0
M  END
$$$$
Mol_7324
     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -7.0004    0.9787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 13  2  0
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M  END
$$$$
Mol_7325
     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
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 11  4  1  0
 22 12  2  0
 21 14  1  0
M  END
$$$$
Mol_7326
     RDKit          2D

 72 81  0  0  0  0  0  0  0  0999 V2000
  -17.3242   -1.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_7327
     RDKit          2D

 71 78  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7328
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7329
     RDKit          2D

 27 27  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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M  END
$$$$
Mol_7330
     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7331
     RDKit          2D

 66 73  0  0  0  0  0  0  0  0999 V2000
   -6.5317   -5.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_7332
     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7333
     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7334
     RDKit          2D

 66 72  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7335
     RDKit          2D

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M  END
$$$$
Mol_7336
     RDKit          2D

 48 53  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7337
     RDKit          2D

 85 95  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7338
     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    1.9598    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3858   -1.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3858    1.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  1  1  0
M  END
$$$$
Mol_7339
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -1.5350   -2.9294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3120   -1.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4353    1.9068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661    1.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3070    0.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7031    1.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8762    0.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2723    0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6533   -1.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0840   -0.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  7 12  2  0
 12  2  1  0
M  END
$$$$
Mol_7340
     RDKit          2D

 10 11  0  0  0  0  0  0  0  0999 V2000
    3.6733    0.5058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2669    1.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1120    0.0702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075   -1.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1866   -1.9802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5970   -0.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6926    1.0434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2984    1.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3412    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  3  1  0
 10  6  1  0
M  END
$$$$
Mol_7341
     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -4.9367   -2.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7051   -1.5919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0101    0.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  5 20  1  0
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 19 11  1  0
 19 14  1  0
M  END
$$$$
Mol_7342
     RDKit          2D

 29 30  0  0  0  0  0  0  0  0999 V2000
    7.1424   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8724   -3.3228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4898   -1.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8615    1.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 29  8  1  0
 29 11  1  0
M  END
$$$$
Mol_7343
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -2.0785    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7794   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
M  END
$$$$
Mol_7344
     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.1877   -2.8029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4514   -1.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2151   -0.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5061   -0.9686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9398    2.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6171   -0.1776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4786    1.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2424    2.3930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 16 17  1  0
  4 18  1  0
 18 19  1  0
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 17 10  1  0
 17 13  1  0
M  END
$$$$
Mol_7345
     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.0420    3.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1935    2.0079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3360    0.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9920   -0.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2289   -1.4309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8714    1.7616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4017   -0.3808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1435   -1.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7904   -3.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6480   -1.7030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
  5 19  1  0
 19 20  1  0
 19 21  1  0
 18 11  1  0
 18 14  1  0
M  END
$$$$
Mol_7346
     RDKit          2D

 11 12  0  0  0  0  0  0  0  0999 V2000
    2.7722   -1.2527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5551    0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1612    0.7856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7901    2.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7068    2.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2609    0.9412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5284    0.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1574   -1.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6604   -1.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1416   -2.6779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1064   -0.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11  3  1  0
 11  6  1  0
M  END
$$$$
Mol_7347
     RDKit          2D

 25 26  0  0  0  0  0  0  0  0999 V2000
   -7.5829    1.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4633    0.8203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0390    1.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9194    0.2924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2242   -1.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4951    0.7629    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3756   -0.2354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6803   -1.7041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0488    0.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3535    1.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7778    2.1741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8974    1.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3217    1.6463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4413    0.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1365   -0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2561   -1.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6804   -1.3486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9852    0.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8656    1.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5926   -0.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1683   -0.7633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8636   -2.2320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7681   -0.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6485   -1.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1924   -1.1189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 12 20  2  0
 20 21  1  0
 21 22  2  0
  2 23  1  0
 23 24  2  0
 23 25  1  0
 21  9  1  0
 19 14  1  0
M  END
$$$$
Mol_7348
     RDKit          2D

  9 10  0  0  0  0  0  0  0  0999 V2000
   -2.6008   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7191   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2925   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0065   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3055   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3055    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0065    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2925    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7191    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9  1  1  0
  8  3  1  0
M  END
$$$$
Mol_7349
     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
    4.8945    4.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1645    2.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0218    1.9275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2918    0.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1490   -0.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4191   -1.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2763   -2.9668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8635   -2.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2793   -3.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6921   -2.9307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9622   -1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3750   -0.9513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6451    0.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0579    1.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3280    2.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7408    3.0074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
M  END
$$$$
Mol_7350
     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
    4.4129    3.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219    1.9563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1214    0.5813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6120    0.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2304   -0.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4372   -1.5164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0237    0.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1920    1.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6488   -0.3340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5579    0.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9329   -0.0425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2561   -1.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7490   -1.6526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3485   -0.2776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4710   -1.2727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6418    0.4823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3186    1.9471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8257    2.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2261    0.7174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3395   -1.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9390   -3.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8489   -1.6638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
  5 20  1  0
 20 21  1  0
 20 22  1  0
 19 11  1  0
 19 14  1  0
M  CHG  2  14   1  15  -1
M  END
$$$$
Mol_7351
     RDKit          2D

