
     RDKit          3D

  5  5  0  0  0  0  0  0  0  0999 V2000
    0.1515   -0.9066    3.9207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4510    0.6528    3.5543 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1879    0.0513    2.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0060   -1.2406    1.9257 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2012   -1.7865    2.9222 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  5  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
    0.2111   -3.2219    2.7901 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
  4  5  1  0
  2  6  1  0
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
    0.1470   -2.5000   -1.8340 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6313   -1.9651   -3.0844 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  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
    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
    0.6313   -1.9651   -3.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2582   -0.4866   -3.2492 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
  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

  7  6  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
    0.2111   -3.2219    2.7901 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
    0.6313   -1.9651   -3.0844 C   0  0  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

  8  7  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
    0.6313   -1.9651   -3.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2582   -0.4866   -3.2492 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
    0.2111   -3.2219    2.7901 C   0  0  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
  7  8  1  0
M  END
$$$$

     RDKit          3D

  6  5  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
    0.6313   -1.9651   -3.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2582   -0.4866   -3.2492 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  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  2  6  1  0
M  END
$$$$

     RDKit          3D

  6  5  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
    0.6313   -1.9651   -3.0844 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
  1  2  2  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.1645   -0.6157   -0.9295 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3046   -0.2262   -0.6937 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7787    0.2498    0.5245 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
   -1.0231   -0.1074    2.9229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6798    0.8481    3.8808 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5451    1.5085    3.7775 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3822    1.2667    2.6828 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0110    0.3388    1.7061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1381   -0.4208    1.8958 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
   -0.3881    1.1959   -0.7797 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5416    0.0120   -0.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6488   -0.6333   -0.0032 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6403   -0.9680   -0.7116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5801   -2.0927   -0.2332 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6891   -0.4338   -1.4160 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
    0.0285    1.9235    2.5026 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8143    1.4887    1.6587 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1669    1.6641    1.8440 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1034    1.2111    0.9656 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3352    1.3862    1.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.4685   -2.2882    0.1103 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1414   -1.3832   -0.6484 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2762   -0.8741   -0.7806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0272   -0.7238   -1.4745 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
   -1.4685   -2.2882    0.1103 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1414   -1.3832   -0.6484 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2762   -0.8741   -0.7806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0272   -0.7238   -1.4745 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4580   -0.9603   -1.3917 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
   -1.4685   -2.2882    0.1103 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1414   -1.3832   -0.6484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0272   -0.7238   -1.4745 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
   -1.4685   -2.2882    0.1103 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1414   -1.3832   -0.6484 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2762   -0.8741   -0.7806 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2018   -1.5663    0.2124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0272   -0.7238   -1.4745 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
   -1.4685   -2.2882    0.1103 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1414   -1.3832   -0.6484 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2762   -0.8741   -0.7806 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2018   -1.5663    0.2124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0272   -0.7238   -1.4745 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4580   -0.9603   -1.3917 C   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
   -1.4685   -2.2882    0.1103 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1414   -1.3832   -0.6484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0272   -0.7238   -1.4745 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4580   -0.9603   -1.3917 C   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
    0.2559   -1.8146   -1.5888 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4149   -1.0569   -0.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5944   -0.2816   -0.0954 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
   -2.9839   -2.0141    0.7102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7315   -1.4527   -0.6843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8955   -0.1550   -0.7324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5944   -0.2816   -0.0954 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4149   -1.0569   -0.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2559   -1.8146   -1.5888 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  2  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -0.3599    2.0272   -1.2176 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6938    1.7422   -0.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1251    1.9796    0.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1146    1.1782    0.9008 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
   -0.3599    2.0272   -1.2176 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6938    1.7422   -0.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1146    1.1782    0.9008 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
    2.3126   -1.0816    3.1057 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9854   -0.7463    1.9730 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5426   -1.6288    0.9902 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3541   -3.0287    1.3554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1251   -3.2989    1.6339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0046   -2.8474    0.4612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7015   -1.3935    0.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7939   -1.2209   -0.2038 C   0  0  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

 10 10  0  0  0  0  0  0  0  0999 V2000
   -1.3967   -1.6526   -2.2339 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4795   -1.0204   -1.1883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7015   -1.3935    0.0599 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0046   -2.8474    0.4612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1251   -3.2989    1.6339 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3541   -3.0287    1.3554 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5426   -1.6288    0.9902 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9854   -0.7463    1.9730 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3126   -1.0816    3.1057 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7939   -1.2209   -0.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  7 10  1  0
 10  3  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    4.1032   -1.4993   -1.8135 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4930   -0.4821   -1.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7596    0.1929   -0.2793 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
    0.0683   -0.7755    1.5036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6723   -1.7108    0.6624 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8938   -1.4084    0.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5246   -0.1839    0.2883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9206    0.7326    1.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6980    0.4405    1.7730 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
    1.3650    0.8906    1.1415 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4779   -0.3160    0.9572 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6608   -0.9914    0.6986 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
   -3.2112   -1.7708   -1.9405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1028   -0.8784   -1.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8849   -0.3260   -0.7121 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625    0.3784    0.5506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9913   -0.5605    1.5579 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2643   -1.2550    0.9914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0102   -1.8573   -0.3994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6684   -0.8386   -1.3284 C   0  0  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

  8  8  0  0  0  0  0  0  0  0999 V2000
    0.5734    0.1815    3.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4356   -0.1311    2.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6171    0.7578    1.3668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4638    2.1505    1.3087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4459    2.9469    0.7195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5947    2.3656    0.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7634    0.9823    0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7744    0.1884    0.8108 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  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

  6  6  0  0  0  0  0  0  0  0999 V2000
   -0.6171    0.7578    1.3668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4638    2.1505    1.3087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4459    2.9469    0.7195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5947    2.3656    0.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7634    0.9823    0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7744    0.1884    0.8108 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
    2.6609   -1.8460    2.2589 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7028   -0.9068    1.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7027    0.0145    1.3028 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7691   -0.6358    0.6595 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
    0.5734    0.1815    3.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4356   -0.1311    2.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7027    0.0145    1.3028 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7028   -0.9068    1.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6609   -1.8460    2.2589 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7691   -0.6358    0.6595 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
    2.6609   -1.8460    2.2589 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7028   -0.9068    1.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7691   -0.6358    0.6595 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688   -1.4317    0.7845 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7027    0.0145    1.3028 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  7  0  0  0  0  0  0  0  0999 V2000
   -0.6171    0.7578    1.3668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7744    0.1884    0.8108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7634    0.9823    0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8319    0.2856   -0.2756 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5947    2.3656    0.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4459    2.9469    0.7195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4638    2.1505    1.3087 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

  5  5  0  0  0  0  0  0  0  0999 V2000
    1.3800   -1.2480    2.9298 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2596   -0.4879    2.8172 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0565   -0.3598    1.4647 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9783   -0.9689    0.7348 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8206   -1.5549    1.6646 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
    1.3800   -1.2480    2.9298 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2596   -0.4879    2.8172 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0565   -0.3598    1.4647 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9783   -0.9689    0.7348 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8206   -1.5549    1.6646 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9918   -2.3745    1.2566 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  1  4  0
M  END
$$$$

     RDKit          3D

  5  5  0  0  0  0  0  0  0  0999 V2000
   -0.3875   -2.2422    0.9309 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9100   -2.7828    1.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5939   -2.7511   -0.0585 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7469   -2.1614   -0.9796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4370   -1.8368   -0.3831 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
    0.5054   -1.5669    4.3174 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5628   -1.2450    3.7758 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2368   -2.0868    2.9191 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5652   -3.2418    2.3499 C   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
    5.1482    0.4177    2.1168 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9978    0.5378    2.5163 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6134    0.3004    3.9620 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1026    0.1746    3.9191 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6991    0.9804    2.7004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8310    0.8715    1.8074 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
    0.5054   -1.5669    4.3174 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5628   -1.2450    3.7758 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2368   -2.0868    2.9191 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
   -0.3875   -2.2422    0.9309 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9100   -2.7828    1.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5652   -3.2418    2.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5939   -2.7511   -0.0585 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7469   -2.1614   -0.9796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4370   -1.8368   -0.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0
  2  3  1  0
  2  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
    0.5054   -1.5669    4.3174 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5628   -1.2450    3.7758 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2368   -2.0868    2.9191 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5652   -3.2418    2.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9100   -2.7828    1.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875   -2.2422    0.9309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4370   -1.8368   -0.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7469   -2.1614   -0.9796 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5939   -2.7511   -0.0585 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  4  0
  6  7  4  0
  7  8  4  0
  8  9  4  0
  9  5  4  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -0.5463   -2.2254    0.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4387   -1.3524    1.1752 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0999   -0.8144    2.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5676   -0.9765    0.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8706   -1.5324   -0.6105 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

