
     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
    2.3203   -1.4534   -1.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0673   -1.2499    0.4568 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7281   -0.7322    0.7199 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3790   -1.5176    0.5222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3642   -2.6410    0.0410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5114   -0.8726    0.9484 N   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  2  0
  4  6  1  0
M  END
$$$$

     RDKit          3D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.3203   -1.4534   -1.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0673   -1.2499    0.4568 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7281   -0.7322    0.7199 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3790   -1.5176    0.5222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3642   -2.6410    0.0410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5114   -0.8726    0.9484 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8226   -1.4493    0.7082 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
  4  5  2  0
  4  6  1  0
  6  7  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -0.3642   -2.6410    0.0410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3790   -1.5176    0.5222 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7281   -0.7322    0.7199 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5114   -0.8726    0.9484 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
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -0.3642   -2.6410    0.0410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3790   -1.5176    0.5222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5114   -0.8726    0.9484 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8226   -1.4493    0.7082 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7281   -0.7322    0.7199 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
  2  5  1  0
M  END
$$$$

     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -0.3642   -2.6410    0.0410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3790   -1.5176    0.5222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5114   -0.8726    0.9484 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8226   -1.4493    0.7082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2925   -1.2783   -0.7407 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7281   -0.7322    0.7199 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
  2  6  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -1.8363    0.6306    2.3157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8908    0.5453    1.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9798    0.4493    0.1590 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
    0.6439    1.0145    3.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5606    0.5155    2.0373 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1465   -0.9102    1.9202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8908    0.5453    1.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8363    0.6306    2.3157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9798    0.4493    0.1590 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
    0.6439    1.0145    3.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5606    0.5155    2.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8908    0.5453    1.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8363    0.6306    2.3157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9798    0.4493    0.1590 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
  3  4  2  0
  3  5  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    0.6439    1.0145    3.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5606    0.5155    2.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1465   -0.9102    1.9202 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4411   -0.9746    1.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.6439    1.0145    3.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5606    0.5155    2.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1465   -0.9102    1.9202 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.7120    1.9725    1.5232 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8452    0.8303    1.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0824    0.4278    0.3516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1232    1.2681    0.2440 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
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -1.6264   -0.1144    1.0930 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2960    0.4461    0.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6474    0.0627   -1.2317 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
    0.2235    1.3693   -1.8303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1900    0.1135   -1.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4852   -1.0500   -2.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8986   -0.3451   -0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2184   -1.2274    0.9053 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  1
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    2.1876   -1.3162   -2.2244 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8153   -0.8143   -1.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5657   -1.3118   -0.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6585   -0.5745   -1.0014 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
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    2.1876   -1.3162   -2.2244 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8153   -0.8143   -1.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5657   -1.3118   -0.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -2.6216    1.7577   -3.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9367    0.8690   -1.8607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6782    0.5011   -1.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862    1.7689   -0.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5844    0.0287   -2.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4023    0.9743   -3.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6386    1.1557   -3.8862 O   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  1  1  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
    1.7545    2.4557    2.9871 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1117    1.7299    1.7046 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1233    2.1524    0.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3988    3.0160   -0.2393 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0924    1.5034    0.6663 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
  3  4  2  0
  3  5  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.7545    2.4557    2.9871 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1117    1.7299    1.7046 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0479    0.3364    1.9863 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
M  END
$$$$

     RDKit          3D

  7  6  0  0  0  0  0  0  0  0999 V2000
    1.7545    2.4557    2.9871 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1117    1.7299    1.7046 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0479    0.3364    1.9863 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1233    2.1524    0.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3988    3.0160   -0.2393 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0924    1.5034    0.6663 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862    1.7689   -0.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    1.3988    3.0160   -0.2393 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1233    2.1524    0.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0924    1.5034    0.6663 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862    1.7689   -0.2564 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
$$$$

     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
    1.7545    2.4557    2.9871 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1117    1.7299    1.7046 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0479    0.3364    1.9863 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1233    2.1524    0.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3988    3.0160   -0.2393 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0924    1.5034    0.6663 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.3988    3.0160   -0.2393 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1233    2.1524    0.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0924    1.5034    0.6663 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
    1.7545    2.4557    2.9871 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1117    1.7299    1.7046 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1233    2.1524    0.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3988    3.0160   -0.2393 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0924    1.5034    0.6663 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862    1.7689   -0.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -1.8083   -2.3839   -1.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0510   -3.2777   -1.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2735   -2.5073   -1.7631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4070   -1.1374   -1.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1857   -0.3523   -1.2691 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9874   -1.0358   -1.7476 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  1  0
  5  6  1  0
  6  1  1  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -1.5462   -0.0278    1.9911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1807    0.2174    0.8474 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2859    0.3833    0.4961 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1806    0.0352    1.6806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9898    0.4077   -0.2625 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
  2  5  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -1.5462   -0.0278    1.9911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1807    0.2174    0.8474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9898    0.4077   -0.2625 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.5462   -0.0278    1.9911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1807    0.2174    0.8474 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2859    0.3833    0.4961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9898    0.4077   -0.2625 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
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    1.5337    0.1541    2.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3186   -0.2880    0.6975 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3304   -0.2486   -0.2827 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0420   -0.2957   -1.4821 O   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
$$$$

     RDKit          3D

  5  5  0  0  0  0  0  0  0  0999 V2000
    0.2903    1.0741    2.2555 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5889    0.6843    2.6020 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1189    0.0388    1.5129 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2975    0.0533    0.4866 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1599    0.6271    0.9980 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  1  4  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -0.0904    1.3736    2.7404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0650    0.3057    1.7463 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0226    0.0177    0.9109 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9225   -0.8706    0.0553 O   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
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -0.0904    1.3736    2.7404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0650    0.3057    1.7463 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2294   -0.5775    1.7023 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0226    0.0177    0.9109 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9225   -0.8706    0.0553 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
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    0.7648    1.2604   -1.1936 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2960    0.3564   -0.5602 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5772   -0.6838   -0.0134 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8493   -0.8792   -0.2737 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
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.4073    0.6886    1.6972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8092    0.2133    0.2957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7957    1.3704   -0.5545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8493   -0.8792   -0.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  2  4  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.7648    1.2604   -1.1936 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2960    0.3564   -0.5602 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5772   -0.6838   -0.0134 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.0974   -3.0675   -1.0062 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7768   -1.8930   -0.8063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2751   -1.2620   -1.4925 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7778   -1.9564   -2.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0894   -2.6738   -2.4813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3195   -3.5302   -1.4002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5455   -4.1773   -1.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5042   -3.9568   -2.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3149   -3.1568   -3.3219 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1139   -2.5427   -3.4146 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  4  0
  6  7  4  0
  7  8  4  0
  8  9  4  0
  9 10  4  0
 10  5  4  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    1.9176    0.0322   -1.5199 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6230   -0.5343   -0.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9897   -0.5461   -0.7210 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7235    0.1940   -1.7298 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
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
    1.9176    0.0322   -1.5199 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6230   -0.5343   -0.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9820   -1.2942    0.4768 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9897   -0.5461   -0.7210 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7235    0.1940   -1.7298 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
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    1.9176    0.0322   -1.5199 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6230   -0.5343   -0.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9820   -1.2942    0.4768 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9897   -0.5461   -0.7210 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
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.9176    0.0322   -1.5199 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6230   -0.5343   -0.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9897   -0.5461   -0.7210 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
    1.0151   -1.9807    2.8043 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0989   -0.9654    1.6653 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -0.7172    1.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2215   -1.4892    0.5726 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0853    0.4836    1.7332 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
  3  4  2  0
  3  5  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    3.2215   -1.4892    0.5726 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -0.7172    1.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0853    0.4836    1.7332 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    2.8570   -1.3214   -2.1799 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6123   -1.3536   -1.4104 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122   -2.7033   -1.0106 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4658   -0.4046   -1.9990 N   0  0  0  0  0  2  0  0  0  0  0  0
  1  2  2  0
  2  3  2  0
  2  4  1  0
M  CHG  1   4  -1
M  END
$$$$

     RDKit          3D

  8  8  0  0  0  0  0  0  0  0999 V2000
    3.0438   -2.6469    2.3928 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5571   -1.4602    1.7770 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4855   -1.5926    0.9235 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7835   -2.7812    0.7005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2903   -2.8025   -0.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6619   -1.6317   -0.8578 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0381   -0.4403   -0.6535 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0999   -0.4110    0.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  7  4  0
  7  8  4  0
  8  3  4  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    0.6090    2.4303   -0.4965 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6185    2.0406    0.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7331    3.0114    0.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8562    0.7501    0.5152 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
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.6090    2.4303   -0.4965 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6185    2.0406    0.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8562    0.7501    0.5152 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
    3.1529   -0.2361   -2.6134 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750   -0.9954   -2.5591 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8161   -2.3322   -2.6444 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4795   -2.6203   -2.3745 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1328   -1.4249   -2.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6604   -0.3882   -2.3163 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  2  4  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -1.5386   -1.4655   -1.6819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1328   -1.4249   -2.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6604   -0.3882   -2.3163 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750   -0.9954   -2.5591 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8161   -2.3322   -2.6444 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4795   -2.6203   -2.3745 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  2  4  0
M  END
$$$$

     RDKit          3D

  5  5  0  0  0  0  0  0  0  0999 V2000
    1.8161   -2.3322   -2.6444 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4795   -2.6203   -2.3745 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1328   -1.4249   -2.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6604   -0.3882   -2.3163 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750   -0.9954   -2.5591 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  1  4  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.3608    1.3565    1.2890 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7627    0.8143    0.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9689    0.2996   -0.7507 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -3.2174    0.2494   -1.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3980   -0.4274   -2.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0109   -0.3956   -1.9067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4349    0.3167   -0.8451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2661    1.0153    0.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6554    0.9910   -0.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  1  4  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    4.7523    1.6077   -2.3571 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8934    1.4921   -1.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0704    0.9191   -0.2395 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    4.7523    1.6077   -2.3571 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8934    1.4921   -1.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5054    2.1282   -1.6789 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0704    0.9191   -0.2395 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
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -2.1913   -1.8385    0.8577 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8144   -0.7673    0.4056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6027    0.2749   -0.0437 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -0.3756   -0.4083    0.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5803   -1.3364    0.6897 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9479   -1.0496    0.5817 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3970    0.1690    0.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4278    1.0890   -0.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0571    0.8088   -0.2651 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  1  4  0
M  END
$$$$