 30 31  0  0  0  0  0  0  0  0999 V2000
    6.9273   -2.9940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6232   -3.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3293   -2.9765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0252   -3.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3394   -1.4766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6434   -0.7353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0454   -0.7179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0555    0.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2749    1.6556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8210    3.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3210    3.0954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7941    4.5188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1134    3.9852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1060    3.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3479    1.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5419    0.4744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0326    0.6412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9224   -0.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3215   -1.9407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4131   -0.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9038   -0.2327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5799   -1.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9543   -2.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3723   -2.7800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5391   -4.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2463    1.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7370    1.2580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7595    1.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0794    2.5819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8479    1.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 20 26  1  0
 26 27  1  0
 26 28  1  0
 26 29  1  0
 15 30  1  0
 30  8  1  0
 30 11  1  0
M  CHG  2  11   1  12  -1
M  END
$$$$
Mol_7352
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -4.2506   -3.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4356   -2.1204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1187   -0.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6167   -0.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3037    0.4743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5630    1.2893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0444   -0.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1205   -1.8387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7089    0.3424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5503   -0.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8858    0.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1181    1.6924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5993    1.9294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2823    0.5940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3413    1.6563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6199   -0.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3876   -1.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9064   -1.8038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2276   -3.1414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2234   -0.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4887    1.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0696    1.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7480    2.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6737    2.9929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
  5 21  1  0
 21 22  1  0
 21 23  1  0
 21 24  1  0
 20 11  1  0
 20 14  1  0
M  CHG  2  14   1  15  -1
M  END
$$$$
Mol_7353
     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
    8.4468   -0.2996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1411    0.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488   -0.3228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5431    0.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2508   -0.3460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9451    0.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6528   -0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6528    0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9451   -0.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2508    0.3460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5431   -0.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8488    0.3228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1411   -0.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4468    0.2996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
M  END
$$$$
Mol_7354
     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -2.2699    2.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9980    1.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5846    0.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1396    0.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1127    1.5216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1666   -0.7616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6687   -2.1751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6915   -0.4897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2816   -1.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7567   -1.3595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8438   -2.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1627   -1.6787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8908   -0.2035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3778   -0.4008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    1.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4509    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1320    1.4689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7788    2.1161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4039   -0.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2812   -0.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6947   -0.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0093   -2.0682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
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  9 10  1  0
 10 11  2  0
 11 12  1  0
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 13 15  1  0
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 16 17  1  0
 17 18  1  0
 17 19  1  0
  4 20  1  0
 20 21  1  0
 20 22  1  0
 19 10  1  0
 19 13  1  0
M  CHG  2  13   1  14  -1
M  END
$$$$
Mol_7355
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
    4.2303   -4.0025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4596   -2.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8581   -1.9775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2905   -1.5803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5199   -0.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8539    0.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6139    2.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1316    2.2979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0671    3.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7330    2.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9730    1.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0838    0.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5341    0.5068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5909   -0.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1975   -2.0052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0412   -0.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4915    0.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6582    1.2756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7227    2.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2107    1.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4242   -1.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8717   -2.0184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3598   -2.6818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4554    0.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 16 21  1  0
 21 22  1  0
 21 23  1  0
 11 24  1  0
 24  5  1  0
 24  8  1  0
M  END
$$$$
Mol_7356
     RDKit          2D

 16 18  0  0  0  0  0  0  0  0999 V2000
    3.0858   -2.9590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5411   -1.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3517   -0.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4018    0.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    0.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9180    1.8145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1718    2.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4219    2.4886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6758    1.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5896    0.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8435   -0.6556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0201   -1.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6668    0.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0973   -1.4790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2497   -0.5064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0903   -1.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
 10 15  1  0
 15 16  1  0
 16  2  1  0
 15  5  1  0
 16  5  1  0
M  END
$$$$
Mol_7357
     RDKit          2D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -7.6168    1.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2614    2.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1402    3.5336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0272    1.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1484   -0.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9142   -1.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5588   -0.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3246   -1.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0308   -0.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2650   -1.5815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6204   -0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8545   -1.7915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2099   -1.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4441   -2.0014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3311    0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6865    0.9888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9207    0.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0970    1.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2182    2.6938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7416    0.5561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5074    1.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6286    2.9038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1520    0.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0822    1.6186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9610    3.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8012   -3.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0354   -2.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3908   -3.2993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
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 18 19  1  0
 18 20  2  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
  8 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 28  6  1  0
 23  9  2  0
 20 11  1  0
M  END
$$$$
Mol_7358
     RDKit          2D

 31 32  0  0  0  0  0  0  0  0999 V2000
    0.9910   -3.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1843   -2.5235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6210   -2.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167   -4.3704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4751   -1.7215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5662   -0.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5323    0.9714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3863    2.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8020    2.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4774    3.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0407    3.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2290    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6657    2.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0107    3.9911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1951    0.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6109    0.1049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7480    1.0832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4694    2.5571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1637    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6681   -0.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6594    2.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5795    0.0919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7137   -0.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1403   -1.8259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6352   -1.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5853   -0.5420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4893   -2.9360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9842   -2.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8483   -4.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1504   -1.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
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 18 20  1  0
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 20 23  1  0
 16 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 24 31  1  0
 31  2  1  0
 31  6  1  0
M  END
$$$$
Mol_7359
     RDKit          2D