  7  7  0  0  0  0  0  0  0  0999 V2000
   -3.3950   -2.7379    2.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0738   -1.7218    0.9709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0184   -0.8734    0.5583 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4174   -0.1193   -0.3712 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1037   -0.4610   -0.5759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2308    0.2123   -1.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8336   -1.4926    0.3134 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  1  0
  5  7  4  0
  7  2  4  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    0.0999   -0.8144    2.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4387   -1.3524    1.1752 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5676   -0.9765    0.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8706   -1.5324   -0.6105 O   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
    0.0999   -0.8144    2.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4387   -1.3524    1.1752 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5676   -0.9765    0.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8706   -1.5324   -0.6105 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4470    0.1380    1.0475 C   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

  6  5  0  0  0  0  0  0  0  0999 V2000
   -0.5463   -2.2254    0.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4387   -1.3524    1.1752 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0999   -0.8144    2.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5676   -0.9765    0.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8706   -1.5324   -0.6105 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4470    0.1380    1.0475 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

  5  5  0  0  0  0  0  0  0  0999 V2000
    5.3388    1.6062   -0.7077 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2331    1.2246   -1.4671 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3853   -0.1055   -1.7289 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4834   -0.6156   -1.2180 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0427    0.4703   -0.5871 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  5  0  0  0  0  0  0  0  0999 V2000
    2.2317   -2.3987   -0.8811 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7286   -2.5799   -0.0820 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1592   -1.1691   -0.8428 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0072   -0.5695   -1.6473 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2097   -1.2666   -1.6761 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
    2.2317   -2.3987   -0.8811 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7286   -2.5799   -0.0820 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1592   -1.1691   -0.8428 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0072   -0.5695   -1.6473 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2097   -1.2666   -1.6761 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3252   -0.7569   -2.5327 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  1  4  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -2.1074   -2.2891    0.6782 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1017   -1.1970    0.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0909   -0.6474   -0.6294 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

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.1074   -2.2891    0.6782 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1017   -1.1970    0.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0909   -0.6474   -0.6294 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1592   -1.1691   -0.8428 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0072   -0.5695   -1.6473 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2097   -1.2666   -1.6761 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3252   -0.7569   -2.5327 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2317   -2.3987   -0.8811 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7286   -2.5799   -0.0820 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  1  0
  6  8  4  0
  8  9  4  0
  9  4  4  0
M  END
$$$$

     RDKit          3D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.1074   -2.2891    0.6782 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1017   -1.1970    0.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0909   -0.6474   -0.6294 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1592   -1.1691   -0.8428 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0072   -0.5695   -1.6473 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2097   -1.2666   -1.6761 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2317   -2.3987   -0.8811 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7286   -2.5799   -0.0820 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

  5  4  0  0  0  0  0  0  0  0999 V2000
    1.1828   -4.0591    1.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4187   -3.1836    0.4539 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2623   -2.0090    0.7119 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5128   -3.2579   -0.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4192   -4.0662   -0.6003 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
    1.1828   -4.0591    1.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4187   -3.1836    0.4539 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5128   -3.2579   -0.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4192   -4.0662   -0.6003 O   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
    1.1828   -4.0591    1.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4187   -3.1836    0.4539 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5128   -3.2579   -0.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4192   -4.0662   -0.6003 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7234   -2.3588   -1.8103 C   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

  6  5  0  0  0  0  0  0  0  0999 V2000
    1.1828   -4.0591    1.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4187   -3.1836    0.4539 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5128   -3.2579   -0.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4192   -4.0662   -0.6003 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7234   -2.3588   -1.8103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6098   -1.8996   -2.4050 C   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

  6  5  0  0  0  0  0  0  0  0999 V2000
    1.1828   -4.0591    1.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4187   -3.1836    0.4539 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2623   -2.0090    0.7119 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5128   -3.2579   -0.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4192   -4.0662   -0.6003 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7234   -2.3588   -1.8103 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

  5  5  0  0  0  0  0  0  0  0999 V2000
    1.2797    1.9723    2.0951 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0658    1.6514    1.9058 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3542    1.8893    0.5866 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6893    2.3396   -0.0830 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6775    2.3500    0.8726 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
    3.0598    2.8085    0.5877 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6775    2.3500    0.8726 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2797    1.9723    2.0951 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0658    1.6514    1.9058 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3542    1.8893    0.5866 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6893    2.3396   -0.0830 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  5  0  0  0  0  0  0  0  0999 V2000
   -2.0547    1.8750   -1.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4225    1.5189   -1.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7886    1.1211   -0.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7217    1.2161    0.7370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6489    1.6763    0.0139 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

  7  6  0  0  0  0  0  0  0  0999 V2000
    0.6148   -0.9043   -1.3758 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7520   -0.6030   -1.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435    0.6409   -0.5935 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2653    1.7845   -0.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8815   -1.6542   -1.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9724   -1.3403   -0.6005 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4704   -2.8481   -1.5986 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
    0.6148   -0.9043   -1.3758 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7520   -0.6030   -1.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435    0.6409   -0.5935 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8815   -1.6542   -1.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9724   -1.3403   -0.6005 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4704   -2.8481   -1.5986 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

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.9065    1.2421    0.6383 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8632    0.8716   -0.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8110    0.0602   -1.1519 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6786   -0.6059   -1.6622 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7782   -1.1725   -2.9377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3106   -1.8377   -3.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5084   -1.9440   -2.8029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6183   -1.3890   -1.5221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5138   -0.7415   -0.9492 C   0  0  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

  6  6  0  0  0  0  0  0  0  0999 V2000
   -1.6183   -1.3890   -1.5221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5084   -1.9440   -2.8029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3106   -1.8377   -3.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7782   -1.1725   -2.9377 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6786   -0.6059   -1.6622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5138   -0.7415   -0.9492 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
   -3.6304   -2.4883   -1.0616 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9113   -1.5344   -0.7889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1845   -0.5332    0.1270 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
    0.9065    1.2421    0.6383 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8632    0.8716   -0.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8110    0.0602   -1.1519 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
    2.4565   -3.0068   -0.9096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6479   -1.7598   -1.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6789   -1.0801    0.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0937   -1.4010    0.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4764   -2.6374    0.0271 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  6
  5  1  1  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
    2.4565   -3.0068   -0.9096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6479   -1.7598   -1.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6789   -1.0801    0.1723 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2814    0.3930    0.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0937   -1.4010    0.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4764   -2.6374    0.0271 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  6
  3  5  1  0
  5  6  1  6
  6  1  1  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -0.9205   -0.1385    1.7634 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1265    0.3121    0.6448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1063    0.5835   -0.2479 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2814    0.3930    0.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3479    0.5941    0.0843 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
   -0.9205   -0.1385    1.7634 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1265    0.3121    0.6448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3479    0.5941    0.0843 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1063    0.5835   -0.2479 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  6  0  0  0  0  0  0  0  0999 V2000
   -1.1740   -0.5981    0.4436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9966   -1.1073    1.4550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3902   -1.0077    1.3559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9851   -0.4061    0.2376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1488    0.0879   -0.7773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7559   -0.0107   -0.6837 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
    0.7364   -1.7121    1.1874 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -0.7320    0.5928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0422    0.3111    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
    1.5323   -3.9137   -2.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6850   -4.0199   -1.5793 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5586   -3.0786   -0.5916 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7233   -2.8805    0.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4071   -2.4296   -0.6083 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7536   -2.9299   -1.7242 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  1  4  0
M  END
$$$$

     RDKit          3D

  7  7  0  0  0  0  0  0  0  0999 V2000
    1.5323   -3.9137   -2.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6850   -4.0199   -1.5793 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5586   -3.0786   -0.5916 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7233   -2.8805    0.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5245   -1.8024   -0.2073 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4071   -2.4296   -0.6083 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7536   -2.9299   -1.7242 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
  4  5  1  0
  3  6  4  0
  6  7  4  0
  7  1  4  0
M  END
$$$$

     RDKit          3D

  5  5  0  0  0  0  0  0  0  0999 V2000
    1.5323   -3.9137   -2.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6850   -4.0199   -1.5793 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5586   -3.0786   -0.5916 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4071   -2.4296   -0.6083 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7536   -2.9299   -1.7242 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
   -1.0229   -2.8567   -3.2727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5311   -2.4540   -2.2238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1643   -1.4896   -1.4677 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0395   -1.1332   -0.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4551   -0.5176   -0.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5108   -0.9864   -1.6328 C   0  0  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  3  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.5868    0.7562    1.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7274    0.5536    2.7461 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3116   -0.4465    1.2269 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

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.7274    0.5536    2.7461 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5868    0.7562    1.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6512   -0.6158    2.4811 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

  4  3  0  0  0  0  0  0  0  0999 V2000
    1.5868    0.7562    1.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7274    0.5536    2.7461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6512   -0.6158    2.4811 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3116   -0.4465    1.2269 O   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
    1.1607   -2.3086   -0.3639 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5391   -1.2054   -1.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6249   -0.3183   -1.6750 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
   -0.1968    0.0955    3.3164 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5503    0.3316    2.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2405   -0.4956    1.1065 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
   -0.1968    0.0955    3.3164 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5503    0.3316    2.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3001    1.5912    1.7958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2405   -0.4956    1.1065 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  6  0  0  0  0  0  0  0  0999 V2000
    2.2790   -2.8441   -1.8540 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6187   -1.8326   -0.9239 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6236   -2.5336    0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6308   -1.6564    1.2646 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1203   -1.2725    1.3795 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5941   -1.2038   -0.0177 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
  4  3  1  1
  4  5  1  0
  5  6  1  0
  6  2  1  0
M  END
$$$$