     RDKit          3D

  7  7  0  0  0  0  0  0  0  0999 V2000
    1.3366   -2.3358   -0.6191 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6927   -1.1095   -1.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1371    0.0208   -0.5453 N   0  0  0  0  0  4  0  0  0  0  0  0
    3.5412   -0.1404   -0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0858    0.3623    0.4853 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7178   -0.8624    1.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2598   -2.0257    0.4275 C   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  1  1  0
M  CHG  1   3   1
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -1.3321   -3.7545   -1.1579 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7788   -2.6562   -0.8472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0320   -1.7118   -0.1747 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -1.3321   -3.7545   -1.1579 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7788   -2.6562   -0.8472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1769   -2.2088   -1.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0479   -1.9496    0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0320   -1.7118   -0.1747 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
  2  5  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.3321   -3.7545   -1.1579 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7788   -2.6562   -0.8472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1769   -2.2088   -1.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0320   -1.7118   -0.1747 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
M  END
$$$$

     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -0.7219   -2.5031   -0.9254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6483   -1.5635   -0.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7751   -0.2690   -0.8444 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9032    0.8147   -0.7208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1047    1.8634   -1.3320 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1638    0.6126    0.1320 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
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
    3.2678    4.5582    0.1417 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5767    3.2714    0.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3768    2.8041   -0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1606    1.5533    0.3502 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2071    1.3590    1.2291 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0856    2.3871    1.2534 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  2  4  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -0.2591   -0.1601    3.6232 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -1.3298    3.0504 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8610   -1.3958    3.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1873   -2.0127    1.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0140   -3.2296    1.8440 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
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -0.2591   -0.1601    3.6232 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -1.3298    3.0504 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1873   -2.0127    1.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0140   -3.2296    1.8440 O   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
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -0.2900    0.5790   -2.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6713    0.4536   -2.4855 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9915   -0.7685   -1.8174 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -0.7669    1.7159   -0.8728 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837    0.4350   -0.4336 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5266    0.4388    0.4573 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  1
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -2.1810    2.1838    0.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8391    1.7057   -0.3438 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9276    1.1204   -1.7709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3047   -0.3585   -1.9471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2175    0.7137    0.5893 N   0  0  0  0  0  4  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  2  5  1  0
M  CHG  1   5   1
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -2.1810    2.1838    0.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8391    1.7057   -0.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276    1.1204   -1.7709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3047   -0.3585   -1.9471 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
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -2.1810    2.1838    0.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8391    1.7057   -0.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276    1.1204   -1.7709 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.3049   -0.8552    1.4548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6062    0.2447    0.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8908   -0.0067   -0.9228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1483    1.5466   -2.1304 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  3  4  1  1
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -0.2838   -0.2501   -2.3094 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7563    0.5434   -1.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9506    0.1900   -1.1725 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3630    1.3016   -0.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4685    2.3043   -0.4654 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4085    1.8083   -1.2189 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  2  4  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -1.1465   -3.2688   -0.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2676   -2.3190   -0.9772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0688   -1.1860   -1.4724 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7245   -0.5081   -0.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5588   -1.4866    0.5267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309   -2.5871    0.9677 O   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  1  1  0
M  END
$$$$

     RDKit          3D

  5  5  0  0  0  0  0  0  0  0999 V2000
    1.4685    2.3043   -0.4654 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4085    1.8083   -1.2189 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7563    0.5434   -1.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9506    0.1900   -1.1725 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3630    1.3016   -0.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  1  4  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -1.0526   -0.7142    3.4116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6036   -0.9055    2.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4822   -1.9419    2.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8669   -1.4868    2.5225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9664   -0.2359    1.1400 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
  2  5  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.0526   -0.7142    3.4116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6036   -0.9055    2.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4822   -1.9419    2.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9664   -0.2359    1.1400 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
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -1.0526   -0.7142    3.4116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6036   -0.9055    2.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9664   -0.2359    1.1400 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -0.6591    2.7357   -1.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6658    1.2790   -1.6762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144    0.3689   -0.5237 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4024   -0.2923   -0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2818   -1.2309    0.7788 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6162    0.2062   -0.4174 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
M  END
$$$$

     RDKit          3D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -3.5745   -0.5953    2.9462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1046   -0.2025    2.8028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625   -0.6974    1.4636 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0878   -0.5376    1.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8003   -2.2188    1.3983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2940   -2.4742    1.5447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7465   -2.0025    2.8106 O   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  1  1  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
    0.5070   -0.8403   -2.4343 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4584    0.0718   -1.6175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862    0.9673   -1.5466 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9416    0.5834   -1.8361 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3835    0.3605   -0.6345 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
  2  5  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    0.5070   -0.8403   -2.4343 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4584    0.0718   -1.6175 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3835    0.3605   -0.6345 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862    0.9673   -1.5466 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
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.3232   -1.2619    0.3445 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1161   -0.4986   -0.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6785    0.6404   -0.8533 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    1.3232   -1.2619    0.3445 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1161   -0.4986   -0.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6785    0.6404   -0.8533 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2942    0.9453   -1.1914 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
$$$$

     RDKit          3D

  5  5  0  0  0  0  0  0  0  0999 V2000
   -2.7683   -0.4424    2.8884 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7224    0.4114    2.8237 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1251    0.4334    1.5881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7690   -0.4301    0.8232 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7461   -0.9443    1.6444 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  1  4  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.0729    2.3061    3.3429 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.4405    2.0559    2.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0649    1.2268    1.2836 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
M  CHG  1   1  -1
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    0.0729    2.3061    3.3429 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.4405    2.0559    2.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6655    2.8800    1.6277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0649    1.2268    1.2836 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
M  CHG  1   1  -1
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -2.3247   -2.4977    2.4830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1842   -2.3469    1.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9967   -2.0754    0.6511 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  5  5  0  0  0  0  0  0  0  0999 V2000
    0.3961   -0.4326    1.8845 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8480    0.5111    0.7624 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3096    0.4025    0.7725 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7943   -0.1873    2.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5423   -0.2990    2.8881 C   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  1  1  0
M  END
$$$$

     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -5.5909   -3.1229   -1.0775 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9804   -1.9564   -1.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9276   -0.9884   -1.3342 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6457   -2.0740   -2.7306 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7810   -1.6621   -0.5607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3395   -2.5343    0.3685 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
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -2.3247   -2.4977    2.4830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1842   -2.3469    1.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9967   -2.0754    0.6511 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2364   -1.8774    1.3911 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
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
    1.5423   -0.2990    2.8881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7943   -0.1873    2.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3096    0.4025    0.7725 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8480    0.5111    0.7624 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3961   -0.4326    1.8845 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2364   -1.8774    1.3911 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  6
  5  1  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    1.3939    3.3956    0.1689 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1074    2.3017    0.6491 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7094    1.7967    1.9487 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2065    1.4294    0.0705 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
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
    1.3939    3.3956    0.1689 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1074    2.3017    0.6491 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7094    1.7967    1.9487 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2065    1.4294    0.0705 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3484    1.6985   -1.2395 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
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.3939    3.3956    0.1689 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1074    2.3017    0.6491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2065    1.4294    0.0705 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    1.3939    3.3956    0.1689 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1074    2.3017    0.6491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2065    1.4294    0.0705 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3484    1.6985   -1.2395 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
$$$$

     RDKit          3D

  7  7  0  0  0  0  0  0  0  0999 V2000
    3.2841   -0.8591   -2.0740 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2773   -1.4437   -1.6707 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3628   -2.1523   -2.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3369   -3.1103   -2.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2977   -2.5495   -0.7824 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8496   -2.2820    0.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8910   -1.4189   -0.3455 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
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  2  1  0
M  END
$$$$

     RDKit          3D

  5  5  0  0  0  0  0  0  0  0999 V2000
   -1.3519    2.5283    1.6308 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0767    2.8167    2.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9065    2.4819    0.8432 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2218    1.2983    0.3183 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2240    1.6075    0.4058 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  1  0
  5  1  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    2.3899    0.2192   -2.5576 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0950    0.4800   -1.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3600   -0.8061   -0.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  6
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    2.3899    0.2192   -2.5576 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0950    0.4800   -1.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6339    0.9607   -1.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  1
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -1.3519    2.5283    1.6308 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0767    2.8167    2.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9065    2.4819    0.8432 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2218    1.2983    0.3183 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6339    0.9607   -1.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2240    1.6075    0.4058 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  1  0
  4  6  1  0
  6  1  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    2.3899    0.2192   -2.5576 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0950    0.4800   -1.1751 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6339    0.9607   -1.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3600   -0.8061   -0.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  6
  2  4  1  0
M  END
$$$$

     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -1.3338   -1.0724   -2.0837 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6593   -0.6001   -1.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9426   -0.3614   -0.5670 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5716   -0.2004    0.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9012    0.3319    1.0651 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6890   -0.5146   -0.4341 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
  4  6  1  0
M  END
$$$$

     RDKit          3D

  5  5  0  0  0  0  0  0  0  0999 V2000
    2.0733    0.3033    1.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4113    0.3668    1.8615 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1655   -0.1451    0.9026 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2740   -0.7245   -0.4620 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8246   -0.2593    0.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  1  4  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    3.7211   -1.9291   -2.5486 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1268   -1.1507   -1.8125 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7086   -0.0649   -1.1972 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -1.3075    1.2156   -1.0752 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3289    0.1496   -0.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4606   -0.5387   -0.0633 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
    2.1638   -1.2765    2.5434 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6324   -0.8375    1.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1344   -0.8209    1.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0485   -0.5917   -0.1335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1905    0.2035   -0.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2122   -0.2539    0.4024 N   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  0
  6  2  1  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -0.6435   -1.4395   -0.7840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8451   -1.3658   -0.6918 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6030   -0.4550   -0.1197 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742   -0.9244   -0.3764 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8992   -2.0643   -1.0884 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5537   -2.3579   -1.2974 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  2  4  0
M  END
$$$$