 24 25  0  0  0  0  0  0  0  0999 V2000
    2.1629    2.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6657    2.4478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1393    3.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4115    5.1087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5918    3.3390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6845    1.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1370    1.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0920    0.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4872    0.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1847   -1.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3797   -2.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9845   -3.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5320   -2.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2730   -3.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4206   -5.2242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4230   -1.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5157    0.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9682    0.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0188   -0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6169   -2.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4713   -0.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5219   -1.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8732    1.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2893    1.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
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 10 11  1  0
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 16 17  1  0
 17 18  1  0
 18 19  1  0
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 19 21  1  0
 21 22  1  0
 21 23  1  0
 17 24  1  0
 24  2  1  0
 24  6  1  0
M  END
$$$$
Mol_7360
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
    4.2756   -3.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6487   -2.3707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5770   -1.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1322   -1.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0606   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3842   -1.0783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4559   -0.0288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9006   -0.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9723    0.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4171    0.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7901   -1.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2349   -1.6422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7184   -2.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2737   -1.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0828    1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1545    2.4736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7814    3.9264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3619    1.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7350    3.2803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336    0.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8784    1.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2515    2.6341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9501    0.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3948    0.5351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4665   -0.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 10 11  2  0
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 13 14  2  0
  7 15  2  0
 15 16  1  0
 16 17  1  0
 15 18  1  0
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 21 22  1  0
 21 23  2  0
 23 24  1  0
 24 25  1  0
 23  3  1  0
 20  5  2  0
 14  8  1  0
M  END
$$$$
Mol_7361
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
    4.2174   -3.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6861   -2.5433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6864   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2181   -1.7316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2184   -0.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -0.9199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2496    0.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7180   -0.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7176    1.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1860    0.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6546   -0.7213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1230   -1.0279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6550   -1.8396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1236   -3.2645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1866   -1.5331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7810    1.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7807    2.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3120    4.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6874    1.9299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1560    3.3548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6870    0.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1554    1.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6240    2.5431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1550   -0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6234    0.3065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6231   -0.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  8  9  2  0
  9 10  1  0
 10 11  2  0
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 13 14  1  0
 13 15  2  0
  7 16  2  0
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 22 23  1  0
 22 24  2  0
 24 25  1  0
 25 26  1  0
 24  3  1  0
 21  5  2  0
 15  8  1  0
M  END
$$$$
Mol_7362
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -6.7171    1.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7899    0.2176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3051    0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7476    1.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6748    3.0027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2629    2.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3357    0.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1491    1.0713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0763   -0.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5610    0.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4882   -1.0734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9730   -0.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5305    0.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0152    0.7460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6033    1.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1608    3.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1186    1.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5188   -1.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4460   -2.6794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8884   -4.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9660   -1.7137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5235   -3.1063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8932   -0.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3779   -0.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9355   -2.1406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
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  9 10  1  0
 10 11  2  0
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 13 14  1  0
 13 15  1  0
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  9 18  2  0
 18 19  1  0
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 21 22  2  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 24  3  1  0
 23  7  1  0
 17 10  1  0
M  END
$$$$
Mol_7363
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -6.5864    1.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5856   -0.0107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1176    0.2973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6504    1.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6512    2.8400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1824    2.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1815    0.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2865    1.2215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2873    0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7553    0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7561   -0.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2241   -0.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6914    1.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1594    1.3365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6906    2.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2225    1.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8201   -1.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8209   -2.4385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3537   -3.8638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6480   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1152   -3.0546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6488   -0.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1168   -0.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5840   -2.2454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 23  3  1  0
 22  7  1  0
 16 10  1  0
M  END
$$$$
Mol_7364
     RDKit          2D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -5.9150    3.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4158    3.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6232    1.8317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1240    1.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3314    0.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1678    0.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4910   -0.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4413    1.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1478    2.7735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6470    2.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9205    3.6159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9702    2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7628    0.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0563   -0.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1060   -1.9791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7828   -1.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2836   -1.3223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5771   -2.6455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6268   -4.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3036   -3.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1955   -3.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9882   -2.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2800   -0.9906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.7792   -1.0403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5718    0.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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 12 10  1  0
 16 14  1  0
 20 18  1  0
M  END
$$$$
Mol_7365
     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -4.9765    1.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0570    0.1433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5709    0.3469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0043    1.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5182    1.9395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4013    0.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8874    0.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8068   -0.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2930   -0.0235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8596    1.3653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2124   -1.2087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1654   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6515   -0.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2181   -2.2271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2987   -3.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  3  4  2  0
  4  5  1  0
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 13 14  1  0
 14 15  1  0
 13  3  1  0
M  END
$$$$
Mol_7366
     RDKit          2D

 24 23  0  0  0  0  0  0  0  0999 V2000
  -14.8350   -0.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5266    0.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2372   -0.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9287    0.4506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6393   -0.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3309    0.4178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0414   -0.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7330    0.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4436   -0.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8457   -0.4142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5373    0.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7522   -0.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0606    0.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3501   -0.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1437   -0.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4521    0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4710    1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7415   -0.6112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
M  END
$$$$
Mol_7367
     RDKit          2D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -8.9657   -1.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4658   -1.4451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7335   -2.7541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6988   -0.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0335   -1.5468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5333   -1.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3009   -0.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1632    2.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  6
  5  6  1  0
  6  7  1  0
  8  7  1  6
  8  9  1  0
  9 10  1  6
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  1
 13 15  1  0
 15 16  1  6
 16 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  6
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  6
 26 28  1  0
 28 29  1  6
 29 30  1  0
 30 31  1  0
 31 32  1  6
 31 33  1  0
 33 34  1  6
 33  5  1  0
 31  8  1  0
 28  9  1  0
 26 13  1  0
 22 15  1  0
M  END
$$$$
Mol_7368
     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
    4.7492   -2.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2798   -2.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2842   -1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7581   -0.1419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2275    0.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7014    1.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2231   -0.9626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8148   -1.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3409   -3.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1285   -3.5907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6024   -5.0139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1241   -2.4687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1109    0.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1720    1.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1676    2.6216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7026    1.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2930    0.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1808   -0.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625    0.9801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2363    2.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5556    1.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2407    3.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2287    3.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  3  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 14 20  1  0
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 20 22  2  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 26 29  1  0
 29 30  2  0
 24  8  1  0
 24 13  1  0
 30 22  1  0
M  END
$$$$
Mol_7369
     RDKit          2D

 31 31  0  0  0  0  0  0  0  0999 V2000
    2.1530    1.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1270    0.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8152   -0.3944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4707    0.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7825   -0.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0684    0.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0424    1.9228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3802   -0.3044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6661    0.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9779   -0.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0338   -1.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9618   -1.3916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6760   -2.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4992   -2.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4343   -1.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.9389    1.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4664    1.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4405    2.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9849    1.3937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4128   -0.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7247    0.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0105   -0.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3224    0.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6082   -0.5293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5822   -2.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9200    0.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2059   -0.5743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5177    0.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5437    1.6528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8036   -0.6193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
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 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
  2 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 18 10  1  0
M  END
$$$$
Mol_7370
     RDKit          2D

 31 32  0  0  0  0  0  0  0  0999 V2000
   -5.8232    0.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3832    0.5989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1105    3.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5868    2.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2304    3.9329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5031    1.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8595   -0.0184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2995   -0.4383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7759   -1.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1322   -2.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5723   -2.9325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9287   -4.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8450   -5.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6642   -0.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4606    1.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9843    0.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0679   -0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1879   -1.2530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2715   -2.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9151   -3.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7115   -1.8702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8170    2.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7333    3.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897    5.1925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2933    3.3156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0631    1.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
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 13 14  1  0
 13 15  1  0
 10 16  2  0
 16 17  1  0
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 21 22  1  0
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 23 24  1  0
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 24 26  2  0
 19 27  2  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31  7  1  0
 31 18  2  0
M  END
$$$$
Mol_7371
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
   -9.3867   -1.9798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8928   -0.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4192   -0.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9253    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4518    1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9579    2.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4843    3.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5047    1.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9986    0.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0311    2.2551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0515    1.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9160    2.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8170    0.7606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 35 36  1  0
 35 37  2  0
 33 11  1  0
 28 14  1  0
 33 29  1  0
 22 16  1  0
M  END
$$$$
Mol_7372
     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -3.4147   -1.3416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9917    0.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0266    1.1834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1110    1.8899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4991   -0.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9220   -2.0742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9587   -0.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3817    1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8395    1.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743    0.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4514   -1.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9936   -1.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  2  3
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
M  END
$$$$
Mol_7373
     RDKit          2D