     RDKit          3D

  8  8  0  0  0  0  0  0  0  0999 V2000
    1.1490    1.6496    0.3381 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7874    0.6424    0.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1401   -0.5108    1.4161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1463   -0.0606    2.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3389    0.0966    1.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5206   -1.1414    0.4026 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3415   -1.4836   -0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8595   -1.7141    0.5097 C   0  0  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

  6  6  0  0  0  0  0  0  0  0999 V2000
   -0.1463   -0.0606    2.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3389    0.0966    1.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5206   -1.1414    0.4026 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3415   -1.4836   -0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8595   -1.7141    0.5097 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1401   -0.5108    1.4161 C   0  0  0  0  0  0  0  0  0  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
    3.9921   -2.8336    1.5732 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4761   -2.5205    0.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8795   -1.5534   -0.3821 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
    2.8807    1.4742   -1.5696 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4980    1.6355   -1.8753 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7136    1.6508   -0.7401 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6638    1.5591    0.6829 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1102    1.3718   -0.2123 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  5  0  0  0  0  0  0  0  0999 V2000
   -1.6352   -0.1636   -0.0289 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2800    0.8562    0.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0289    1.8362    1.1592 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2329    1.1574    0.6304 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241    2.1556    1.2198 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0182    0.2289   -0.0065 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

  3  2  0  0  0  0  0  0  0  0999 V2000
   -1.2002   -2.2068   -2.0055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0349   -1.6152   -0.9414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0707   -1.3632   -0.0772 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
   -4.2895   -1.7229    0.8894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4549   -1.6990   -0.3897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0646   -0.7916   -1.4784 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
   -4.2895   -1.7229    0.8894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4549   -1.6990   -0.3897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0707   -1.3632   -0.0772 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0349   -1.6152   -0.9414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2002   -2.2068   -2.0055 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
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
    1.2768   -1.8147   -2.8852 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736   -0.5148   -2.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8772   -0.4287   -0.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    0.8197    0.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2803    1.9958   -0.7542 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  6
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -0.9221    1.3971    1.5282 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6987    0.2631    1.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5672   -0.5490    0.4268 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
    1.1778    1.4872   -0.7475 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7547    1.0186    0.3063 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7989   -0.3253    0.5904 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
    0.1248    1.8786    1.3843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3691    2.1176    1.1011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8990    3.2662    1.9666 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
    1.1778    1.4872   -0.7475 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7547    1.0186    0.3063 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1248    1.8786    1.3843 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7989   -0.3253    0.5904 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
   -1.8990    3.2662    1.9666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3691    2.1176    1.1011 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1248    1.8786    1.3843 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7547    1.0186    0.3063 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1778    1.4872   -0.7475 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7989   -0.3253    0.5904 N   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
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    1.1778    1.4872   -0.7475 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7547    1.0186    0.3063 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7989   -0.3253    0.5904 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0675   -1.3199   -0.4420 C   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
    1.1778    1.4872   -0.7475 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7547    1.0186    0.3063 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1248    1.8786    1.3843 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7989   -0.3253    0.5904 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0675   -1.3199   -0.4420 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

  6  6  0  0  0  0  0  0  0  0999 V2000
    1.9532    0.1696    0.9036 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0788    0.6492    1.8859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2994    0.4253    1.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8344   -0.2774    0.7055 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0355   -0.7475   -0.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4201   -0.5273   -0.1794 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
   -2.5941   -1.5167   -1.3254 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0155   -1.0665   -0.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2275   -0.4734    0.7013 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
   -3.0409   -0.0593   -2.7888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7642    0.0603   -1.5982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4744    0.2486   -1.1166 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4006    0.4414   -2.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6988    1.3492   -1.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1492    1.0152   -0.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4162   -0.2426    0.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0925   -0.0851    0.2544 C   0  0  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

  5  4  0  0  0  0  0  0  0  0999 V2000
    1.7734   -1.9068    1.0541 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5355   -0.8014    0.5874 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3246   -0.1724    0.6562 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8270   -0.8680    1.2124 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4659   -0.0255   -0.0469 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
    1.7734   -1.9068    1.0541 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5355   -0.8014    0.5874 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4659   -0.0255   -0.0469 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3246   -0.1724    0.6562 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
   -3.0213   -0.9287    3.3469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3348   -0.6321    1.8710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8917   -1.8999    1.2229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1060    0.0148    1.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8270   -0.8680    1.2124 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  1
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    0.4949    0.8337    1.1356 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1090   -0.2324    1.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5762   -0.2678    1.5252 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5658   -1.4808    0.8855 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  6  0  0  0  0  0  0  0  0999 V2000
   -0.7779   -1.7674    0.5718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0760   -3.0448    0.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3865   -3.3875   -0.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4137   -2.4549   -0.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1164   -1.1851    0.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8141   -0.8482    0.7312 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
    0.4949    0.8337    1.1356 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1090   -0.2324    1.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5658   -1.4808    0.8855 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
    0.1026    1.4424   -2.2382 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1194    0.9094   -1.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9852    0.5268   -0.4254 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2699    0.5780   -0.4763 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

  7  6  0  0  0  0  0  0  0  0999 V2000
    0.1026    1.4424   -2.2382 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1194    0.9094   -1.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2699    0.5780   -0.4763 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5962    0.7698   -1.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8391   -0.2303   -2.2389 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1846    0.1575   -3.4478 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9852    0.5268   -0.4254 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  6
  5  6  1  0
  2  7  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    2.1846    0.1575   -3.4478 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8391   -0.2303   -2.2389 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5962    0.7698   -1.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7067    0.6958   -0.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  6
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
    0.4835   -1.1790   -2.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9185   -0.9318   -1.7343 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9810    0.2674   -0.7799 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9619    0.0970    0.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4139   -0.0897   -0.1533 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4681   -1.3010   -0.9981 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
M  END
$$$$

     RDKit          3D

  7  7  0  0  0  0  0  0  0  0999 V2000
    0.4835   -1.1790   -2.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9185   -0.9318   -1.7343 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9810    0.2674   -0.7799 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9619    0.0970    0.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4139   -0.0897   -0.1533 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3544   -0.2125    0.9881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4681   -1.3010   -0.9981 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  1  1  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -0.5415   -1.3019    0.6614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0698   -2.7437    0.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2269   -2.9273   -0.3369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3251   -1.8834   -0.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7396   -0.5266   -0.1730 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7118   -0.3136    0.8785 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  3  2  1  6
  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
    1.5414    0.4421   -2.0522 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4357    0.0149   -0.6737 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.9568    0.4070 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7834   -1.1133   -0.2898 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1159   -1.0412   -0.6500 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
  2  5  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    1.5414    0.4421   -2.0522 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4357    0.0149   -0.6737 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.9568    0.4070 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1159   -1.0412   -0.6500 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
   -3.5428   -0.6379    2.3943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2182   -0.9454    0.9254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8389   -0.3892    0.5158 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
    1.2298    0.8919   -2.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4686    0.3164   -1.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8200   -1.1664   -1.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6135   -1.9710   -2.1483 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
  3  4  2  0
M  END
$$$$

     RDKit          3D

  7  6  0  0  0  0  0  0  0  0999 V2000
    1.2298    0.8919   -2.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4686    0.3164   -1.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8200   -1.1664   -1.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6135   -1.9710   -2.1483 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2578   -1.5986    0.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5497   -3.0429    0.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7907   -4.1778    0.2653 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
  5  6  1  1
  6  7  3  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
    1.7907   -4.1778    0.2653 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5497   -3.0429    0.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2578   -1.5986    0.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8200   -1.1664   -1.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6135   -1.9710   -2.1483 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  3  2  1  1
  3  4  1  0
  4  5  2  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    3.6114   -1.7477   -0.9056 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1446   -0.3673   -0.9435 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9015    0.0502   -0.4744 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6321    1.2446   -0.3328 O   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
    3.6114   -1.7477   -0.9056 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1446   -0.3673   -0.9435 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1756    0.6569   -1.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9015    0.0502   -0.4744 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6321    1.2446   -0.3328 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
    1.0150    3.3665    0.6394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1094    2.4577    0.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2814    2.6495   -1.3807 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0857    0.9880    0.6003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1354    0.1733    0.2197 N   0  0  0  0  0  4  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  1
M  CHG  1   5   1
M  END
$$$$