     RDKit          3D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -0.6435   -1.4395   -0.7840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3432   -0.8690    0.3859 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8451   -1.3658   -0.6918 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6030   -0.4550   -0.1197 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742   -0.9244   -0.3764 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8992   -2.0643   -1.0884 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5537   -2.3579   -1.2974 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  3  1  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  7  4  0
  7  3  4  0
M  END
$$$$

     RDKit          3D

  5  5  0  0  0  0  0  0  0  0999 V2000
    2.8992   -2.0643   -1.0884 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5537   -2.3579   -1.2974 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8451   -1.3658   -0.6918 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6030   -0.4550   -0.1197 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742   -0.9244   -0.3764 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  1  4  0
M  END
$$$$

     RDKit          3D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.7332   -1.4500   -0.0334 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0147   -0.6459    0.5541 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3512   -0.0286    1.7609 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5518   -0.4850    2.4618 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1567    0.5731    3.4145 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1611    1.9709    2.9409 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3679    2.3122    2.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9039    2.3437    2.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1907    1.2534    2.2223 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  3  1  0
M  END
$$$$

     RDKit          3D

  8  8  0  0  0  0  0  0  0  0999 V2000
    0.7332   -1.4500   -0.0334 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0147   -0.6459    0.5541 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3512   -0.0286    1.7609 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5518   -0.4850    2.4618 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1567    0.5731    3.4145 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1611    1.9709    2.9409 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9039    2.3437    2.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1907    1.2534    2.2223 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
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    1.2005    0.3899   -2.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7620   -0.7906   -1.4586 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0591   -1.6176   -0.5918 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5710   -2.5800   -0.0190 O   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
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
    1.2005    0.3899   -2.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7620   -0.7906   -1.4586 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2174   -0.9647   -1.5551 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0591   -1.6176   -0.5918 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5710   -2.5800   -0.0190 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
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -2.9898    1.1354    1.3492 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9881    0.2580    0.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0429   -0.0666   -0.3303 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.0240    0.8807    0.5040 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8963   -0.3348    0.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6351   -0.9284    0.7941 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4260   -2.2995    1.2618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8042   -2.9296    0.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0398   -2.0502    0.7808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7729   -0.6337    0.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5277   -0.0391    0.9199 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
  7  6  1  6
  7  8  1  0
  8  3  1  0
M  END
$$$$

     RDKit          3D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.0240    0.8807    0.5040 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8963   -0.3348    0.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1012   -1.2733    0.6728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6351   -0.9284    0.7941 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4260   -2.2995    1.2618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8042   -2.9296    0.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0398   -2.0502    0.7808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7729   -0.6337    0.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5277   -0.0391    0.9199 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
  8  7  1  6
  8  9  1  0
  9  4  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.3149   -2.1598    1.4725 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0699   -1.2571    0.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3584   -0.7522    0.3439 N   0  0  0  0  0  4  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
M  CHG  1   3   1
M  END
$$$$

     RDKit          3D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.5416    0.2524   -2.4347 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0663   -0.1819   -1.1419 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3777   -1.4376   -0.9492 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0364    1.0282   -0.5249 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3497    0.7298    0.7829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9496   -0.0892    0.6125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8395    0.5650   -0.3791 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1786    0.7310   -1.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0712    1.6131   -1.5173 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  9  1  0
  9  4  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -0.2110   -2.4594    1.1609 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2329   -1.2374    1.0998 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7018   -0.4122    0.5185 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  7  6  0  0  0  0  0  0  0  0999 V2000
    0.2807   -0.3287    1.3157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2312   -0.5851    0.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4833   -1.0174   -0.8703 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8898   -0.9437   -0.7560 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5606   -0.2520   -1.7455 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0243    0.0220   -2.8194 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5734   -0.4893   -0.0438 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
  2  7  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    3.7634    1.8013   -0.8911 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7209    0.5073   -0.2729 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2486    0.1059   -0.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  6
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -0.3942   -0.8017   -0.5045 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2679   -0.3797   -1.4466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2270   -0.2933   -2.7176 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5527    0.0569   -1.3677 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
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -3.5790    0.2011   -3.9577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7044    0.0039   -2.7112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5021   -0.8948   -3.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -0.3942   -0.8017   -0.5045 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2679   -0.3797   -1.4466 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5527    0.0569   -1.3677 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2486    0.1059   -0.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2270   -0.2933   -2.7176 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
  2  5  1  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -0.3942   -0.8017   -0.5045 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2679   -0.3797   -1.4466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2270   -0.2933   -2.7176 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5021   -0.8948   -3.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5527    0.0569   -1.3677 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
  2  5  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -3.5790    0.2011   -3.9577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7044    0.0039   -2.7112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5792   -0.5972   -1.5961 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
M  END
$$$$

     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -0.3942   -0.8017   -0.5045 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2679   -0.3797   -1.4466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2270   -0.2933   -2.7176 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5021   -0.8948   -3.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5527    0.0569   -1.3677 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2486    0.1059   -0.0869 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
M  END
$$$$

     RDKit          3D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -0.3942   -0.8017   -0.5045 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2679   -0.3797   -1.4466 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5527    0.0569   -1.3677 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2486    0.1059   -0.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7209    0.5073   -0.2729 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634    1.8013   -0.8911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2270   -0.2933   -2.7176 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  1
  2  7  1  0
M  END
$$$$

     RDKit          3D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -3.5790    0.2011   -3.9577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7044    0.0039   -2.7112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5021   -0.8948   -3.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2270   -0.2933   -2.7176 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2679   -0.3797   -1.4466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3942   -0.8017   -0.5045 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5527    0.0569   -1.3677 N   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
  5  6  2  0
  5  7  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -3.5790    0.2011   -3.9577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7044    0.0039   -2.7112 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5021   -0.8948   -3.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5792   -0.5972   -1.5961 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
  2  4  1  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -2.7246   -2.8061   -1.3330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1742   -2.0732   -0.5277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5591   -2.5234    0.7759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7357   -1.3112    1.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5013   -0.1353    0.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0350   -0.6976   -0.6203 N   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  0
  6  2  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.4093    0.2134    2.1405 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6070   -0.5483    1.2009 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6347   -1.3909    0.6975 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -2.7246   -2.8061   -1.3330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1742   -2.0732   -0.5277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5591   -2.5234    0.7759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7357   -1.3112    1.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5013   -0.1353    0.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0350   -0.6976   -0.6203 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7036    0.1115   -1.6237 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  0
  6  7  1  0
  6  2  1  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
    1.7441   -2.0958   -0.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4922   -1.7238   -1.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7528   -2.3935   -0.7955 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4797   -3.8473   -0.7135 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8228   -4.2221    0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9565   -3.5231   -0.5103 O   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  1
  5  6  1  0
  6  1  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -4.1058    1.5692   -3.0398 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6928    1.6257   -1.8831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2516    1.0084   -0.7735 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -1.9420    1.0296    0.8386 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1582    0.8886   -0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0756    0.0598   -0.0959 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3425   -0.6784    1.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1437    0.1615    2.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2993    1.5334   -1.2907 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
  2  6  1  0
M  END
$$$$

     RDKit          3D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -1.9420    1.0296    0.8386 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1582    0.8886   -0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0756    0.0598   -0.0959 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3425   -0.6784    1.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1437    0.1615    2.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2993    1.5334   -1.2907 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250    2.4163   -1.5371 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
  2  6  1  0
  6  7  1  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -1.9420    1.0296    0.8386 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1582    0.8886   -0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0756    0.0598   -0.0959 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3425   -0.6784    1.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2993    1.5334   -1.2907 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
  2  5  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -4.1058    1.5692   -3.0398 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6928    1.6257   -1.8831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250    2.4163   -1.5371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2516    1.0084   -0.7735 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
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.9420    1.0296    0.8386 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1582    0.8886   -0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2993    1.5334   -1.2907 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0756    0.0598   -0.0959 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
M  END
$$$$

     RDKit          3D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -4.1058    1.5692   -3.0398 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6928    1.6257   -1.8831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250    2.4163   -1.5371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2993    1.5334   -1.2907 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1582    0.8886   -0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9420    1.0296    0.8386 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0756    0.0598   -0.0959 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2516    1.0084   -0.7735 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
  5  7  1  0
  2  8  1  0
M  END
$$$$

     RDKit          3D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -1.9420    1.0296    0.8386 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1582    0.8886   -0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0756    0.0598   -0.0959 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3425   -0.6784    1.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1437    0.1615    2.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3760    0.8608    1.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2993    1.5334   -1.2907 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250    2.4163   -1.5371 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
  2  7  1  0
  7  8  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.1437    0.1615    2.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3425   -0.6784    1.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3760    0.8608    1.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  3  1  0
M  END
$$$$

     RDKit          3D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -1.9420    1.0296    0.8386 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1582    0.8886   -0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0756    0.0598   -0.0959 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3425   -0.6784    1.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1437    0.1615    2.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3760    0.8608    1.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2993    1.5334   -1.2907 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
  2  7  1  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -1.9420    1.0296    0.8386 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1582    0.8886   -0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2993    1.5334   -1.2907 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250    2.4163   -1.5371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0756    0.0598   -0.0959 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
  2  5  1  0
M  END
$$$$

     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -1.9420    1.0296    0.8386 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1582    0.8886   -0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2993    1.5334   -1.2907 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250    2.4163   -1.5371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0756    0.0598   -0.0959 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3425   -0.6784    1.0759 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
M  END
$$$$

     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
    0.4802   -0.3582    2.0701 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9916    0.2059    1.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2944    0.1621    0.6746 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1035    1.1036    0.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5696    1.6343   -0.7757 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1965    1.2043    0.6669 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
  4  6  1  0
M  END
$$$$