 28 29  0  0  0  0  0  0  0  0999 V2000
   -5.2217    3.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7227    3.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9257    2.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6276    0.9813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4267    2.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7743    3.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4762    5.0680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5713    2.4717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9644   -1.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6296    1.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
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 10 11  2  0
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 28 10  1  0
M  END
$$$$
Mol_7374
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -4.7486   -0.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3132    0.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2183   -0.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9929    1.6589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3120   -1.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8423   -1.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5232    1.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
M  END
$$$$
Mol_7375
     RDKit          2D

 31 33  0  0  0  0  0  0  0  0999 V2000
    0.4120    5.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5332    4.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3521    2.2824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4950    1.3369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0397    1.8605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0498    0.8132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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 30  7  1  0
 29 17  1  0
 28 23  1  0
M  END
$$$$
Mol_7376
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.9303    1.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7773    2.8387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 25 13  2  0
 20 15  1  0
M  END
$$$$
Mol_7377
     RDKit          2D

 29 31  0  0  0  0  0  0  0  0999 V2000
    3.5714    4.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5799    0.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0557    0.6929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
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  9 15  2  0
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 25 26  2  0
 20 27  1  0
 27 28  2  0
 28 29  1  0
 28  6  1  0
 27 15  1  0
 26 21  1  0
M  END
$$$$
Mol_7378
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -4.2551   -0.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8948    0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6672   -0.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069    0.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207   -0.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2810   -0.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    1.4796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5085   -0.8766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
M  END
$$$$
Mol_7379
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -2.5662    1.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    0.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3712   -0.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8670   -0.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0300   -1.9535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6203   -0.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1161   -0.4893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5602   -0.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9672   -1.9819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7665    0.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9211    2.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4253    1.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2251    0.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0705    1.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  1  0
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  8 10  1  0
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 11 12  1  0
 12 13  1  0
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 14 15  1  0
 14  2  1  0
 14  7  1  0
M  END
$$$$
Mol_7380
     RDKit          2D

 14 16  0  0  0  0  0  0  0  0999 V2000
    4.6432   -1.0149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2870   -0.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1637    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8075    1.7616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5744    0.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7818    1.5482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0149    0.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8916   -0.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5354   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6977   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0539   -1.2283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2753   -1.3801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2537   -0.2431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4747    1.0387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
  8 12  1  0
 12 13  1  0
 13 14  1  0
 11  2  1  0
 10  5  1  0
 14  7  1  0
M  END
$$$$
Mol_7381
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
    4.0159   -0.7616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6777   -0.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4394    1.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9573    1.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2796    0.2899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9813    1.1202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0634    2.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2373    0.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1551   -1.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8169   -1.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6652   -2.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3429   -0.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0552   -0.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5141    0.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5549   -0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  1  0
 13 14  1  0
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 12  2  1  0
 12  5  1  0
 13  5  1  0
M  END
$$$$
Mol_7382
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -4.7394   -0.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4956    0.7768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1476    0.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0434   -1.3775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6953   -2.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5484   -1.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8964   -1.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1402   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0360    0.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2798    1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6880    1.1379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4442    0.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9038    0.9574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0080    2.4537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13  3  1  0
 12  6  1  0
M  END
$$$$
Mol_7383
     RDKit          2D

 15 17  0  0  0  0  0  0  0  0999 V2000
    4.0159   -0.7616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6777   -0.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4394    1.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9573    1.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2796    0.2899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9813    1.1202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0634    2.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2373    0.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1551   -1.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8169   -1.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6652   -2.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3429   -0.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0552   -0.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5141    0.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5549   -0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
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 10 13  1  0
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 12  2  1  0
 12  5  1  0
 13  5  1  0
M  END
$$$$
Mol_7384
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.3690    1.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1386    0.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3069   -0.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7397   -0.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6206   -1.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3774   -2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0539   -1.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0793   -3.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5954   -0.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0612   -0.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2110    1.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8379    1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5191    3.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8394    0.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6449    0.9390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
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 12 13  1  0
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 14 15  1  0
 15  4  1  0
 14  9  1  0
M  END
$$$$
Mol_7385
     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -4.8431    1.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4033    0.9940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0475   -0.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6077   -0.8837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2520   -2.3410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5236    0.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9163   -0.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0004    0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4402    0.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5243    1.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7959   -1.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
M  END
$$$$
Mol_7386
     RDKit          2D

 16 19  0  0  0  0  0  0  0  0999 V2000
    2.3937   -2.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1672   -1.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2337   -0.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5601    1.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0773    0.9767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2555    1.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5684    2.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4160    2.6154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0244    0.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8345   -0.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1462   -1.8363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3522   -1.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8505   -1.9768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1622   -0.6441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4950    0.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 14 15  1  0
 15 16  1  0
 11  2  1  0
 15 13  1  0
 11  5  1  0
 15  9  1  0
M  END
$$$$
Mol_7387
     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
    4.8269    0.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4119   -0.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5006   -1.9908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2482   -2.8163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9071   -2.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1595   -1.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0708    0.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9821    1.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6410    2.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6114    1.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1113    1.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2069    2.8989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.3066    1.1710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9267    0.5528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4283    2.0739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2538    0.8214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7523    0.7531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
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 20 22  1  0
 17 23  1  0
  9 24  1  0
 24 25  1  0
 25 26  2  0
  8  2  1  0
 23 14  1  0
 25  2  1  0
 14  6  1  0
 22 17  1  0
M  END
$$$$
Mol_7388
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -5.6865   -3.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3782   -3.1003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3593   -1.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6488   -0.8341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0510   -0.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7614   -1.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4531   -0.8994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4342    0.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8741    1.3341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1636    0.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1448   -0.9321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4343   -1.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4155   -3.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1071   -3.9318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7427   -0.9647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0322   -1.7310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7615    0.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0699    1.2688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4720    1.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4908    2.8013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7238    1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5069    3.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9983    4.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5235    2.9758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  1  0
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 17 18  1  0
 17 19  1  0
 19 20  1  0
  8 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 22  5  1  0
 19 10  1  0
 25 21  1  0
M  END
$$$$
Mol_7389
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -5.8534    1.5780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5252    2.2751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4648    3.7739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2575    1.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9293    2.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6615    1.3687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7219   -0.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5459   -0.9318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8740   -0.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1418   -1.0365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4700   -0.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7378   -1.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6774   -2.6399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5304    1.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8586    1.8564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2627    1.9611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3231    3.4599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9345    1.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    2.0658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0501   -0.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208   -2.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4629   -3.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0157   -3.1823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9835   -4.8416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9177   -2.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4721   -0.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3179   -0.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
  7 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 21 25  2  0
 25 26  1  0
 26 27  1  0
 27  4  1  0
 18  9  1  0
 27 20  1  0
M  END
$$$$
Mol_7390
     RDKit          2D