     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
    1.0150    3.3665    0.6394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1094    2.4577    0.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2814    2.6495   -1.3807 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0857    0.9880    0.6003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1354    0.1733    0.2197 N   0  0  0  0  0  4  0  0  0  0  0  0
   -1.2432   -1.1546    0.8903 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  1
  5  6  1  0
M  CHG  1   5   1
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.3772   -0.4067    2.0421 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8337   -0.4214    0.9062 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1251   -0.7654   -0.2242 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
   -3.2257   -0.0873    3.5211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5079   -0.7448    2.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1307   -0.1291    2.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4356   -0.9707    1.0747 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9317   -1.0237    1.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6784   -0.5013    1.8276 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3571   -1.7716   -0.0582 N   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  2  0
  5  7  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -3.2257   -0.0873    3.5211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5079   -0.7448    2.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1307   -0.1291    2.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1686    1.3536    1.6004 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  6
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    1.6784   -0.5013    1.8276 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9317   -1.0237    1.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4356   -0.9707    1.0747 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3571   -1.7716   -0.0582 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
    3.5555   -2.6246    0.7202 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7740   -1.9271   -0.3952 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3571   -1.7716   -0.0582 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9317   -1.0237    1.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6784   -0.5013    1.8276 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4356   -0.9707    1.0747 N   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
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    3.5555   -2.6246    0.7202 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7740   -1.9271   -0.3952 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4480   -0.6056   -0.8050 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
    3.3222   -2.6272    0.7721 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1203   -1.4686    0.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7490   -0.9094    0.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6445   -1.9065    0.4596 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1287   -0.5465    0.2572 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
    3.3222   -2.6272    0.7721 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1203   -1.4686    0.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7490   -0.9094    0.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6445   -1.9065    0.4596 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1287   -0.5465    0.2572 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4899   -0.8782    0.6053 C   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
    3.3222   -2.6272    0.7721 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1203   -1.4686    0.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7490   -0.9094    0.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1287   -0.5465    0.2572 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
    3.3222   -2.6272    0.7721 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1203   -1.4686    0.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7490   -0.9094    0.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1287   -0.5465    0.2572 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4899   -0.8782    0.6053 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
    3.3222   -2.6272    0.7721 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1203   -1.4686    0.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1287   -0.5465    0.2572 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4899   -0.8782    0.6053 C   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
    3.3222   -2.6272    0.7721 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1203   -1.4686    0.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1287   -0.5465    0.2572 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
   -3.3262   -1.8993   -1.4747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8346   -1.7622   -1.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.0911    0.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9778   -1.8689    1.3581 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1506   -0.9794    0.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3930    0.0322    1.2396 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  1
  3  5  1  0
  5  6  1  1
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    2.2241   -2.4770   -0.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9073   -2.2617    0.6072 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4335   -1.6228    0.2457 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
    0.3930    0.0322    1.2396 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1506   -0.9794    0.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9073   -2.2617    0.6072 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2241   -2.4770   -0.1520 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
    0.3930    0.0322    1.2396 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1506   -0.9794    0.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9073   -2.2617    0.6072 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
    0.3930    0.0322    1.2396 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1506   -0.9794    0.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9073   -2.2617    0.6072 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2241   -2.4770   -0.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4335   -1.6228    0.2457 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
  4  5  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    0.2875    2.8251    0.1150 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7436    1.7531    0.5023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0339    0.8047    1.1304 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4479    0.9942    1.3714 C   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
    0.2875    2.8251    0.1150 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7436    1.7531    0.5023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0339    0.8047    1.1304 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
   -0.2457    0.3873   -0.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0519   -0.2286   -0.0667 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5160   -1.3188   -0.7449 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7754   -1.9276   -1.5174 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8084   -1.6984   -0.4651 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4140   -2.7679   -1.2455 C   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

  5  4  0  0  0  0  0  0  0  0999 V2000
   -2.3431   -2.8317   -0.4513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7014   -1.6065   -1.0175 N   0  0  0  0  0  4  0  0  0  0  0  0
   -2.3158   -1.2035   -2.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4944   -0.4895    0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2457    0.3873   -0.3450 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  1
M  CHG  1   2   1
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
    3.4140   -2.7679   -1.2455 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8084   -1.6984   -0.4651 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5160   -1.3188   -0.7449 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7754   -1.9276   -1.5174 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0519   -0.2286   -0.0667 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

  6  6  0  0  0  0  0  0  0  0999 V2000
   -1.8703    1.1974   -1.9619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3948    2.2111   -2.7686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6914    2.6716   -2.5544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4737    2.1262   -1.5294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9850    1.1030   -0.7065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6756    0.6402   -0.9591 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
    0.0360    0.9867   -3.3039 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4653    0.7465   -2.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1600    0.1259   -1.1516 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
    1.2090   -0.5382   -2.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3543    0.7185   -2.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0780    0.5337   -2.0838 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5713   -0.8380   -2.3966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7119   -1.9416   -1.7072 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5245   -1.3863   -1.1340 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
    0.7830    1.7475   -0.8543 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4550    0.5808   -0.7015 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2613   -0.4858   -1.0058 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7502    0.1481   -0.2123 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

  7  6  0  0  0  0  0  0  0  0999 V2000
   -2.3139    1.9131   -1.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8777    1.0321    0.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4104    1.9910    1.2643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7502    0.1481   -0.2123 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4550    0.5808   -0.7015 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7830    1.7475   -0.8543 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2613   -0.4858   -1.0058 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
M  END
$$$$

     RDKit          3D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -1.6070   -3.0643    0.8699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1519   -1.6120    0.6748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3831   -1.3974   -0.5890 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1572   -0.0107   -0.6661 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3387    0.2920    0.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -0.6739    0.1431 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9369   -2.0534    0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7719   -2.3136   -0.7405 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
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -1.6070   -3.0643    0.8699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1519   -1.6120    0.6748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4378   -0.7511    0.6577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8433   -0.1870    1.6716 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0614   -0.7550   -0.5725 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

  7  7  0  0  0  0  0  0  0  0999 V2000
    1.3387    0.2920    0.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1572   -0.0107   -0.6661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3831   -1.3974   -0.5890 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7719   -2.3136   -0.7405 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9369   -2.0534    0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -0.6739    0.1431 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5125   -0.4429    1.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
  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

  3  2  0  0  0  0  0  0  0  0999 V2000
   -2.8433   -0.1870    1.6716 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4378   -0.7511    0.6577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0614   -0.7550   -0.5725 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
    0.1572   -0.0107   -0.6661 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3387    0.2920    0.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -0.6739    0.1431 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9369   -2.0534    0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7719   -2.3136   -0.7405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3831   -1.3974   -0.5890 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
   -0.1923    1.2842    0.8467 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7224    1.1200    0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6234    1.4952   -1.4353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0973    1.7646   -1.9623 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

  3  2  0  0  0  0  0  0  0  0999 V2000
   -0.1923    1.2842    0.8467 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7224    1.1200    0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6234    1.4952   -1.4353 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

  3  2  0  0  0  0  0  0  0  0999 V2000
   -1.7187   -1.6782    0.7306 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3943   -0.6493    0.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1225   -0.3005   -0.2614 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
    1.2642    0.8702    2.9165 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1462   -0.0390    2.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5789    0.5585    1.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2304    1.8970    1.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4789    2.6821    2.6272 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0213    2.3775    2.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8638    3.0571    1.5996 C   0  0  0  0  0  0  0  0  0  0  0  0
  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

  4  3  0  0  0  0  0  0  0  0999 V2000
    0.7102    3.0502   -1.0149 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6570    2.3046   -0.7702 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2422    2.2161    0.4759 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8638    3.0571    1.5996 C   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
    0.7102    3.0502   -1.0149 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6570    2.3046   -0.7702 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2422    2.2161    0.4759 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
    0.7102    3.0502   -1.0149 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6570    2.3046   -0.7702 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2096    1.3434   -1.8127 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2422    2.2161    0.4759 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8638    3.0571    1.5996 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
    0.7102    3.0502   -1.0149 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6570    2.3046   -0.7702 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2096    1.3434   -1.8127 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2422    2.2161    0.4759 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  6  0  0  0  0  0  0  0  0999 V2000
   -0.5789    0.5585    1.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1462   -0.0390    2.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2642    0.8702    2.9165 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0213    2.3775    2.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4789    2.6821    2.6272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2304    1.8970    1.5534 C   0  0  0  0  0  0  0  0  0  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

  6  6  0  0  0  0  0  0  0  0999 V2000
   -0.6603   -0.6557   -0.4458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9313    0.4396    0.3866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9924    1.3039    0.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7994    1.0647   -1.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5235   -0.0055   -1.8595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4623   -0.8693   -1.5697 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
    0.4112   -3.1083   -1.7481 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9221   -2.5752   -0.7667 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4377   -1.4643   -0.0959 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
    0.4112   -3.1083   -1.7481 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9221   -2.5752   -0.7667 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1731   -3.1719   -0.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4377   -1.4643   -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

  6  6  0  0  0  0  0  0  0  0999 V2000
   -2.0790   -0.6711   -0.6957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2201   -0.8862   -2.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3591   -1.5192   -2.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3649   -1.9478   -1.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2403   -1.7383   -0.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1103   -1.0915    0.1734 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
   -0.6391   -1.8014   -1.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8075   -0.9121   -1.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5370   -0.9666   -0.9430 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