     RDKit          3D

  7  7  0  0  0  0  0  0  0  0999 V2000
    0.3752   -1.7186    2.9807 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6409   -1.4308    2.5489 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7013   -0.7219    1.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9676   -0.4179    0.9174 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6215   -0.3264    0.6832 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5819   -0.6531    1.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7368   -1.3447    2.3211 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0
  2  3  4  0
  3  4  1  0
  3  5  4  0
  5  6  4  0
  6  7  4  0
  7  1  4  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
    0.3752   -1.7186    2.9807 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6409   -1.4308    2.5489 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7013   -0.7219    1.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6215   -0.3264    0.6832 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5819   -0.6531    1.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7368   -1.3447    2.3211 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  1  4  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
    0.2968    1.0685    0.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2496   -0.3557    0.7881 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6272   -1.0181    0.7377 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152   -0.9980   -0.6837 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2521    0.4350   -1.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8721    1.0896   -1.1901 C   0  0  0  0  0  0  0  0  0  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
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -1.4015    2.0868    1.4195 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4096    1.4953    0.9741 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7867    2.1313    0.8841 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.4015    2.0868    1.4195 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4096    1.4953    0.9741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5669    0.0283    0.5419 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7867    2.1313    0.8841 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
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -1.8658   -1.6461    0.8192 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5397   -1.7543   -0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4506   -2.5022   -0.7651 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.8658   -1.6461    0.8192 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5397   -1.7543   -0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4506   -2.5022   -0.7651 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5325   -2.9959    0.1653 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
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.4689    0.7478   -0.9014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9292    0.2479   -0.7150 N   0  0  0  0  0  4  0  0  0  0  0  0
   -1.3429    0.0204    0.7155 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
M  CHG  1   2   1
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.3429    0.0204    0.7155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8020   -0.4419    0.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9292    0.2479   -0.7150 N   0  0  0  0  0  4  0  0  0  0  0  0
    0.4689    0.7478   -0.9014 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  3  1  0
  3  4  1  0
M  CHG  1   3   1
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -1.3429    0.0204    0.7155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8020   -0.4419    0.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9292    0.2479   -0.7150 N   0  0  0  0  0  4  0  0  0  0  0  0
  1  2  1  0
  1  3  1  0
M  CHG  1   3   1
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
    2.3584   -1.6148   -2.5719 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8827   -1.1085   -1.5670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4189   -0.7556   -1.4495 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2193   -0.5931    0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5790   -0.0898    0.5115 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5212   -0.7156   -0.3817 N   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  0
  6  2  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -0.6900    1.3746    1.0767 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9004    0.3674    0.4099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333   -0.0558   -0.0489 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.7487   -1.1612    0.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5254   -0.4222    0.9118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5332   -1.8251    0.5550 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  1  3  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -1.0207    1.2705    0.8729 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7062    0.3758    0.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5738   -0.4051   -0.6605 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.8331    1.5594    1.0864 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4713    0.6433    0.3599 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2738   -0.2504   -0.3174 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -3.0514   -0.8186    2.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2493   -0.4177    1.3109 N   0  0  0  0  0  4  0  0  0  0  0  0
   -0.7423   -0.5063    1.5551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0057   -0.7235    0.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6449   -1.0455   -0.7710 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3467   -0.5289    0.2588 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6503    0.9205    0.7241 C   0  0  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
M  CHG  1   2   1
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -0.6449   -1.0455   -0.7710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0057   -0.7235    0.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7423   -0.5063    1.5551 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3467   -0.5289    0.2588 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
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -0.6449   -1.0455   -0.7710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0057   -0.7235    0.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3467   -0.5289    0.2588 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -1.4307    1.6374   -2.4735 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6813    0.6098   -1.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8498    0.0916   -0.8827 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -1.3842   -0.0081    1.2311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3544    0.2064    0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2364    0.2955   -0.7808 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.1213   -1.4491   -2.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3518   -1.8030   -2.5928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7845   -2.3140   -1.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  3  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -0.3518   -1.8030   -2.5928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3480   -0.7288   -2.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1213   -1.4491   -2.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  3  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -0.3518   -1.8030   -2.5928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1213   -1.4491   -2.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7845   -2.3140   -1.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3480   -0.7288   -2.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  1  4  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -0.4269   -3.1026    0.4610 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6581   -1.9136    0.2726 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3152   -0.9764    0.0865 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -0.4269   -3.1026    0.4610 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6581   -1.9136    0.2726 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3152   -0.9764    0.0865 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6425   -1.5102    0.1314 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
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
    1.6194   -2.1542    0.6976 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3830   -1.8556   -0.4276 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3850   -2.6538   -0.8791 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6710   -3.7523   -0.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9967   -4.1041    1.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9553   -3.2872    1.4434 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  1  4  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
    3.7528   -1.3382    1.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5956   -0.3463    1.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4090   -0.9111    0.3632 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5343   -1.8734   -0.3896 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2331   -0.2050    0.5811 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  3  4  2  0
  3  5  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.5343   -1.8734   -0.3896 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4090   -0.9111    0.3632 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2331   -0.2050    0.5811 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
    2.7198   -1.3162   -1.2162 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6865   -2.0740   -2.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4879   -2.2617   -3.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3088   -1.7088   -2.5925 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3145   -0.9753   -1.4022 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5218   -0.7851   -0.7183 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  1  4  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -0.3960    0.6017    1.0507 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1908    0.2541    0.1866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9215   -0.4741   -0.9571 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -0.0470    2.5919   -0.3649 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6699    1.7291    0.6284 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0730    2.3512    1.8867 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2651    0.4581    0.9921 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5887   -0.4721    0.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2854   -0.6333   -1.0496 O   0  0  0  0  0  1  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
M  CHG  1   6  -1
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    2.9396   -1.0281    0.9728 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5102   -1.5387    0.7758 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6712   -0.8029   -0.3537 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  3  1  0
M  END
$$$$

     RDKit          3D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -0.0470    2.5919   -0.3649 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6699    1.7291    0.6284 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0730    2.3512    1.8867 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2651    0.4581    0.9921 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5887   -0.4721    0.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2854   -0.6333   -1.0496 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.5102   -1.5387    0.7758 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  3
  5  6  1  0
  5  7  1  0
M  CHG  1   6  -1
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -1.8870   -1.8297    0.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5580   -2.8996   -0.5094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2665   -4.2271   -0.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3042   -4.5162    0.7657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6029   -3.4793    1.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8603   -2.1340    1.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  1  4  0
M  END
$$$$

     RDKit          3D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -2.5580   -2.8996   -0.5094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2665   -4.2271   -0.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3042   -4.5162    0.7657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6029   -3.4793    1.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8603   -2.1340    1.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0236   -1.0670    1.6375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8870   -1.8297    0.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  1  0
  5  7  4  0
  7  1  4  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
    2.0136    1.0739    0.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9858    0.9149    1.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2620    0.7025    1.7525 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2734    1.2566   -0.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1658    0.1992    0.0244 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  1  4  1  0
  4  5  1  0
M  END
$$$$

     RDKit          3D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -2.0155   -2.5873    2.6199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0537   -1.1631    2.3799 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4185   -0.2106    3.4043 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5256   -0.7360    1.8154 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2620    0.7025    1.7525 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9858    0.9149    1.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0136    1.0739    0.4081 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  3  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    2.0136    1.0739    0.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9858    0.9149    1.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2734    1.2566   -0.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1658    0.1992    0.0244 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  1  3  1  0
  3  4  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -2.0155   -2.5873    2.6199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0537   -1.1631    2.3799 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4185   -0.2106    3.4043 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5256   -0.7360    1.8154 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
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    2.0136    1.0739    0.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9858    0.9149    1.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2734    1.2566   -0.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  1  3  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    0.9858    0.9149    1.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0136    1.0739    0.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2734    1.2566   -0.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2620    0.7025    1.7525 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  1  4  1  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -2.0155   -2.5873    2.6199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0537   -1.1631    2.3799 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4185   -0.2106    3.4043 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5256   -0.7360    1.8154 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2620    0.7025    1.7525 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
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.9858    0.9149    1.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0136    1.0739    0.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2620    0.7025    1.7525 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  1  3  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.4819    0.3137    2.3317 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2888    0.0229    1.4539 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9698   -0.5083    0.2223 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  7  7  0  0  0  0  0  0  0  0999 V2000
    0.8825   -1.5198   -2.2635 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3126   -1.3581   -1.6077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5084   -1.7098   -2.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7098   -1.5350   -1.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7182   -1.0095   -0.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4993   -0.6605    0.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2921   -0.8315   -0.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  7  4  0
  7  2  4  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.2144    1.9550   -0.7050 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8811    0.8491   -0.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7441   -0.1912    0.0018 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -0.8514    1.5222    2.4707 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1762    0.9504    2.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2722   -0.0020    1.1421 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  5  5  0  0  0  0  0  0  0  0999 V2000
   -0.5855   -1.1388   -0.7579 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8371   -1.2251   -1.3370 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6364   -0.4864   -0.5943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9935    0.0998    0.4611 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7234   -0.3591    0.2921 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  1  4  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -2.1853    1.3345   -0.4267 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5824    1.1104   -1.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7843    2.0713   -2.0528 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3896    3.2561   -1.3014 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7210    2.9572   -0.2836 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
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    2.4445    1.5630    1.3961 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2397    1.3425    1.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3160    2.0239    0.7537 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7210    2.9572   -0.2836 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
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    2.4445    1.5630    1.3961 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2397    1.3425    1.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3160    2.0239    0.7537 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.1574    2.4006    2.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5069    1.3897    1.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0969    2.3089   -0.4754 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7025    0.9273   -1.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -1.1574    2.4006    2.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5069    1.3897    1.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0969    2.3089   -0.4754 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
M  END
$$$$