 31 36  0  0  0  0  0  0  0  0999 V2000
   -7.5649   -1.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0818   -1.9644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1456   -0.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6472   -0.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1189    0.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5906    1.9467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0922    1.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6944    0.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9469   -0.3934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4499   -1.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1801   -1.3767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7197   -0.7194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9540   -1.5763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1134   -0.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5173   -1.1529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7618   -2.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1657   -3.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6024   -3.5845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8690    0.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0284    1.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4323    1.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7839    3.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    3.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2206    2.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4651    1.3836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2729    0.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6768   -0.2012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2908    1.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5434    0.6538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 14 19  1  0
 19 20  1  0
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 20 22  1  0
 22 23  1  0
 23 24  1  0
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 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
  5 30  1  0
 30 31  1  0
 31  3  1  0
  9  5  1  0
 12 10  1  0
 25 19  1  0
 25  8  1  0
 28 20  1  0
M  END
$$$$
Mol_7391
     RDKit          2D

 30 35  0  0  0  0  0  0  0  0999 V2000
    6.2243   -0.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7665   -1.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3433   -2.5893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7318   -0.0642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0558   -0.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6732   -1.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3929   -2.2093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4564   -1.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3182   -0.1278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2155    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1469    1.8845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625    2.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1203    2.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6278    3.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2393   -1.0774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4642   -0.9835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9104    0.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6966    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4148    0.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7843   -0.1513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  6
  5  6  1  0
  6  7  1  0
  7  8  1  1
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  1
 12 14  1  0
 14 15  1  0
 15 16  1  0
 17 16  1  1
 17 18  1  0
 18 19  1  0
 17 20  1  0
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 21 22  1  6
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 27 28  1  6
 27 29  1  0
 24 30  1  0
 20  5  1  6
 30 21  1  0
 19  7  1  0
 29 24  1  0
 21  7  1  0
 20 12  1  0
M  END
$$$$
Mol_7392
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -6.1089    0.9150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9889   -0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5648    0.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4448   -0.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0207   -0.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0993   -1.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5234   -0.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7415   -1.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9504   -0.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4794    0.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3547    1.9894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9794    0.7634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12  7  1  0
M  END
$$$$
Mol_7393
     RDKit          2D

 31 32  0  0  0  0  0  0  0  0999 V2000
  -13.1576    0.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7494    0.8639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4927    2.3418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5979   -0.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1896    0.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0381   -0.5419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6299   -0.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3732    1.4526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4783   -0.9865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0701   -0.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9186   -1.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5104   -0.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0494   -1.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2009   -2.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6091   -1.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8558   -0.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1025    0.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8492    2.0991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0958    3.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3492    2.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0958    3.4039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1025    0.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6025    0.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3558   -0.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1091   -1.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8558   -0.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1091   -1.7999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  2  0
 30 31  1  0
 31 17  1  0
 30 21  1  0
M  END
$$$$
Mol_7394
     RDKit          2D

 26 31  0  0  0  0  0  0  0  0999 V2000
    3.5731    1.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7196    1.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0039    2.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5044    2.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2793    1.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4364    0.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4201   -0.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3879   -1.7482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3728   -2.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1280   -3.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2644   -1.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6515   -1.2786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0898   -0.8526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291    0.6469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3653    1.4964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9358    0.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4768   -1.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3900   -2.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7646   -0.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2029   -0.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0525    0.5094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1393    1.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5653    3.1376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7253    1.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3264    0.1251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  6  5  1  6
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  1
  9 11  1  0
 12 11  1  6
 12 13  1  0
 13 14  1  0
 14 15  2  0
 16 12  1  6
  9 17  1  0
 17 18  1  6
 18 19  1  0
 20 19  1  1
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 23 24  1  1
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 20 26  1  0
 14  2  1  0
 26 17  1  0
 16  2  1  0
 25 20  1  0
 16  6  1  0
 17  6  1  0
M  END
$$$$
Mol_7395
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
   11.4480    1.9685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3932    0.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9422    1.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8874    0.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4364    0.5961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3816   -0.4703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9306   -0.0901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8758   -1.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4248   -0.7763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3699   -1.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0811   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1359   -2.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5869   -2.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0379   -1.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4341   -0.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8851    0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2812    1.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7322    1.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7871    0.8191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1284    3.3323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
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 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
M  END
$$$$
Mol_7396
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.8508    0.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4817    0.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2665   -0.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8974    0.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6821   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3130    0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0977   -0.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7286    0.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5133   -0.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1442   -0.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0711   -1.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4402   -0.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8093    0.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1784    0.7182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3936   -0.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7627    0.4518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9780   -0.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3471    0.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5009    1.6775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5624   -0.6938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9315   -0.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  3  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
M  END
$$$$
Mol_7397
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
    3.5140    0.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2602   -0.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9202    0.1603    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3336   -0.6631    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6736    0.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9274   -0.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7598    1.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
M  END
$$$$
Mol_7398
     RDKit          2D