  3  2  0  0  0  0  0  0  0  0999 V2000
    2.2771   -2.6700   -0.5129 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4277   -1.5389    0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5370   -0.9666   -0.9430 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
    2.2771   -2.6700   -0.5129 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4277   -1.5389    0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5370   -0.9666   -0.9430 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6391   -1.8014   -1.2217 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

  5  4  0  0  0  0  0  0  0  0999 V2000
    2.2771   -2.6700   -0.5129 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4277   -1.5389    0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5370   -0.9666   -0.9430 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6391   -1.8014   -1.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8075   -0.9121   -1.7160 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  1  0
M  END
$$$$

     RDKit          3D

  5  5  0  0  0  0  0  0  0  0999 V2000
   -0.0413    0.4648   -0.6292 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2065    0.8558   -1.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7736    1.8327   -0.4595 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9401    1.9889    0.5851 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1427    1.1505    0.5614 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
   -0.7691    1.5178    2.7748 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0465    1.0509    1.6743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2253    0.3989    1.3963 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
    2.7864   -3.1878   -1.4692 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5686   -1.9787   -1.3694 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8715   -1.2312   -2.3482 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6812   -1.9817   -3.5860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8338   -1.2912   -4.6351 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4014    0.0845   -4.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2856    0.9217   -3.6554 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9081    0.2676   -2.3970 C   0  0  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
  8  7  1  6
  8  3  1  0
M  END
$$$$

     RDKit          3D

  5  5  0  0  0  0  0  0  0  0999 V2000
   -1.7321   -3.0095   -2.2430 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5347   -3.5929   -1.3061 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9616   -2.6197   -0.5203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5346   -1.4134   -1.0605 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625   -1.7020   -2.0591 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  1  4  0
M  END
$$$$

     RDKit          3D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -3.5870   -2.8136    0.8154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4280   -3.6279    1.9798 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1488   -2.4371    1.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4018   -1.1605    2.1158 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2929   -0.3822    1.8590 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7525   -1.0928    1.4887 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4673   -2.7935    1.5204 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

  5  5  0  0  0  0  0  0  0  0999 V2000
   -0.2929   -0.3822    1.8590 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4018   -1.1605    2.1158 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1488   -2.4371    1.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4673   -2.7935    1.5204 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7525   -1.0928    1.4887 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

  7  7  0  0  0  0  0  0  0  0999 V2000
   -0.2929   -0.3822    1.8590 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4018   -1.1605    2.1158 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1488   -2.4371    1.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4280   -3.6279    1.9798 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4673   -2.7935    1.5204 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7525   -1.0928    1.4887 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9487   -0.6051    1.0897 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  1  0
  6  1  4  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -3.5870   -2.8136    0.8154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9616   -2.6197   -0.5203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5347   -3.5929   -1.3061 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321   -3.0095   -2.2430 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625   -1.7020   -2.0591 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5346   -1.4134   -1.0605 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
   -0.2929   -0.3822    1.8590 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4018   -1.1605    2.1158 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1488   -2.4371    1.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4673   -2.7935    1.5204 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7525   -1.0928    1.4887 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9487   -0.6051    1.0897 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  1  0
  5  1  4  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -1.4018   -1.1605    2.1158 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2929   -0.3822    1.8590 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7525   -1.0928    1.4887 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4673   -2.7935    1.5204 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1488   -2.4371    1.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4280   -3.6279    1.9798 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

  3  2  0  0  0  0  0  0  0  0999 V2000
   -0.4952   -1.6421    0.4418 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6440   -0.4252    0.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7961    0.2802    0.3502 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
    0.5478    1.5314    0.7095 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9387    0.7406   -0.1375 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2186    0.2675   -0.2032 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1704    0.6009    0.8363 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1607    0.2204   -1.1402 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
    0.5478    1.5314    0.7095 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9387    0.7406   -0.1375 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1607    0.2204   -1.1402 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2186    0.2675   -0.2032 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
    0.8939   -2.7021    1.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0640   -1.2699    0.7530 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4850   -0.3381    1.9083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2387   -0.8071    0.1500 N   0  0  0  0  0  4  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  2  4  1  0
M  CHG  1   4   1
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
    0.8939   -2.7021    1.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0640   -1.2699    0.7530 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4850   -0.3381    1.9083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2387   -0.8071    0.1500 N   0  0  0  0  0  4  0  0  0  0  0  0
   -0.5207   -1.2177   -1.2510 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  1  0
M  CHG  1   4   1
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    0.8939   -2.7021    1.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0640   -1.2699    0.7530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2387   -0.8071    0.1500 N   0  0  0  0  0  4  0  0  0  0  0  0
   -0.5207   -1.2177   -1.2510 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  CHG  1   3   1
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.8939   -2.7021    1.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0640   -1.2699    0.7530 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4850   -0.3381    1.9083 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

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.1874   -1.7529    1.2081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7030   -2.0226    0.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5418   -2.9163   -0.6320 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
    0.1874   -1.7529    1.2081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7030   -2.0226    0.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5418   -2.9163   -0.6320 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7448   -3.5191   -0.9276 C   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
    0.1874   -1.7529    1.2081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7030   -2.0226    0.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5418   -2.9163   -0.6320 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7448   -3.5191   -0.9276 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5639   -2.7021   -1.9298 C   0  0  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
    1.5639   -2.7021   -1.9298 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7448   -3.5191   -0.9276 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0027   -1.3482   -1.3635 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
    1.5639   -2.7021   -1.9298 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0027   -1.3482   -1.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1192   -0.5038   -2.5338 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7448   -3.5191   -0.9276 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

  6  5  0  0  0  0  0  0  0  0999 V2000
    0.1874   -1.7529    1.2081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7030   -2.0226    0.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5418   -2.9163   -0.6320 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7448   -3.5191   -0.9276 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5639   -2.7021   -1.9298 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0027   -1.3482   -1.3635 C   0  0  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
    2.0027   -1.3482   -1.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5639   -2.7021   -1.9298 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1192   -0.5038   -2.5338 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

  6  6  0  0  0  0  0  0  0  0999 V2000
    0.4200   -2.4110   -0.2969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3959   -3.3850   -0.8776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7128   -3.0768   -1.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2513   -1.7981   -1.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4239   -0.8390   -0.4241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1047   -1.1380   -0.0587 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
    2.1144   -3.9477    0.2763 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8146   -2.7762    0.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7198   -1.7404    0.1528 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

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.1144   -3.9477    0.2763 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8146   -2.7762    0.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7198   -1.7404    0.1528 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4200   -2.4110   -0.2969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3959   -3.3850   -0.8776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7128   -3.0768   -1.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2513   -1.7981   -1.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4239   -0.8390   -0.4241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1047   -1.1380   -0.0587 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  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
    2.1144   -3.9477    0.2763 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8146   -2.7762    0.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7198   -1.7404    0.1528 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1154   -2.0086    0.4099 C   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
   -3.3669   -3.3569    0.1691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4348   -2.2475    0.0321 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3422   -2.4344   -0.8051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1580   -3.4618   -1.4525 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4550   -1.3909   -0.8428 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

  5  4  0  0  0  0  0  0  0  0999 V2000
   -2.3903   -1.6230    0.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0712   -0.8845   -0.4756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6692   -0.3632   -0.3865 N   0  0  0  0  0  4  0  0  0  0  0  0
    0.4359   -1.2814   -0.7555 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7780   -0.5447   -0.6924 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  1  0
M  CHG  1   3   1
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.4359   -1.2814   -0.7555 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7780   -0.5447   -0.6924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6692   -0.3632   -0.3865 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

  4  3  0  0  0  0  0  0  0  0999 V2000
   -0.1095   -1.0184   -1.6263 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5634   -0.7142   -0.5257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0341   -1.1599    0.6237 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2765   -1.8989    0.6108 C   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
   -0.1095   -1.0184   -1.6263 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5634   -0.7142   -0.5257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0341   -1.1599    0.6237 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
   -0.8643   -2.1527   -0.5751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0698   -0.6369   -0.6621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4031    0.0299    0.4551 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
    0.9512   -0.7000   -1.5888 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3520    0.1513   -0.9369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9174    1.3529   -0.6052 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2798    1.7142   -0.9506 C   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
    0.9512   -0.7000   -1.5888 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3520    0.1513   -0.9369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9174    1.3529   -0.6052 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
   -0.0248   -1.0840   -1.4475 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1593   -0.1044   -0.7264 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8480    0.6280   -0.1357 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3888    0.4419   -0.4240 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
   -0.7889   -1.9826   -0.7235 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0176   -0.9597   -0.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0603   -0.1287    0.4416 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
   -0.7889   -1.9826   -0.7235 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0176   -0.9597   -0.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0603   -0.1287    0.4416 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3584   -0.4021    0.2904 C   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
    2.7699    1.6484   -2.5150 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8391    1.5146   -1.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8856    0.0199   -1.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3522   -0.3231   -1.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8014    0.6693   -2.3410 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  6
  5  1  1  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
    2.7699    1.6484   -2.5150 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8391    1.5146   -1.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8856    0.0199   -1.0784 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3584   -0.4021    0.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3522   -0.3231   -1.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8014    0.6693   -2.3410 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  1
  3  5  1  0
  5  6  1  6
  6  1  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    2.5513   -1.8951   -0.8840 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1767   -0.8191   -0.4341 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8470   -0.4976   -0.3008 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9861    0.1965    0.0199 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
    2.5513   -1.8951   -0.8840 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1767   -0.8191   -0.4341 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8470   -0.4976   -0.3008 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1550   -1.4006   -0.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9861    0.1965    0.0199 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
   -2.3655   -1.4430    2.8417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0011   -0.2914    1.8633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0758    1.0012    2.7212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5097   -0.5186    1.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0668    0.4459    0.4006 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -0.5097   -0.5186    1.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0011   -0.2914    1.8633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3655   -1.4430    2.8417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0758    1.0012    2.7212 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