     RDKit          3D

  7  7  0  0  0  0  0  0  0  0999 V2000
    0.2047   -2.9281    0.0871 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4391   -1.5775    0.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5974   -0.8230    0.5659 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3332    0.4761    0.7008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8810    1.0094    0.5469 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8619    0.1606    0.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6768   -1.1455    0.0971 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  7  4  0
  7  2  4  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -0.4925    1.5914   -1.3880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1756    0.7407   -0.5642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0285   -0.1105    0.1035 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    2.6009   -1.5633    0.9917 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2863   -1.9273   -0.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9701   -1.6044   -1.2685 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    2.6009   -1.5633    0.9917 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2863   -1.9273   -0.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0677   -2.7566   -0.4678 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9701   -1.6044   -1.2685 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
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.5976    1.8596   -4.3140 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4173    0.7557   -3.8096 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3454    0.4657   -2.9958 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
    1.5976    1.8596   -4.3140 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4173    0.7557   -3.8096 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3454    0.4657   -2.9958 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5916    1.4936   -2.5918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8201    0.9300   -1.8693 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
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    1.5976    1.8596   -4.3140 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4173    0.7557   -3.8096 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3454    0.4657   -2.9958 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5916    1.4936   -2.5918 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
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -0.3003   -3.5849   -0.6854 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2037   -2.1518   -0.8401 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6001   -1.9528   -0.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1337   -2.8201    0.4789 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1804   -0.7395   -0.5628 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  3  4  2  0
  3  5  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    2.1337   -2.8201    0.4789 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6001   -1.9528   -0.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1804   -0.7395   -0.5628 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.7040   -2.4158   -0.9967 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5880   -1.5144   -0.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3244   -0.4805   -0.1562 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
    1.1705   -2.4899    2.0352 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6172   -1.4767    0.9823 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5880   -1.5144   -0.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7040   -2.4158   -0.9967 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3244   -0.4805   -0.1562 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  3  4  2  0
  3  5  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    2.0966    2.0683    2.8274 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2901    0.9491    2.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750   -0.2099    2.9187 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6051   -0.1572    3.7672 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
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    2.0966    2.0683    2.8274 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2901    0.9491    2.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750   -0.2099    2.9187 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -0.6254   -0.3514    2.9151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0959    0.6999    2.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1255    0.4913    1.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7086   -0.7686    1.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2840   -1.8056    1.9028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2410   -1.6037    2.8123 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  1  4  0
M  END
$$$$

     RDKit          3D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.0959    0.6999    2.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1255    0.4913    1.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7086   -0.7686    1.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2840   -1.8056    1.9028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2410   -1.6037    2.8123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6254   -0.3514    2.9151 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6051   -0.1572    3.7672 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  7  1  0
  6  1  4  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -3.4598    0.7175   -1.3701 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0382   -0.2915   -0.9842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7118   -1.0609    0.1182 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -1.6837   -2.9486   -1.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8536   -2.1870    0.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0879   -3.1851    1.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6620   -1.2221    0.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6085   -1.9553    0.5725 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7872   -1.0603    0.5728 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0106   -1.8650    1.0343 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  1
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -1.6837   -2.9486   -1.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8536   -2.1870    0.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0879   -3.1851    1.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6620   -1.2221    0.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6085   -1.9553    0.5725 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  6
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    3.0106   -1.8650    1.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7872   -1.0603    0.5728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6085   -1.9553    0.5725 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    0.8679   -0.5119    1.8903 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3333    0.4611    1.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6148    0.9230    1.5233 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5351    0.2174    2.3972 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
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
    0.8679   -0.5119    1.8903 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3333    0.4611    1.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6148    0.9230    1.5233 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5351    0.2174    2.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0803   -1.0800    1.7853 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
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.8679   -0.5119    1.8903 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3333    0.4611    1.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6148    0.9230    1.5233 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.1571    3.1808   -2.0796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0633    2.6782   -0.9779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8957    1.5986   -0.7731 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
    0.1571    3.1808   -2.0796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0633    2.6782   -0.9779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8957    1.5986   -0.7731 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4972    0.8281   -1.8722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2692    1.6936   -2.9032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4153    2.2256   -3.9111 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  6
  5  6  1  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
    0.1571    3.1808   -2.0796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0633    2.6782   -0.9779 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5991    3.1985    0.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8215    2.3436    0.5831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8957    1.5986   -0.7731 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
  2  5  1  0
M  END
$$$$

     RDKit          3D

  7  6  0  0  0  0  0  0  0  0999 V2000
    0.1571    3.1808   -2.0796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0633    2.6782   -0.9779 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5991    3.1985    0.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8957    1.5986   -0.7731 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4972    0.8281   -1.8722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2692    1.6936   -2.9032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4153    2.2256   -3.9111 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  6
  6  7  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.8215    2.3436    0.5831 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5991    3.1985    0.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3724    1.0997    1.1429 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  3  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    0.1571    3.1808   -2.0796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0633    2.6782   -0.9779 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5991    3.1985    0.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8957    1.5986   -0.7731 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
M  END
$$$$

     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
    0.1571    3.1808   -2.0796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0633    2.6782   -0.9779 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5991    3.1985    0.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8215    2.3436    0.5831 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3724    1.0997    1.1429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8957    1.5986   -0.7731 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
  2  6  1  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -0.1523    2.4494   -2.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8008    1.8686   -0.9977 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1947    2.2274    0.6913 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    0.3738   -1.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3432   -0.2871   -1.9909 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
  2  4  1  0
  4  5  2  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -0.1523    2.4494   -2.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8008    1.8686   -0.9977 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1947    2.2274    0.6913 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -0.1523    2.4494   -2.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8008    1.8686   -0.9977 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    0.3738   -1.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3432   -0.2871   -1.9909 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  3  4  2  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
    2.6317    0.0288    0.4225 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0458   -0.3042    1.7156 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0985   -0.6671    2.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7373   -0.6846    2.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115   -0.3408    1.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2656    0.0116    0.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  1  4  0
M  END
$$$$

     RDKit          3D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.1816   -1.0978    2.5225 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1606   -0.5721    1.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0357   -0.2824    0.6737 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115   -0.3408    1.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7373   -0.6846    2.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0985   -0.6671    2.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0458   -0.3042    1.7156 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6317    0.0288    0.4225 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2656    0.0116    0.1095 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  4  0
  5  6  4  0
  6  7  4  0
  7  8  4  0
  8  9  4  0
  9  4  4  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    3.1816    1.1048   -1.6005 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5834    0.4539   -0.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8934    0.0573   -0.4958 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8669    0.3468   -1.5243 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
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    3.1816    1.1048   -1.6005 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5834    0.4539   -0.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8934    0.0573   -0.4958 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -2.1816   -1.0978    2.5225 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1606   -0.5721    1.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0357   -0.2824    0.6737 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    2.5800    2.8087    0.7715 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3984    2.3520   -0.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3210    1.2890   -0.0755 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1045    2.9931    0.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  1  4  1  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -1.5984    2.6513   -0.2527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8619    1.6667   -0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4735    1.7385    0.0845 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1045    2.9931    0.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5800    2.8087    0.7715 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
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    3.3984    2.3520   -0.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5800    2.8087    0.7715 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3210    1.2890   -0.0755 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  3  1  0
M  END
$$$$

     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -1.5984    2.6513   -0.2527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8619    1.6667   -0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4735    1.7385    0.0845 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1045    2.9931    0.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5800    2.8087    0.7715 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3984    2.3520   -0.4416 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
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    2.5800    2.8087    0.7715 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1045    2.9931    0.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3984    2.3520   -0.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  3  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -1.5984    2.6513   -0.2527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8619    1.6667   -0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4735    1.7385    0.0845 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.5984    2.6513   -0.2527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8619    1.6667   -0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4735    1.7385    0.0845 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1045    2.9931    0.4364 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
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.8697   -0.8103   -2.3780 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9247   -0.1901   -1.3227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1893    0.2000   -0.6231 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.8218   -1.3458    1.1079 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3451   -0.7633    0.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0605   -1.0775   -1.1412 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    0.8218   -1.3458    1.1079 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3451   -0.7633    0.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0605   -1.0775   -1.1412 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0386   -2.0524   -1.4808 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
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -0.4411    0.2838   -0.0395 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0065    1.0098   -0.8551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3778    1.1911   -0.9681 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -0.4411    0.2838   -0.0395 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0065    1.0098   -0.8551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2213    1.8484   -1.8723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3778    1.1911   -0.9681 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
M  END
$$$$

     RDKit          3D

  8  8  0  0  0  0  0  0  0  0999 V2000
    4.4816    1.6768   -1.9726 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3652    0.8295   -1.3529 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8087   -0.0370   -2.3749 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4970    0.2576   -2.6555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7929   -0.3931   -3.4089 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1325    1.3528   -1.9385 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1459    1.7520   -1.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0973    2.6883   -0.3224 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  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  7  2  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.2566    1.4974   -1.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9740    0.4462   -0.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2612    0.8182    0.2954 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -0.9198    3.2098   -2.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1984    2.2493   -1.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3117    2.5720   -1.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -0.9198    3.2098   -2.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1984    2.2493   -1.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3117    2.5720   -1.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1345    1.5248   -0.3243 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0075    0.2750   -1.0062 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
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -2.6128    1.9213    1.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0387    1.7644    0.5469 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172    2.3819    0.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2570    3.0706    1.1549 O   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
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    2.1345    1.5248   -0.3243 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3117    2.5720   -1.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0075    0.2750   -1.0062 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  3  1  0
M  END
$$$$

     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -0.9198    3.2098   -2.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1984    2.2493   -1.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172    2.3819    0.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2570    3.0706    1.1549 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0387    1.7644    0.5469 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6128    1.9213    1.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
M  END
$$$$