 18 17  0  0  0  0  0  0  0  0999 V2000
   10.7358    0.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4729   -0.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1406    0.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8776   -0.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5453    0.3820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2823   -0.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500    0.2618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6870   -0.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3547    0.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -0.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2406    0.0213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5036   -0.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8359   -0.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0989   -0.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4312   -0.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6941   -1.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5006    1.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8330    1.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
M  END
$$$$
Mol_7399
     RDKit          2D

 51 56  0  0  0  0  0  0  0  0999 V2000
   -4.9773   -6.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2549   -5.4220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7017   -4.9411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3947   -2.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8101   -2.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0877   -0.9997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9499   -0.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2276    1.4519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6430    1.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9206    3.4226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3360    3.9192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6136    5.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4758    6.3707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4738    2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8892    3.4383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1961    1.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1394    1.6698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21  8  1  6
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 31 32  1  1
 33 32  1  1
 33 34  1  0
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 22  5  1  0
 49 28  1  0
 19 10  1  0
 50 21  1  0
 42 33  1  0
 49 44  1  0
M  END
$$$$
Mol_7400
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
   -4.4079   -0.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0559   -0.9334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9427   -2.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8172   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9305    1.4082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7734    0.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1254   -0.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3641    0.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2387   -2.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5906   -2.6865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1559    1.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8356    1.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5469    3.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  8 10  1  0
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 12 13  1  0
 12 14  1  0
 12 15  1  0
M  END
$$$$
Mol_7401
     RDKit          2D

 30 35  0  0  0  0  0  0  0  0999 V2000
    6.2243   -0.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7665   -1.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3433   -2.5893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7318   -0.0642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0558   -0.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6732   -1.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3929   -2.2093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4564   -1.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3182   -0.1278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2155    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1469    1.8845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4148    0.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7843   -0.1513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  6
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  6  7  1  0
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 30 21  1  0
 19  7  1  0
 29 24  1  0
 21  7  1  0
 20 12  1  0
M  END
$$$$
Mol_7402
     RDKit          2D

 26 31  0  0  0  0  0  0  0  0999 V2000
    3.5731    1.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7196    1.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0039    2.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5044    2.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2793    1.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4201   -0.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3879   -1.7482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3728   -2.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3900   -2.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0525    0.5094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5653    3.1376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7253    1.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3264    0.1251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
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  3  4  1  0
  4  5  1  0
  6  5  1  6
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  9 10  1  1
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 14  2  1  0
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 17  6  1  0
M  END
$$$$
Mol_7403
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -3.8971    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  8 12  1  0
 12  4  1  0
M  END
$$$$
Mol_7404
     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  7 11  1  0
 11 12  1  0
 12  4  1  0
M  END
$$$$
Mol_7405
     RDKit          2D

 26 31  0  0  0  0  0  0  0  0999 V2000
    3.5731    1.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7196    1.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0039    2.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5044    2.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3879   -1.7482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1280   -3.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3264    0.1251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
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 14  2  1  0
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 17  6  1  0
M  END
$$$$
Mol_7406
     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
   -1.9926    2.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0263   -0.2819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6580    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3249   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    2.5940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9604    0.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2781   -0.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5576    0.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 24 25  2  0
 20 26  1  0
 17  2  1  0
 24 20  1  0
 12  6  1  0
 26 17  1  0
 15  7  1  0
M  END
$$$$
Mol_7407
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
   -5.1960   -0.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7170   -0.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4054    0.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6341   -0.7843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 12 15  1  0
M  END
$$$$
Mol_7408
     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.2667   -2.5545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2381   -1.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0749   -0.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3595   -1.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6725   -0.3790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9571   -1.1536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2701   -0.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2987    1.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0141    1.8459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7011    1.1207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5227   -0.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1203   -0.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8357   -1.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
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  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 10  5  1  0
 16 11  1  0
M  END
$$$$
Mol_7409
     RDKit          2D

 38 37  0  0  0  0  0  0  0  0999 V2000
  -21.3742   -1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.9875   -1.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.7988   -0.7516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -16.2235   -0.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -12.2615   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0728    0.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5299    3.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9259    0.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1240   -1.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5106   -2.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7087   -3.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6993   -1.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2746   -0.7532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6613   -1.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8500   -0.4102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8593   -2.8120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
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 31 33  1  0
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 35 36  1  0
 36 37  1  0
 36 38  1  0
M  END
$$$$
Mol_7410
     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -4.6940   -1.5918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5653   -0.6038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1454   -1.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0167   -0.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4032   -0.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6945   -2.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8052   -2.0856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4649   -3.5367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1144   -2.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2431   -1.5499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9519   -0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0806    0.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4791    1.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8575   -0.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7893    2.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3694    2.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2407    1.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5319    0.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1120    0.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8566    0.8676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2765    1.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4052    0.3632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5678    2.8226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
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  9 10  1  0
 10 11  1  0
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 18 19  1  0
  2 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 18  5  1  0
 18 11  1  0
M  END
$$$$
Mol_7411
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.8112   -0.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4985    0.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.6159   -0.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3033    0.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0183   -0.3718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7056    0.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4207   -0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1770   -0.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2825    0.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5675   -0.6594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8802    0.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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  6  7  1  0
  7  8  2  3
  8  9  1  0
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 18 20  1  0
 20 21  1  0
M  END
$$$$
Mol_7412
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -4.1263    0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7859   -0.9271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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 14  2  1  0
 12  5  1  0
M  END
$$$$
Mol_7413
     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
    5.6297   -3.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3036   -3.1234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  8 21  1  0
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 22  5  1  0
 19 10  1  0
 26 21  1  0
M  END
$$$$
Mol_7414
     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -3.1182    0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9843    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5669   -0.4910    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9843    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1182   -0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2678    1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
M  END
$$$$
Mol_7415
     RDKit          2D

 30 31  0  0  0  0  0  0  0  0999 V2000
  -12.8396    0.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4347    0.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1873    2.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2771   -0.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8722    0.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7146   -0.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3778   -1.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1557    2.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3942    3.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4402   -1.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1787   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4403   -1.7386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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 10 11  1  0
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 29 30  1  0
 30 17  1  0
 29 21  1  0
M  END
$$$$
Mol_7416
     RDKit          2D