  5  4  0  0  0  0  0  0  0  0999 V2000
    3.6648    0.5692   -2.2951 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1717   -0.5685   -1.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -0.2476   -0.7858 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7217   -0.3197   -1.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6236   -0.6684   -2.6475 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  2  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
    0.6236   -0.6684   -2.6475 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7217   -0.3197   -1.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4425    0.0830   -0.6554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6529    0.2131   -1.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -0.2476   -0.7858 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  2  5  1  0
M  END
$$$$

     RDKit          3D

  7  6  0  0  0  0  0  0  0  0999 V2000
    3.6648    0.5692   -2.2951 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1717   -0.5685   -1.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -0.2476   -0.7858 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7217   -0.3197   -1.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6236   -0.6684   -2.6475 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4425    0.0830   -0.6554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6529    0.2131   -1.2186 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  2  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.6236   -0.6684   -2.6475 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7217   -0.3197   -1.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -0.2476   -0.7858 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
   -0.2066   -0.4599    2.3267 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0046    0.0220    1.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2936   -0.1261    0.5043 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2728   -0.8557    1.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276    0.7395    0.5107 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  2  5  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -0.2066   -0.4599    2.3267 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0046    0.0220    1.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276    0.7395    0.5107 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
   -2.1775   -1.5247   -2.6449 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7928   -1.3262   -1.4973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5348   -0.9067   -1.1110 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
    0.5930   -0.6014   -1.9137 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5225   -0.6660   -3.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6185   -0.3400   -4.1147 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8146    0.0502   -3.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9156    0.1243   -2.1434 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8143   -0.1835   -1.3209 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
    0.8094    1.2722   -0.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1324    1.5648    0.9426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0346    0.6446    1.1226 N   0  0  0  0  0  4  0  0  0  0  0  0
   -1.8831    0.9773    2.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6584   -0.8109    1.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0100   -1.1100   -0.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2256   -0.2029   -0.4942 C   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

  6  6  0  0  0  0  0  0  0  0999 V2000
   -1.6415    2.3695    2.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9547    1.5069    1.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2084    0.9315    1.1285 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3672    0.2129    0.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9755    0.1861   -0.9788 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1215    1.1799    0.1348 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

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.4039   -0.6061    0.6354 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2945   -1.7416    0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1633    0.3878   -0.4655 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
   -1.0867   -0.5015   -1.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2170   -0.3819   -2.8008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1184   -0.0164   -3.5811 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1189    0.2304   -2.9845 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2837    0.1132   -1.5969 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1634   -0.2589   -0.8307 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
   -4.0586   -2.9884    0.6356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3322   -1.5221    0.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4734   -1.0555   -0.8635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9784   -0.9395   -1.9798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1378   -0.8625   -0.5550 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
   -3.9784   -0.9395   -1.9798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4734   -1.0555   -0.8635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1378   -0.8625   -0.5550 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
    1.1963   -4.2586    1.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5510   -3.5138   -0.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5556   -1.9723    0.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3213   -1.3502   -1.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -1.7108    1.4592 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6336   -2.5472    2.5369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5398   -3.9346    2.2287 O   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

  3  2  0  0  0  0  0  0  0  0999 V2000
    2.8883   -2.0972   -0.6376 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0118   -1.4651   -0.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2629   -0.2254    0.4954 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
    3.5364    1.1505    2.6670 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9038    0.3035    2.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3394   -0.3687    0.9127 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
   -0.1508   -1.4746    1.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0942   -1.5803    0.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4215   -0.4526   -0.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7908    0.7712   -0.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1509    0.8729    0.6694 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4839   -0.2499    1.4438 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5301   -0.1423    2.5319 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

  4  3  0  0  0  0  0  0  0  0999 V2000
    3.5364    1.1505    2.6670 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9038    0.3035    2.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5301   -0.1423    2.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3394   -0.3687    0.9127 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  6  0  0  0  0  0  0  0  0999 V2000
    0.4839   -0.2499    1.4438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1508   -1.4746    1.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0942   -1.5803    0.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4215   -0.4526   -0.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7908    0.7712   -0.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1509    0.8729    0.6694 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
    1.4685   -0.4940   -0.4856 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4207    0.2163    0.5133 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4570    0.1206    1.4995 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
    0.3683    0.9381   -1.8361 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3448   -0.2636   -1.9048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5858   -1.4154   -2.2960 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3287    0.0202   -3.0608 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

  5  4  0  0  0  0  0  0  0  0999 V2000
    0.4963    4.1282   -0.6887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379    3.0198    0.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1343    1.7168   -0.5094 N   0  0  0  0  0  4  0  0  0  0  0  0
   -0.2526    0.4651    0.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4740   -0.7569   -0.3307 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  6
M  CHG  1   3   1
M  END
$$$$

     RDKit          3D

  7  7  0  0  0  0  0  0  0  0999 V2000
    0.3339    1.0293    0.4470 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1189    0.1515    0.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6912   -1.0206   -0.4927 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5237   -2.0909   -1.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5541   -3.1959   -1.4103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7300   -2.4376   -1.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7323   -1.2774   -0.7264 C   0  0  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  3  1  0
M  END
$$$$

     RDKit          3D

  8  8  0  0  0  0  0  0  0  0999 V2000
    0.3339    1.0293    0.4470 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1189    0.1515    0.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6208    0.2977    0.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6912   -1.0206   -0.4927 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5237   -2.0909   -1.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5541   -3.1959   -1.4103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7300   -2.4376   -1.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7323   -1.2774   -0.7264 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  4  1  0
M  END
$$$$

     RDKit          3D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -0.8342   -3.6960    3.3917 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4992   -2.8662    2.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7268   -2.4720    2.8424 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3360   -1.6397    1.9725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7772   -1.1785    0.7912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4850   -1.6398    0.5523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8477   -2.4851    1.4127 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

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.0596    1.3559    0.7950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2470    0.4395    0.8321 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1502    0.6254    1.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4503    2.0999    1.6427 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0895    2.3407    2.3994 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4576   -0.8666    0.4181 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
   -2.0596    1.3559    0.7950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2470    0.4395    0.8321 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1502    0.6254    1.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4503    2.0999    1.6427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4576   -0.8666    0.4181 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
    0.4503    2.0999    1.6427 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1502    0.6254    1.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0895    2.3407    2.3994 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

  4  3  0  0  0  0  0  0  0  0999 V2000
   -2.0596    1.3559    0.7950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2470    0.4395    0.8321 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1502    0.6254    1.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4576   -0.8666    0.4181 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
   -2.0596    1.3559    0.7950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2470    0.4395    0.8321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4576   -0.8666    0.4181 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
   -2.9662    2.9284    1.3365 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6421    1.8413    0.8634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3760    1.5641    0.3419 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3681    2.6138    0.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776    2.5756   -0.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2015    1.1882   -0.9592 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1160    0.1047   -0.9867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8543    0.2029    0.1882 C   0  0  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
    2.1744    0.0206    0.9365 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2765    0.9029    0.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3766    1.7287   -0.0130 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5697    1.4995    0.7725 C   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
    2.1744    0.0206    0.9365 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2765    0.9029    0.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3766    1.7287   -0.0130 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
    4.6186    1.6259   -2.5524 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3557    1.8113   -3.1021 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5064    1.0660   -2.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0893    0.4126   -1.3731 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4146    0.7835   -1.5245 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
    1.0656    1.0963   -2.7066 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5064    1.0660   -2.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0893    0.4126   -1.3731 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4146    0.7835   -1.5245 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6186    1.6259   -2.5524 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3557    1.8113   -3.1021 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  5  0  0  0  0  0  0  0  0999 V2000
    1.0912    1.2156    3.4158 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0240    0.8574    2.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1727    0.6393    1.6066 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4598    0.6466    2.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8148    2.0222    2.9219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2316    2.1979    4.2138 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  1
  5  6  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.0912    1.2156    3.4158 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0240    0.8574    2.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1727    0.6393    1.6066 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
    1.4157    0.4536   -2.9413 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1328   -0.3880   -2.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9840   -1.4229   -1.7801 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
    1.4157    0.4536   -2.9413 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1328   -0.3880   -2.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9840   -1.4229   -1.7801 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3136   -1.5270   -2.3388 C   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
    0.3467    2.3213    3.0698 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6360    1.6612    2.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2667    0.8279    1.4523 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
    3.0936    2.3744    1.7585 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0617    2.0022    0.7922 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4506    1.1024   -0.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1598    0.9103    0.3412 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9402    1.6834    1.4485 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
   -0.9643    0.2843    1.8936 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5420   -0.8360    1.6342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8952   -1.6212    0.5612 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
   -3.1011   -1.4975   -2.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0069   -0.2214   -2.1386 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1592   -0.0454   -1.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6753   -1.2219   -0.4995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1902   -2.5589   -1.4428 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  1  4  0
M  END
$$$$