     RDKit          3D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -0.9198    3.2098   -2.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1984    2.2493   -1.1006 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3117    2.5720   -1.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172    2.3819    0.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2570    3.0706    1.1549 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0387    1.7644    0.5469 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6128    1.9213    1.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -0.9198    3.2098   -2.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1984    2.2493   -1.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3117    2.5720   -1.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1345    1.5248   -0.3243 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -2.6128    1.9213    1.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0387    1.7644    0.5469 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6475    0.7302   -0.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172    2.3819    0.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2570    3.0706    1.1549 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
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
    0.6156   -2.5029   -0.9869 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5362   -1.8574    0.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5677   -1.1450    0.4448 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7771   -1.1872   -0.3521 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5507   -1.7242    0.9609 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
  2  5  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    0.6156   -2.5029   -0.9869 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5362   -1.8574    0.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5677   -1.1450    0.4448 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5507   -1.7242    0.9609 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
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
    0.6156   -2.5029   -0.9869 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5362   -1.8574    0.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5507   -1.7242    0.9609 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8778   -2.2394    0.6661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5677   -1.1450    0.4448 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
  2  5  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.7011    0.6323   -1.9146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5124    0.1769   -0.4628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5665    0.8223    0.5044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3523    0.3092    1.9407 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
M  END
$$$$

     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
    2.3356    1.4525    0.4272 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2934    0.2985    0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3307   -0.5790   -0.2010 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9208   -0.3332   -0.2974 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8698   -1.4721   -0.7411 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1476    0.4977   -0.0474 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
  4  6  1  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -0.0867   -1.7713   -3.5943 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2766   -0.7349   -3.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3179    0.1501   -3.7066 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6970   -0.0189   -3.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1603   -0.2507   -1.8284 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
  2  5  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -0.0867   -1.7713   -3.5943 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2766   -0.7349   -3.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1603   -0.2507   -1.8284 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -0.0867   -1.7713   -3.5943 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2766   -0.7349   -3.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3179    0.1501   -3.7066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1603   -0.2507   -1.8284 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
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.5817   -2.8969    2.7938 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1632   -2.0259    2.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8890   -1.3457    1.0744 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
    0.5817   -2.8969    2.7938 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1632   -2.0259    2.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3035   -1.5859    2.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5593   -0.5749    1.1237 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8890   -1.3457    1.0744 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
  2  5  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    0.5817   -2.8969    2.7938 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1632   -2.0259    2.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3035   -1.5859    2.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8890   -1.3457    1.0744 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
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -0.1639    0.8407   -0.5212 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1537    1.0269    0.6487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6600    1.7683    1.4765 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.5160    1.3140 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
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -0.1639    0.8407   -0.5212 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1537    1.0269    0.6487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6600    1.7683    1.4765 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7965    2.5228    0.9536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.5160    1.3140 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
  2  5  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    1.3636   -4.1356   -0.9333 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9608   -3.1774   -1.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7329   -2.6304   -2.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1866   -2.4842   -1.2890 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
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    0.0879   -2.3104    1.9400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0785   -1.8673    1.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3836   -2.0857    1.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1074   -2.8506   -0.2151 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
M  END
$$$$

     RDKit          3D

  7  6  0  0  0  0  0  0  0  0999 V2000
    0.0879   -2.3104    1.9400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0785   -1.8673    1.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3836   -2.0857    1.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1074   -2.8506   -0.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1866   -2.4842   -1.2890 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9608   -3.1774   -1.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3636   -4.1356   -0.9333 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
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.3636   -4.1356   -0.9333 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9608   -3.1774   -1.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1866   -2.4842   -1.2890 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
    1.3636   -4.1356   -0.9333 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9608   -3.1774   -1.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7329   -2.6304   -2.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0355   -1.9658   -2.3469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1866   -2.4842   -1.2890 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
  2  5  1  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
    1.3636   -4.1356   -0.9333 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9608   -3.1774   -1.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7329   -2.6304   -2.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1866   -2.4842   -1.2890 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1074   -2.8506   -0.2151 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
M  END
$$$$

     RDKit          3D

  8  7  0  0  0  0  0  0  0  0999 V2000
    0.0879   -2.3104    1.9400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0785   -1.8673    1.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3836   -2.0857    1.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1074   -2.8506   -0.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1866   -2.4842   -1.2890 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9608   -3.1774   -1.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3636   -4.1356   -0.9333 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7329   -2.6304   -2.7720 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
M  END
$$$$

     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
    1.3636   -4.1356   -0.9333 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9608   -3.1774   -1.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7329   -2.6304   -2.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0355   -1.9658   -2.3469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1866   -2.4842   -1.2890 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1074   -2.8506   -0.2151 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
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    1.3636   -4.1356   -0.9333 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9608   -3.1774   -1.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1866   -2.4842   -1.2890 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1074   -2.8506   -0.2151 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
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    3.4596   -1.1675   -2.2427 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7221   -0.8285   -1.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6332   -0.4900   -0.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0342   -0.7661   -0.7253 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
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    3.4596   -1.1675   -2.2427 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7221   -0.8285   -1.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0342   -0.7661   -0.7253 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    0.4157   -2.2907    2.0232 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2924   -1.4805    1.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1298   -0.3974    0.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2580    0.2457    0.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  1  1
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    0.4157   -2.2907    2.0232 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2924   -1.4805    1.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1298   -0.3974    0.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    0.6751    0.3880 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  1  6
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
    0.4157   -2.2907    2.0232 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2924   -1.4805    1.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1298   -0.3974    0.1934 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2580    0.2457    0.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    0.6751    0.3880 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  1  1
  3  5  1  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -2.0479   -1.6036    1.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2272   -2.1072    1.6847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4254   -3.4830    1.7903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4479   -4.3603    1.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2618   -3.8696    0.7773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0404   -2.4931    0.6663 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  1  4  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.3383   -3.8195   -0.6165 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2403   -2.6181   -0.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1580   -1.9590    0.1398 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.5865    4.1040    1.7447 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6974    3.4741    1.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6876    3.3851    1.7982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8169    2.7856   -0.0209 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
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -1.5865    4.1040    1.7447 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6974    3.4741    1.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6876    3.3851    1.7982 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8663    1.8119    2.6842 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8169    2.7856   -0.0209 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
  2  5  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -1.5865    4.1040    1.7447 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6974    3.4741    1.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8169    2.7856   -0.0209 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -1.9796    2.6455   -0.8223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1561    3.3642   -0.5799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2861    3.1842   -1.3833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2575    2.2863   -2.4436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0951    1.5608   -2.7027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9575    1.7301   -1.8996 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  1  4  0
M  END
$$$$

     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -3.9170   -2.2734    0.0709 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5702   -2.5663   -0.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6093   -1.3653   -0.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6055   -1.1837    1.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8907   -0.9252    2.0989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1585   -1.8135   -0.4363 C   0  0  0  0  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
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    2.7285    1.1613    1.1987 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6912   -0.2356    0.8669 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7778   -0.9390    1.8847 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1076   -0.8298    0.9223 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  1
  2  4  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    2.7285    1.1613    1.1987 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6912   -0.2356    0.8669 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1076   -0.8298    0.9223 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  1
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    2.7285    1.1613    1.1987 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6912   -0.2356    0.8669 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7778   -0.9390    1.8847 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  6
M  END
$$$$

     RDKit          3D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -0.3417   -1.7474    0.1008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4887   -0.8297    0.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4222   -0.4250    1.8434 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7778   -0.9390    1.8847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7955   -0.0031    0.8787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9155    0.9400    1.6454 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6830   -0.4826   -0.0624 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
  2  5  1  0
  5  6  2  0
  5  7  1  0
M  END
$$$$

     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -1.9155    0.9400    1.6454 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7955   -0.0031    0.8787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6830   -0.4826   -0.0624 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4887   -0.8297    0.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3417   -1.7474    0.1008 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4222   -0.4250    1.8434 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
  4  6  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    0.9005   -0.3860   -2.7148 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0287   -0.1969   -1.8586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2827   -0.3353   -0.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2126    0.1484   -2.3098 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
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.9005   -0.3860   -2.7148 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0287   -0.1969   -1.8586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2126    0.1484   -2.3098 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -0.0848   -1.2175   -2.7356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3172   -0.3360   -1.5836 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7140   -0.4177   -1.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -0.5447    2.9340   -1.1339 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5410    1.8019   -1.6054 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    1.0086   -1.6790 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -0.5447    2.9340   -1.1339 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5410    1.8019   -1.6054 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    1.0086   -1.6790 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8100    1.3859   -1.0259 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
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -0.5447    2.9340   -1.1339 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5410    1.8019   -1.6054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8034    1.1346   -2.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    1.0086   -1.6790 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
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -0.5447    2.9340   -1.1339 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5410    1.8019   -1.6054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8034    1.1346   -2.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    1.0086   -1.6790 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8100    1.3859   -1.0259 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
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -0.8497    0.1119    1.4462 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2357    0.4107    0.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5324    0.4475   -0.1221 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3642    0.7900   -0.6775 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
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.3753   -1.2543   -1.7606 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6209   -0.6926   -0.4618 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0734    0.7471   -0.4328 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  6
M  END
$$$$

     RDKit          3D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -0.8497    0.1119    1.4462 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2357    0.4107    0.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3642    0.7900   -0.6775 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0734    0.7471   -0.4328 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6209   -0.6926   -0.4618 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3753   -1.2543   -1.7606 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5324    0.4475   -0.1221 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  1
  2  7  1  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -0.8497    0.1119    1.4462 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2357    0.4107    0.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3642    0.7900   -0.6775 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0734    0.7471   -0.4328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5324    0.4475   -0.1221 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
  2  5  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    2.4650    0.5562   -2.0342 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3120    0.2664   -0.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9119    0.2580   -0.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -1.8931    2.4712   -2.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1965    1.4305   -1.5398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4374    1.0891   -1.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2617    0.0677   -0.1372 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9391   -0.2074    0.0058 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2974    0.5807   -0.8502 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  2  4  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
    4.3603   -0.5845    0.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5398   -1.6628    0.4043 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1456   -1.5335    0.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5389   -0.3228    0.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3508    0.7554   -0.2943 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7470    0.6256   -0.2991 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  1  4  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -0.3194    1.8400   -0.7921 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6797    0.7840   -0.2875 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1293   -0.2723    0.0930 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.8612   -1.6631   -3.6039 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3475   -0.5680   -2.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5074   -1.1216   -1.6151 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1369   -1.2721   -1.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5311   -1.6556   -0.7121 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4483   -0.8469   -2.8431 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8972   -0.7026   -2.9515 C   0  0  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
$$$$