 26 31  0  0  0  0  0  0  0  0999 V2000
    3.5731    1.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7196    1.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0039    2.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5044    2.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2793    1.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4364    0.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4201   -0.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3879   -1.7482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3728   -2.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1280   -3.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2644   -1.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6515   -1.2786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0898   -0.8526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291    0.6469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3653    1.4964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7646   -0.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0525    0.5094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1393    1.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5653    3.1376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7253    1.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3264    0.1251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  6  5  1  6
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  1
  9 11  1  0
 12 11  1  6
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 16 12  1  6
  9 17  1  0
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 14  2  1  0
 26 17  1  0
 16  2  1  0
 25 20  1  0
 16  6  1  0
 17  6  1  0
M  END
$$$$
Mol_7417
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -3.6982   -1.4217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8365   -1.6267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0724   -2.9175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5725   -2.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1633   -1.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6007   -0.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8585   -0.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1007   -0.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8647    0.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1289    2.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7749    2.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0193    4.3029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1351    1.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2736    1.9804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8579   -0.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1663   -2.4153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7695   -1.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2862    0.4922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2699   -1.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4738   -1.9025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  3  4  1  0
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 23 19  2  0
 25  2  1  0
 15  6  1  0
M  END
$$$$
Mol_7418
     RDKit          2D

 29 34  0  0  0  0  0  0  0  0999 V2000
    5.8840   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3998   -1.2335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8457   -2.6274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4944   -0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0528   -1.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1643   -3.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2296   -2.8150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0554    0.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 29  5  1  0
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 18 10  1  0
 28 19  1  0
 17 13  1  0
 29 19  1  0
M  END
$$$$
Mol_7419
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
    5.2593    2.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9053    0.8391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4007    0.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.4027    0.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
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 19 20  1  0
 19 21  1  0
M  END
$$$$
Mol_7420
     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
   -5.4045   -0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9047   -0.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1381    0.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6281    2.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3946    3.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3615    0.8920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_7421
     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7422
     RDKit          2D

 43 46  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_7423
     RDKit          2D

 45 48  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7424
     RDKit          2D

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M  END
$$$$
Mol_7425
     RDKit          2D

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M  END
$$$$
Mol_7426
     RDKit          2D

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$$$$
Mol_7427
     RDKit          2D

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$$$$
Mol_7428
     RDKit          2D

 44 47  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7429
     RDKit          2D

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M  END
$$$$
Mol_7430
     RDKit          2D

 44 47  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_7431
     RDKit          2D

 37 38  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_7432
     RDKit          2D

 44 48  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_7433
     RDKit          2D

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$$$$
Mol_7434
     RDKit          2D

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M  END
$$$$
Mol_7435
     RDKit          2D

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M  END
$$$$
Mol_7436
     RDKit          2D

 44 47  0  0  0  0  0  0  0  0999 V2000
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$$$$
Mol_7437
     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7438
     RDKit          2D

 49 52  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7439
     RDKit          2D

 28 29  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
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 23 14  1  0
M  END
$$$$
Mol_7440
     RDKit          2D

 58 62  0  0  0  0  0  0  0  0999 V2000
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   14.1202    1.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6847    1.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 51 32  1  0
M  END
$$$$
Mol_7441
     RDKit          2D

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.1935    0.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1858    0.7245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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M  END
$$$$
Mol_7442
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -3.9211    0.9567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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  8 10  1  0
M  END
$$$$
Mol_7443
     RDKit          2D

 26 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7444
     RDKit          2D

 42 47  0  0  0  0  0  0  0  0999 V2000
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 26  8  1  0
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M  END
$$$$
Mol_7445
     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
    6.1688    2.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 13  1  0
M  END
$$$$
Mol_7446
     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7447
     RDKit          2D

 45 48  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7448
     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7449
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 17 24  1  0
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  5 29  1  0
 29 30  2  0
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 27  4  1  0
 27 12  1  0
 17 13  1  0
M  END
$$$$
Mol_7450
     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.4538   -2.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1686   -0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0252    1.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
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 24  9  1  0
 24 17  1  0
M  END
$$$$
Mol_7451
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -5.6161    0.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1787    0.8516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4323    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
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 28 29  1  0
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 29 31  1  0
 28  8  1  0
 29  8  1  0
 27 12  1  0
 27 20  1  0
M  END
$$$$
Mol_7452
     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.4538   -2.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1686   -0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0252    1.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  4  5  1  0
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 11 12  1  0
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M  END
$$$$
Mol_7453
     RDKit          2D

 39 43  0  0  0  0  0  0  0  0999 V2000
   -7.1531   -1.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 35 12  1  0
 30 15  1  0
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 23 17  1  0
M  END
$$$$
Mol_7454
     RDKit          2D

 39 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7455
     RDKit          2D

 33 37  0  0  0  0  0  0  0  0999 V2000
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 21  2  1  0
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 33 14  1  0
M  END
$$$$
Mol_7456
     RDKit          2D

 40 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7457
     RDKit          2D

 51 55  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7458
     RDKit          2D

 48 52  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7459
     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7460
     RDKit          2D

 40 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7461
     RDKit          2D

 51 56  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7462
     RDKit          2D

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M  END
$$$$
Mol_7463
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7464
     RDKit          2D

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 51 20  1  0
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 30 22  1  0
M  END
$$$$
Mol_7465
     RDKit          2D

 90 96  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7466
     RDKit          2D

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M  END
$$$$
Mol_7467
     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7468
     RDKit          2D

 77 81  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7469
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7470
     RDKit          2D

 59 63  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7471
     RDKit          2D

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M  END
$$$$
Mol_7472
     RDKit          2D

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M  END
$$$$
Mol_7473
     RDKit          2D

 48 51  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7474
     RDKit          2D

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 77 15  1  0
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 53 18  1  0
 75 61  1  0
 54 22  1  0
 33 24  1  0
M  END
$$$$
Mol_7475
     RDKit          2D

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M  END
$$$$
Mol_7476
     RDKit          2D

 97103  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7477
     RDKit          2D

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M  END
$$$$
Mol_7478
     RDKit          2D

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M  END
$$$$
Mol_7479
     RDKit          2D

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M  END
$$$$
Mol_7480
     RDKit          2D

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 13  7  1  0
M  END
$$$$
Mol_7481
     RDKit          2D