     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -0.9643    0.2843    1.8936 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5420   -0.8360    1.6342 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4459   -1.5273    2.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5261   -0.5704    3.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3301    0.1158    1.9573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8952   -1.6212    0.5612 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
    2.3301    0.1158    1.9573 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5261   -0.5704    3.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0244   -0.8565    1.1656 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

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.5261   -0.5704    3.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4459   -1.5273    2.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3301    0.1158    1.9573 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
    1.5261   -0.5704    3.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3301    0.1158    1.9573 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0244   -0.8565    1.1656 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4459   -1.5273    2.5588 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

  4  3  0  0  0  0  0  0  0  0999 V2000
   -0.9643    0.2843    1.8936 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5420   -0.8360    1.6342 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4459   -1.5273    2.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8952   -1.6212    0.5612 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
   -0.9643    0.2843    1.8936 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5420   -0.8360    1.6342 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4459   -1.5273    2.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5261   -0.5704    3.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8952   -1.6212    0.5612 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
    2.0923   -1.0325    0.9710 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4126   -1.8779    0.1333 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6102   -1.8794   -0.5217 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6311   -0.8876   -0.2455 C   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
    2.0923   -1.0325    0.9710 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4126   -1.8779    0.1333 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6102   -1.8794   -0.5217 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
   -1.3925    2.2829    0.6113 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8556    1.2274    0.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4857    0.0407   -0.0077 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
    0.0140   -1.4986    0.5774 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7307   -0.4944    0.5899 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1588    0.7540    0.7731 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8472    2.0208    0.8411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3372    3.2549    1.4348 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7156    2.0844    1.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2998    0.8816    0.6882 C   0  0  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  3  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -3.1668    1.7906   -0.5355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7532    1.3671   -0.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3292    2.3790    1.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7748    1.5197   -1.2785 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

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.4990   -0.9067   -2.1536 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0596   -0.1551   -1.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5761    1.0807   -0.9861 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
    0.4990   -0.9067   -2.1536 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0596   -0.1551   -1.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5761    1.0807   -0.9861 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7748    1.5197   -1.2785 C   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
   -3.2412   -0.4465    2.2915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5158   -0.1438    2.0492 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6080   -0.0814    0.6946 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3905   -0.3467    0.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4805   -0.5878    1.1172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0304   -0.9218    0.9992 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  1  4  0
M  END
$$$$

     RDKit          3D

  5  5  0  0  0  0  0  0  0  0999 V2000
   -3.2412   -0.4465    2.2915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5158   -0.1438    2.0492 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6080   -0.0814    0.6946 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3905   -0.3467    0.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4805   -0.5878    1.1172 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

  7  7  0  0  0  0  0  0  0  0999 V2000
   -3.2412   -0.4465    2.2915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5158   -0.1438    2.0492 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6080   -0.0814    0.6946 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3905   -0.3467    0.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4805   -0.5878    1.1172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0304   -0.9218    0.9992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2679    0.0047    0.1672 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  1  0
  6  7  1  0
  5  1  4  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
    3.9580   -0.2332   -0.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2591    0.9381   -0.4799 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8639    0.9941   -0.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1249   -0.1023    0.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8234   -1.2854    0.3665 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2185   -1.3466    0.2338 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
    1.8639    0.9941   -0.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2591    0.9381   -0.4799 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9580   -0.2332   -0.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2185   -1.3466    0.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8234   -1.2854    0.3665 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1249   -0.1023    0.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2679    0.0047    0.1672 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  7  1  0
  6  1  4  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    2.4398   -2.2441    1.9722 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7054   -1.3795    1.1398 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7966   -0.7460    0.3167 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
    0.4029   -0.9403    0.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3059   -1.8357    1.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6929   -1.9623    0.9124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3819   -1.1839   -0.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6816   -0.3011   -0.8365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2964   -0.1760   -0.6980 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
    0.0865    2.7740   -1.6263 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6429    2.0683   -0.5916 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9446    2.5405   -0.1710 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3475    1.9348    0.7806 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
    0.1801   -2.8037   -0.5528 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8006   -2.3149    0.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1559   -1.6546    1.4261 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
    2.9886   -3.4549   -0.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3351   -2.1700    0.4405 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8006   -2.3149    0.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1801   -2.8037   -0.5528 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1559   -1.6546    1.4261 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

  5  4  0  0  0  0  0  0  0  0999 V2000
    1.1691    1.5140    3.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5033    1.3117    1.9605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5785    0.2062    2.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5544   -0.6486    2.9338 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5392    0.3077    1.0569 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
    0.1712    1.4935   -0.7070 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2668    1.1689   -0.2748 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5564    0.9992    1.0364 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
   -0.5544   -0.6486    2.9338 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5785    0.2062    2.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5392    0.3077    1.0569 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
    1.1691    1.5140    3.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5033    1.3117    1.9605 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5564    0.9992    1.0364 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2668    1.1689   -0.2748 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1712    1.4935   -0.7070 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
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -2.0013   -1.2985   -0.7866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4574   -1.3613   -2.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6128   -0.6863   -2.4888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3276    0.0611   -1.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9015    0.1564   -0.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7226   -0.5181    0.1405 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
    1.4819    1.3706   -1.4354 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0906    0.6144   -0.6833 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4575    0.5565   -0.5892 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
    1.4819    1.3706   -1.4354 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0906    0.6144   -0.6833 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4575    0.5565   -0.5892 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125    1.2595   -1.5073 C   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
   -0.1097   -3.0376   -0.4457 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5424   -2.2043   -1.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7938   -2.5567   -1.8236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4438   -1.2128   -2.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944   -0.2269   -2.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3195   -0.8228   -1.1844 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
    4.6572   -0.6048   -1.3883 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4991   -0.8436   -1.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0767   -0.7776    0.2485 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
   -0.7526    4.4093    0.4928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7871    2.9951    1.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1432    1.9980    0.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1922    0.6471    0.6384 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0191    0.1538    1.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.7302   -2.5557    0.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0558   -1.7138    1.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8294   -1.5921   -0.7260 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
   -1.6864    3.7121    0.0145 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6297    2.5367   -0.3465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7355    1.7353   -0.2321 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
   -0.6579   -2.3031    0.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4213   -1.4955   -0.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1296   -0.2391   -0.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1216    0.2399   -0.8714 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1698   -0.5411   -0.5339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9564   -1.8244   -0.0266 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
    1.6338   -3.8794    1.1728 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2796   -2.9869    0.6331 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7701   -1.8632    0.0091 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4213   -1.4955   -0.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6579   -2.3031    0.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9564   -1.8244   -0.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1698   -0.5411   -0.5339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1216    0.2399   -0.8714 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1296   -0.2391   -0.6627 C   0  0  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

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.6338   -3.8794    1.1728 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2796   -2.9869    0.6331 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7701   -1.8632    0.0091 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
    1.6338   -3.8794    1.1728 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2796   -2.9869    0.6331 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7995   -3.0292    0.6109 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7701   -1.8632    0.0091 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
    1.6338   -3.8794    1.1728 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2796   -2.9869    0.6331 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7995   -3.0292    0.6109 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4310   -2.2736    1.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7701   -1.8632    0.0091 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
   -0.8945   -1.0179    1.7025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2886    0.2393    1.0779 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4429    1.0749    0.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8585    1.9563   -0.3797 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8937    0.8361    0.5563 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

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.3304    1.9340    0.3010 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1049    0.7904   -0.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375    0.2074    0.0294 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
   -1.1456    0.8599    2.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2518    0.8993    0.6519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375    0.2074    0.0294 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1049    0.7904   -0.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3304    1.9340    0.3010 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
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.5168   -1.0406    0.4292 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8482   -0.0500   -0.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1485    0.3578   -0.4296 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
   -2.6705    3.3904   -1.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3888    2.7317   -0.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7132    2.4064    0.6825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4558    1.4877   -0.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1164    1.9176   -0.5769 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  1
M  END
$$$$