     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
    2.8612   -1.6631   -3.6039 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3475   -0.5680   -2.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5074   -1.1216   -1.6151 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1369   -1.2721   -1.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5311   -1.6556   -0.7121 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4483   -0.8469   -2.8431 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
M  END
$$$$

     RDKit          3D

  8  8  0  0  0  0  0  0  0  0999 V2000
    3.0944   -2.4206   -1.4963 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9252   -2.0417   -1.5992 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9615   -3.0022   -1.7262 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3685   -2.7652   -1.9086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9631   -1.6853   -2.3552 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3246   -1.7402   -2.1494 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6743   -2.8537   -1.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4142   -4.0062   -1.3854 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  4  0
  5  6  4  0
  6  7  4  0
  7  8  4  0
  8  4  4  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
    1.1898    0.4048    1.8435 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5539    0.2880    0.6833 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6423   -0.2184   -0.3947 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5554   -0.5557   -1.5651 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7553    0.3494   -1.3323 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    0.6052    0.0926 N   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  0
  6  2  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    3.0944   -2.4206   -1.4963 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9252   -2.0417   -1.5992 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9615   -3.0022   -1.7262 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -2.3246   -1.7402   -2.1494 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9631   -1.6853   -2.3552 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3685   -2.7652   -1.9086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4142   -4.0062   -1.3854 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6743   -2.8537   -1.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2786   -3.0566   -0.8982 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  1  0
  5  1  4  0
M  END
$$$$

     RDKit          3D

  5  5  0  0  0  0  0  0  0  0999 V2000
   -0.9631   -1.6853   -2.3552 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3246   -1.7402   -2.1494 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6743   -2.8537   -1.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4142   -4.0062   -1.3854 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3685   -2.7652   -1.9086 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  1  4  0
M  END
$$$$

     RDKit          3D

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.0944   -2.4206   -1.4963 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9252   -2.0417   -1.5992 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9615   -3.0022   -1.7262 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3685   -2.7652   -1.9086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9631   -1.6853   -2.3552 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3246   -1.7402   -2.1494 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6743   -2.8537   -1.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2786   -3.0566   -0.8982 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4142   -4.0062   -1.3854 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  4  0
  5  6  4  0
  6  7  4  0
  7  8  1  0
  7  9  4  0
  9  4  4  0
M  END
$$$$

     RDKit          3D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -4.0829   -2.3380    0.7647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2786   -3.0566   -0.8982 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6743   -2.8537   -1.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3246   -1.7402   -2.1494 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9631   -1.6853   -2.3552 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3685   -2.7652   -1.9086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4142   -4.0062   -1.3854 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  7  4  0
  7  3  4  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -0.3414   -0.4197    1.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8575   -0.6421    1.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5363   -1.5757   -0.0122 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  3  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.8229   -1.1040    1.8111 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0618   -0.4736    0.7849 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0754    0.1560    0.0632 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -3.0066   -2.2253   -2.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7317   -1.3469   -0.9142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9028   -0.3662   -0.6965 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
    1.2614   -3.5809    1.5329 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7340   -2.2264    1.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9995   -2.0178   -0.1789 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2759   -0.7019   -0.2968 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3255   -0.1092    0.9521 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9608   -1.0593    1.8979 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  2  4  0
M  END
$$$$

     RDKit          3D

  7  7  0  0  0  0  0  0  0  0999 V2000
    0.4611    1.1142    3.8384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5741    1.7916    2.9002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6235    1.0992    1.6106 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0760   -0.3025    1.8074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6914   -0.9286    3.1747 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4909   -0.3586    3.8154 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7778   -0.9348    3.3887 C   0  0  0  0  0  0  0  0  0  0  0  0
  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  1  1  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
    0.4611    1.1142    3.8384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5741    1.7916    2.9002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6235    1.0992    1.6106 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0760   -0.3025    1.8074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6914   -0.9286    3.1747 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4909   -0.3586    3.8154 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
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    0.2521    0.4552   -1.9678 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2767    0.4601   -0.7416 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2898    1.0428   -0.0079 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3648    1.7677   -0.6584 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
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.2521    0.4552   -1.9678 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2767    0.4601   -0.7416 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2898    1.0428   -0.0079 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -1.3732   -1.4394   -1.3233 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6865   -0.8788   -0.4814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0648    0.1326    0.3807 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    2.4823    1.1912   -1.0452 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8663    0.1376   -0.9853 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4989    0.0302   -0.9848 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4503   -1.1032   -0.9038 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
M  END
$$$$

     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -0.3245    1.9373   -2.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3387    1.2218   -0.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4989    0.0302   -0.9848 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8663    0.1376   -0.9853 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4823    1.1912   -1.0452 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4503   -1.1032   -0.9038 N   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  2  0
  4  6  1  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
    2.4823    1.1912   -1.0452 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8663    0.1376   -0.9853 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4503   -1.1032   -0.9038 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8924   -1.2550   -1.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4989    0.0302   -0.9848 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
  2  5  1  0
M  END
$$$$

     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -3.2844    2.6435    1.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0177    1.8129    1.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0364    2.1907    1.8703 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0009    0.6742    0.3805 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7818    0.1497   -0.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3937    0.8003   -0.0942 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
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -0.7044   -3.0671   -1.2385 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3219   -2.1461   -0.5229 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2541   -2.4047    0.7066 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3886   -1.4657    1.8230 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
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -0.7044   -3.0671   -1.2385 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3219   -2.1461   -0.5229 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2541   -2.4047    0.7066 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -0.0039    4.2719    0.0574 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6135    3.1995   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1162    1.8573    0.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9600    3.2127   -0.2293 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
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -0.0039    4.2719    0.0574 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6135    3.1995   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9600    3.2127   -0.2293 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  5  5  0  0  0  0  0  0  0  0999 V2000
   -1.0702    2.6631    1.2683 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0365    2.9103    0.4518 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0861    2.0808   -0.6208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1974    1.3852   -0.6204 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7518    1.7118    0.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  1  4  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
    1.1056    1.8846   -1.4889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0861    2.0808   -0.6208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1974    1.3852   -0.6204 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7518    1.7118    0.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0702    2.6631    1.2683 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0365    2.9103    0.4518 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  2  4  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -0.7474    2.1060    2.0444 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0914    1.3870    1.4948 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1362    2.0026    0.8728 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -0.7474    2.1060    2.0444 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0914    1.3870    1.4948 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0052   -0.1299    1.5231 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1362    2.0026    0.8728 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
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -0.7474    2.1060    2.0444 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0914    1.3870    1.4948 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0052   -0.1299    1.5231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3104   -0.6504    2.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1362    2.0026    0.8728 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
  2  5  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    1.8530   -2.3188    1.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -1.6953    0.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0265   -1.1656    0.5681 N   0  0  0  0  0  4  0  0  0  0  0  0
   -0.7989   -0.8021   -0.6563 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
M  CHG  1   3   1
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -4.2553   -3.0006   -0.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0917   -2.0231    0.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5487   -0.7323    1.2810 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -4.2553   -3.0006   -0.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0917   -2.0231    0.0532 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5487   -0.7323    1.2810 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8447   -2.7459    0.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8927   -3.8842    1.0392 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  2  4  1  0
  4  5  2  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
    2.0588   -0.8792    0.4397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8565   -2.1059    1.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5869   -2.6946    1.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5077   -2.0675    0.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3037   -0.8457   -0.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9697   -0.2581   -0.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  1  4  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -4.2553   -3.0006   -0.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0917   -2.0231    0.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8447   -2.7459    0.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8927   -3.8842    1.0392 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  3  4  2  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -1.2321    1.8861    2.5515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0416    0.7011    2.2783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708   -0.0714    1.6080 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    0.2346   -2.9169    0.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8005   -1.6215    0.9529 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1470   -0.4051    0.7696 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7052    0.6771    0.9758 O   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
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
    0.2346   -2.9169    0.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8005   -1.6215    0.9529 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1470   -0.4051    0.7696 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7052    0.6771    0.9758 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2968   -0.4555    0.3043 C   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
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -1.9738    1.6641    1.2742 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8423    0.9514    0.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2968   -0.4555    0.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  1
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
    2.2133   -1.6116    1.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8005   -1.6215    0.9529 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2346   -2.9169    0.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1470   -0.4051    0.7696 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7052    0.6771    0.9758 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
M  END
$$$$

     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
    2.2133   -1.6116    1.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8005   -1.6215    0.9529 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2346   -2.9169    0.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1470   -0.4051    0.7696 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7052    0.6771    0.9758 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2968   -0.4555    0.3043 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
M  END
$$$$

     RDKit          3D

  7  6  0  0  0  0  0  0  0  0999 V2000
    0.2346   -2.9169    0.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8005   -1.6215    0.9529 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1470   -0.4051    0.7696 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7052    0.6771    0.9758 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2968   -0.4555    0.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8423    0.9514    0.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9738    1.6641    1.2742 O   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  6
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.8758    0.0426    1.0413 N   0  0  0  0  0  4  0  0  0  0  0  0
    1.0573   -0.3116   -0.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3237    0.3805   -0.9495 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  6
M  CHG  1   1   1
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
    1.1029   -0.2294    1.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7393    0.8364    0.4654 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9182    1.8506   -0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4352    1.8615    0.0975 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0254    0.8171    0.7058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2880   -0.2378    1.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  1  4  0
M  END
$$$$

     RDKit          3D

  7  7  0  0  0  0  0  0  0  0999 V2000
    1.1029   -0.2294    1.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2880   -0.2378    1.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0254    0.8171    0.7058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4071    0.8858    0.8034 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4352    1.8615    0.0975 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9182    1.8506   -0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7393    0.8364    0.4654 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0
  2  3  4  0
  3  4  1  0
  3  5  4  0
  5  6  4  0
  6  7  4  0
  7  1  4  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.4879   -0.0472    0.1706 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8950   -0.1767   -0.9778 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1758    0.0642   -2.1390 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -2.3710    1.0111   -1.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8268    1.2944   -2.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9717    1.1580   -3.7260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6518    0.7463   -3.5338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1703    0.4704   -2.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0376    0.6000   -1.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  1  4  0
M  END
$$$$