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M  END
$$$$
Mol_7482
     RDKit          2D

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M  END
$$$$
Mol_7483
     RDKit          2D

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M  END
$$$$
Mol_7484
     RDKit          2D

 69 73  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7485
     RDKit          2D

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M  END
$$$$
Mol_7486
     RDKit          2D

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 30 22  1  0
M  END
$$$$
Mol_7487
     RDKit          2D

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 33 24  1  0
M  END
$$$$
Mol_7488
     RDKit          2D

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M  END
$$$$
Mol_7489
     RDKit          2D

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M  END
$$$$
Mol_7490
     RDKit          2D

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M  END
$$$$
Mol_7491
     RDKit          2D

 83 87  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7492
     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7493
     RDKit          2D

119125  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7494
     RDKit          2D

 43 45  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7495
     RDKit          2D

 36 36  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
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 11 12  1  0
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 35 36  1  0
 35 26  1  0
M  END
$$$$
Mol_7496
     RDKit          2D

 44 45  0  0  0  0  0  0  0  0999 V2000
   11.6593   -2.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9402   -1.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3073    0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1856    0.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1945    1.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1223    2.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.8540   -2.0952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2567   -2.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
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 10 11  1  0
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 31 32  1  0
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  3 38  1  0
 38 39  1  0
 38 40  1  0
 38 41  1  0
 41 42  1  0
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 42 44  1  0
 44  2  1  0
 35 26  1  0
M  END
$$$$
Mol_7497
     RDKit          2D

 23 23  0  0  0  0  0  0  0  0999 V2000
    8.1068   -2.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1986   -1.0258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9480   -0.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6054   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3548   -0.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0122   -0.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7616    0.1206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4190   -0.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3272   -2.0456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8316    0.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1742   -0.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7674   -0.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3824    1.9686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  8  9  2  0
  8 10  1  0
 10 11  1  0
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 17 18  1  0
 17 19  1  0
  5 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22  3  1  0
M  END
$$$$
Mol_7498
     RDKit          2D

 40 41  0  0  0  0  0  0  0  0999 V2000
  -12.7500   -1.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0000   -0.2598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.2500   -1.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.2500    1.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -0.2598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -1.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0000   -0.2598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  2  0
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  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
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 10 11  1  0
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 35 36  1  0
 35 37  1  0
 35 38  1  0
 38 39  1  0
 39 40  1  0
 40  2  1  0
 32 26  1  0
M  END
$$$$
Mol_7499
     RDKit          2D

 44 46  0  0  0  0  0  0  0  0999 V2000
    3.0880   -1.9191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8804   -0.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1785    0.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0122    1.6820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4784   -0.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5983   -1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5944   -1.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8925   -0.6568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2636   -1.2652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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$$$$
Mol_7500
     RDKit          2D

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M  END
$$$$
Mol_7501
     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7502
     RDKit          2D

109114  0  0  0  0  0  0  0  0999 V2000
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 70 61  1  0
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M  END
$$$$
Mol_7503
     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7504
     RDKit          2D

 43 44  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$
Mol_7505
     RDKit          2D

 44 46  0  0  0  0  0  0  0  0999 V2000
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    6.6709    1.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_7506
     RDKit          2D

 31 31  0  0  0  0  0  0  0  0999 V2000
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 31  2  1  0
M  END
$$$$
Mol_7507
     RDKit          2D

 30 34  0  0  0  0  0  0  0  0999 V2000
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   -2.3213    0.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
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 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
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 22 23  1  0
 23 24  1  0
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 25 26  1  0
 26 27  1  0
 27 28  1  0
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 29 30  1  0
 29  9  1  0
 29 12  1  0
 26 14  1  0
 24 17  1  0
 26 24  1  0
M  END
$$$$
Mol_7508
     RDKit          2D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -2.1744    3.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2442    2.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8685    0.8823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9384   -0.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5627   -1.6213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7416   -3.4743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2961   -3.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0795   -5.3273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7737   -2.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3980   -1.3714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4679   -0.3200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9133   -0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4984    0.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6896    2.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0653    4.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  2  0
 14 23  1  0
 23 24  1  0
 24 25  2  0
  4 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30  2  1  0
 12  6  1  0
 22 15  1  0
 24 10  1  0
M  END
$$$$
Mol_7509
     RDKit          2D

 29 32  0  0  0  0  0  0  0  0999 V2000
    7.3977   -3.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0899   -2.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2073   -1.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3567   -0.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6236    1.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7410    2.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2945   -2.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7616   -0.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8215   -0.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9823    1.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2793    0.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28  9  1  0
 28 12  1  0
 25 13  1  0
 23 16  1  0
M  END
$$$$
Mol_7510
     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -3.3863   -0.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0220    0.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -0.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5644    0.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7068    1.5470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7864   -0.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1507   -0.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
M  END
$$$$
Mol_7511
     RDKit          2D

 58 59  0  0  0  0  0  0  0  0999 V2000
  -19.8979   11.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.6045   10.8672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.6156    9.3672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.3221    8.6076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.3332    7.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0398    6.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0509    4.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7574    4.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7685    2.5886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4751    1.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4862    0.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1927   -0.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.4279    0.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.9047    1.4054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9869    3.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.0942    4.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2532   -4.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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  9 10  1  0
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 17 16  1  6
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 22 23  1  6
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 31 32  2  0
 32 33  1  0
 33 34  1  0
 33 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 40  1  0
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 52 53  1  6
 52 54  1  0
 54 55  1  0
 55 56  1  0
 55 57  1  0
 22 58  1  0
 58 17  1  0
 55 48  1  0
M  END
$$$$
Mol_7512
     RDKit          2D

 44 47  0  0  0  0  0  0  0  0999 V2000
    3.8466   -0.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4362    0.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5711    2.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1165    2.8470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9278    1.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3825    2.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7929    3.5789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4267    1.0594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$
Mol_7513
     RDKit          2D

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$$$$
Mol_7514
     RDKit          2D

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$$$$
Mol_7515
     RDKit          2D

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M  END
$$$$
Mol_7516
     RDKit          2D

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M  END
$$$$
Mol_7517
     RDKit          2D

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 32 24  1  0
M  END
$$$$
Mol_7518
     RDKit          2D

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