     RDKit          3D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.9717    1.1580   -3.7260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8268    1.2944   -2.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3710    1.0111   -1.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2848    1.1467   -0.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0376    0.6000   -1.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1703    0.4704   -2.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6518    0.7463   -3.5338 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0
  2  3  4  0
  3  4  1  0
  3  5  4  0
  5  6  4  0
  6  7  4  0
  7  1  4  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    1.4879   -0.0472    0.1706 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8950   -0.1767   -0.9778 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3081   -0.6551   -1.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1758    0.0642   -2.1390 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
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -0.2717   -2.6582   -0.5913 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3822   -1.7691    0.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4382   -0.8846    0.2745 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
    0.8045    0.8209    1.4519 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3433   -0.2519    1.2154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6158   -1.5661    1.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7517   -2.5805    1.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7979   -1.9302    0.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6272   -0.5138    0.7138 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  1
  4  5  1  0
  5  6  1  0
  6  2  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.3472    3.7857    1.5544 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1136    2.3468    1.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0296    1.5530    2.2936 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    3.8116    0.6334    2.6482 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1578    0.1495    1.7264 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6347   -0.1925    0.4840 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -0.3256    2.0925    1.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7021    1.3245    0.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9127   -0.0875    0.6473 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750   -0.1971    1.9149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4241   -0.7247    0.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4224    0.0679    1.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5809    1.4078    1.1541 O   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
  6  5  1  6
  6  7  1  0
  7  1  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    3.8116    0.6334    2.6482 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1578    0.1495    1.7264 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750   -0.1971    1.9149 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6347   -0.1925    0.4840 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
M  END
$$$$

     RDKit          3D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -0.3256    2.0925    1.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7021    1.3245    0.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9127   -0.0875    0.6473 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750   -0.1971    1.9149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4241   -0.7247    0.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4224    0.0679    1.6480 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8016   -0.6099    1.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5809    1.4078    1.1541 O   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  6
  6  8  1  0
  8  1  1  0
M  END
$$$$

     RDKit          3D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -0.3256    2.0925    1.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7021    1.3245    0.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9127   -0.0875    0.6473 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4241   -0.7247    0.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4224    0.0679    1.6480 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8016   -0.6099    1.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5809    1.4078    1.1541 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  6
  5  7  1  0
  7  1  1  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -0.3256    2.0925    1.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7021    1.3245    0.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9127   -0.0875    0.6473 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4241   -0.7247    0.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4224    0.0679    1.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5809    1.4078    1.1541 O   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  1  1  0
M  END
$$$$

     RDKit          3D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -0.9410    4.8970   -0.4829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2404    4.8096    0.6977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2433    3.2231    1.3291 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2050    2.6339    0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5876    1.1669    0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9445    0.4447   -1.1887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4934    3.6424   -0.8706 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0
  2  3  4  0
  3  4  4  0
  4  5  1  0
  5  6  1  6
  4  7  4  0
  7  1  4  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.1817   -1.3919    0.5583 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9451   -0.7074   -0.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4877    0.2285   -1.0224 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    0.1817   -1.3919    0.5583 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9451   -0.7074   -0.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4877    0.2285   -1.0224 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9445    0.4447   -1.1887 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
$$$$

     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
    4.3379    1.5481   -2.3727 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4626    0.8224   -1.8954 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7571    0.1815   -0.7036 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8971   -0.6779    0.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8457    0.1022    0.9402 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5436    0.9243    1.8925 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  6
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -1.2336   -0.2791   -2.5303 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1217    0.2436   -2.8155 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3774    1.2156   -3.7028 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7389    1.4923   -3.4866 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1510    0.6513   -2.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126   -0.1877   -2.1135 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  2  4  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    4.3379    1.5481   -2.3727 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4626    0.8224   -1.8954 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7571    0.1815   -0.7036 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  8  8  0  0  0  0  0  0  0  0999 V2000
    4.3379    1.5481   -2.3727 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4626    0.8224   -1.8954 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7571    0.1815   -0.7036 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1510    0.6513   -2.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126   -0.1877   -2.1135 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1217    0.2436   -2.8155 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3774    1.2156   -3.7028 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7389    1.4923   -3.4866 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  4  0
  5  6  4  0
  6  7  4  0
  7  8  4  0
  8  4  4  0
M  END
$$$$

     RDKit          3D

  5  5  0  0  0  0  0  0  0  0999 V2000
    0.3774    1.2156   -3.7028 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7389    1.4923   -3.4866 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1510    0.6513   -2.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126   -0.1877   -2.1135 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1217    0.2436   -2.8155 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  1  4  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    2.5436    0.9243    1.8925 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8457    0.1022    0.9402 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8971   -0.6779    0.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  1
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    4.3379    1.5481   -2.3727 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4626    0.8224   -1.8954 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7571    0.1815   -0.7036 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8971   -0.6779    0.1195 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
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.8991   -1.9955    0.5444 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6210   -1.0455    0.8536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6269   -0.4126    2.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    0.8991   -1.9955    0.5444 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6210   -1.0455    0.8536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6269   -0.4126    2.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -0.7670    3.1496 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
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -0.7207   -1.3615   -1.6617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8524   -0.8945   -0.2830 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4117   -1.6488    0.8044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7175   -1.3810    1.9633 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4939   -2.6360    0.4962 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
M  END
$$$$

     RDKit          3D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -0.7207   -1.3615   -1.6617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8524   -0.8945   -0.2830 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4117   -1.6488    0.8044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7175   -1.3810    1.9633 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4939   -2.6360    0.4962 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0447   -3.5034    1.5321 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0029   -2.7938    2.4982 C   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
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    2.0029   -2.7938    2.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0447   -3.5034    1.5321 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2384   -2.1973    1.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  3  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    3.2384   -2.1973    1.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0029   -2.7938    2.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5694   -0.7769    2.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  3  1  0
M  END
$$$$

     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -0.7207   -1.3615   -1.6617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8524   -0.8945   -0.2830 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4117   -1.6488    0.8044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7175   -1.3810    1.9633 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4939   -2.6360    0.4962 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0447   -3.5034    1.5321 C   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
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    2.0029   -2.7938    2.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2384   -2.1973    1.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5694   -0.7769    2.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0447   -3.5034    1.5321 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  1  4  1  0
M  END
$$$$

     RDKit          3D

  7  7  0  0  0  0  0  0  0  0999 V2000
    4.6456   -2.7867    2.6721 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2905   -2.4832    1.6547 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4450   -3.5328    1.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3323   -3.2938    0.4917 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0727   -2.0056    0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9712   -0.9567    0.3265 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0588   -1.1955    1.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  7  4  0
  7  2  4  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    2.3776    1.6981    1.4611 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0684    1.5364    0.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7837    0.3059   -0.2770 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -1.2985   -3.6553   -0.7687 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2549   -2.4303   -0.8261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1339   -1.6480   -0.6327 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$

     RDKit          3D

  7  7  0  0  0  0  0  0  0  0999 V2000
    1.8358    0.9531   -0.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6595    0.1688   -1.3616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5602    0.2269   -0.4431 N   0  0  0  0  0  4  0  0  0  0  0  0
   -0.1855   -0.2770    0.9452 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0183    0.5151    1.4972 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1846    0.4632    0.6000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3211    1.2195    1.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
  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  1  1  0
M  CHG  1   3   1
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
    1.8358    0.9531   -0.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6595    0.1688   -1.3616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5602    0.2269   -0.4431 N   0  0  0  0  0  4  0  0  0  0  0  0
   -0.1855   -0.2770    0.9452 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0183    0.5151    1.4972 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1846    0.4632    0.6000 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  CHG  1   3   1
M  END
$$$$

     RDKit          3D

  7  7  0  0  0  0  0  0  0  0999 V2000
    1.8358    0.9531   -0.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6595    0.1688   -1.3616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5602    0.2269   -0.4431 N   0  0  0  0  0  4  0  0  0  0  0  0
   -1.7287   -0.5054   -1.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1855   -0.2770    0.9452 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0183    0.5151    1.4972 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1846    0.4632    0.6000 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  1  1  0
M  CHG  1   3   1
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    0.8883   -2.4782    0.5952 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6776   -1.7219   -0.3555 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1976   -2.3566   -1.5412 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9488   -1.0863    0.5303 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
M  END
$$$$

     RDKit          3D

  7  7  0  0  0  0  0  0  0  0999 V2000
    1.8634   -0.0300   -3.2825 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8108    0.3923   -1.9844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0066    1.5134   -2.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8894    1.9724   -1.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9571    1.3038   -0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1479    0.1918    0.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7409   -0.2682   -0.7548 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  7  4  0
  7  2  4  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -2.8000    3.0038    0.7601 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0675    1.8618    1.2574 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3130    1.9086    2.4890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1191    0.5711    1.3815 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
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.7791   -2.1347   -1.5447 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4469   -0.8246   -0.8852 N   0  0  0  0  0  4  0  0  0  0  0  0
    1.4956    0.2567   -1.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
M  CHG  1   2   1
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -0.9739   -0.3702   -1.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4469   -0.8246   -0.8852 N   0  0  0  0  0  4  0  0  0  0  0  0
    0.7791   -2.1347   -1.5447 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4956    0.2567   -1.1516 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
M  CHG  1   2   1
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
    2.1440   -3.3391   -1.0544 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9765   -3.0248   -0.8767 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3108   -3.1316    0.3214 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0583   -3.4419    1.5326 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1470   -2.5000   -1.8340 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
  2  5  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    2.1440   -3.3391   -1.0544 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9765   -3.0248   -0.8767 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1470   -2.5000   -1.8340 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3108   -3.1316    0.3214 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
M  END
$$$$