     RDKit          3D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -2.6705    3.3904   -1.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3888    2.7317   -0.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7132    2.4064    0.6825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4558    1.4877   -0.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1164    1.9176   -0.5769 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7940    2.2746    0.5392 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9756    3.0504   -0.0451 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  1
  5  6  1  0
  6  7  1  6
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -2.6705    3.3904   -1.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3888    2.7317   -0.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7132    2.4064    0.6825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4558    1.4877   -0.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0200    0.3685   -1.0281 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  1
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.9756    3.0504   -0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7940    2.2746    0.5392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1164    1.9176   -0.5769 N   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  5  0  0  0  0  0  0  0  0999 V2000
    1.2767    0.8198    2.5779 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7835   -0.4567    2.7211 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0724   -0.9031    1.5097 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7953    0.0389    0.5471 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2916    1.0737    1.2878 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  5  0  0  0  0  0  0  0  0999 V2000
   -2.6705    3.3904   -1.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3888    2.7317   -0.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7132    2.4064    0.6825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4558    1.4877   -0.1057 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0200    0.3685   -1.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1164    1.9176   -0.5769 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
  4  6  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.6399    0.8157   -0.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2602    0.2993   -0.1962 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7095    1.3908   -0.2221 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

  5  4  0  0  0  0  0  0  0  0999 V2000
    2.8502   -2.2596    1.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3784   -0.9212    1.3662 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6525   -0.3364    0.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6399    0.8157   -0.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2602    0.2993   -0.1962 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  1
  4  5  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    2.8502   -2.2596    1.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3784   -0.9212    1.3662 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6525   -0.3364    0.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6399    0.8157   -0.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  1
M  END
$$$$

     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
    2.8502   -2.2596    1.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3784   -0.9212    1.3662 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6525   -0.3364    0.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6399    0.8157   -0.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2602    0.2993   -0.1962 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7095    1.3908   -0.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  1
  4  5  1  0
  5  6  1  0
M  END
$$$$

     RDKit          3D

  6  6  0  0  0  0  0  0  0  0999 V2000
    1.9169    0.0951    1.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2579   -1.0261    0.7337 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5372   -1.1230    0.1707 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.1203    0.3575 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1428    0.9805    1.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8637    1.0888    1.7175 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
   -1.1538   -2.2545   -1.9169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5765   -1.3819   -0.8984 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6675   -1.7656   -0.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1256   -2.9048   -0.4688 O   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
   -0.1730   -0.2585   -0.2784 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2776   -0.2959    0.7396 S   0  0  0  0  0  4  0  0  0  0  0  0
   -0.6202    0.3976    2.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  1
M  END
$$$$

     RDKit          3D

  7  7  0  0  0  0  0  0  0  0999 V2000
    0.5994   -0.3541    2.8143 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2259   -2.0386    3.4169 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5939   -2.9569    1.9889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0699   -4.0228    1.5916 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4427   -4.3672    0.3533 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3867   -3.4860    0.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5815   -2.6021    1.1143 O   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

  5  4  0  0  0  0  0  0  0  0999 V2000
   -0.1730   -0.2585   -0.2784 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2776   -0.2959    0.7396 S   0  0  0  0  0  4  0  0  0  0  0  0
   -0.6202    0.3976    2.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5994   -0.3541    2.8143 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2259   -2.0386    3.4169 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  1
  3  4  1  0
  4  5  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.5994   -0.3541    2.8143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6202    0.3976    2.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2259   -2.0386    3.4169 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

  6  6  0  0  0  0  0  0  0  0999 V2000
    2.1987   -3.2921   -1.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3867   -3.4860    0.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4427   -4.3672    0.3533 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0699   -4.0228    1.5916 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5939   -2.9569    1.9889 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5815   -2.6021    1.1143 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

  4  3  0  0  0  0  0  0  0  0999 V2000
   -0.1730   -0.2585   -0.2784 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2776   -0.2959    0.7396 S   0  0  0  0  0  4  0  0  0  0  0  0
   -0.6202    0.3976    2.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5994   -0.3541    2.8143 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  1
  3  4  1  0
M  END
$$$$

     RDKit          3D

  5  5  0  0  0  0  0  0  0  0999 V2000
    0.4427   -4.3672    0.3533 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0699   -4.0228    1.5916 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5939   -2.9569    1.9889 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5815   -2.6021    1.1143 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3867   -3.4860    0.0902 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
   -0.0699   -4.0228    1.5916 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4427   -4.3672    0.3533 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3867   -3.4860    0.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5815   -2.6021    1.1143 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5939   -2.9569    1.9889 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2259   -2.0386    3.4169 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

  6  5  0  0  0  0  0  0  0  0999 V2000
    1.8801   -3.0655   -0.5386 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2095   -2.0483   -0.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1244   -2.1376   -0.0366 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9114   -1.0287    0.1246 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1358   -1.2851    0.4709 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6093   -0.7466   -0.5766 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  2  6  1  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -0.1459   -0.5776    3.5422 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0109    0.6339    3.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3509    1.2883    3.5479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9597    1.5227    2.9668 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
   -0.1459   -0.5776    3.5422 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0109    0.6339    3.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9597    1.5227    2.9668 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
    0.2777    1.6515   -0.9026 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6746    0.7284   -0.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9450    0.6889    0.3281 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
    3.5969    1.5316   -1.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9376    1.7014    0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1507    0.1332   -1.6110 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
    0.2777    1.6515   -0.9026 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6746    0.7284   -0.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9450    0.6889    0.3281 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9376    1.7014    0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5969    1.5316   -1.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1507    0.1332   -1.6110 C   0  0  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

  5  4  0  0  0  0  0  0  0  0999 V2000
    0.2777    1.6515   -0.9026 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6746    0.7284   -0.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9450    0.6889    0.3281 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9376    1.7014    0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5969    1.5316   -1.3295 C   0  0  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
    0.2777    1.6515   -0.9026 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6746    0.7284   -0.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9450    0.6889    0.3281 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9376    1.7014    0.0394 C   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

  8  7  0  0  0  0  0  0  0  0999 V2000
   -3.7374   -3.0593    1.5245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4766   -1.9808    0.6258 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1997   -1.5005    0.6887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3366   -1.9058    1.4613 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0146   -0.3333   -0.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6102   -0.2145   -0.6685 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0747   -1.0038   -1.6618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7617   -1.6886   -2.4148 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  2  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -0.7617   -1.6886   -2.4148 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0747   -1.0038   -1.6618 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4465   -0.9214   -1.7839 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0037   -0.4209   -0.5705 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6102   -0.2145   -0.6685 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
   -0.7617   -1.6886   -2.4148 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0747   -1.0038   -1.6618 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4465   -0.9214   -1.7839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6102   -0.2145   -0.6685 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
   -0.7617   -1.6886   -2.4148 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0747   -1.0038   -1.6618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6102   -0.2145   -0.6685 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
   -0.1214    2.2775    0.7669 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2877    1.1238    0.8511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5434    0.7705    1.3123 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
   -0.1214    2.2775    0.7669 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2877    1.1238    0.8511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5434    0.7705    1.3123 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6725    1.6438    1.0066 C   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
   -0.5038    1.8282    0.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6363    1.0181    0.2211 N   0  0  0  0  0  4  0  0  0  0  0  0
    1.8367    1.8018   -0.1685 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

  6  5  0  0  0  0  0  0  0  0999 V2000
    2.5093    3.3668    2.2853 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4456    3.1658    1.7036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1024    3.4158    2.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4737    2.1004    2.8492 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3594    2.6399    0.4210 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5414    1.9858   -0.0525 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  1  0
M  END
$$$$

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
    2.5093    3.3668    2.2853 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4456    3.1658    1.7036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1024    3.4158    2.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3594    2.6399    0.4210 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5414    1.9858   -0.0525 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
M  END
$$$$

     RDKit          3D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -1.9453   -0.8531    2.5568 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8053   -0.3692    1.8146 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5501   -0.6223    2.2499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0116    1.3241    1.6925 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4737    2.1004    2.8492 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1024    3.4158    2.3459 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
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    2.5093    3.3668    2.2853 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4456    3.1658    1.7036 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3594    2.6399    0.4210 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5414    1.9858   -0.0525 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
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -1.9453   -0.8531    2.5568 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8053   -0.3692    1.8146 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5501   -0.6223    2.2499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0116    1.3241    1.6925 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

  5  4  0  0  0  0  0  0  0  0999 V2000
   -1.9453   -0.8531    2.5568 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8053   -0.3692    1.8146 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5501   -0.6223    2.2499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0116    1.3241    1.6925 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4737    2.1004    2.8492 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

  5  4  0  0  0  0  0  0  0  0999 V2000
    2.3955   -2.0247    1.7102 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4986   -2.5747    0.8443 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2780   -3.7842    0.8805 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6782   -1.6160   -0.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6231   -1.2442    0.6944 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  1
M  END
$$$$

     RDKit          3D

  5  5  0  0  0  0  0  0  0  0999 V2000
    2.2662    0.7102    0.7027 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5193    1.0571    0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0485    0.0367   -0.6462 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -1.3263   -0.6591 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8607   -0.5635    0.3581 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
   -2.4776   -1.4386    2.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2224   -1.6311    1.6208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9569   -2.7526    0.9461 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2934   -2.4915    0.3813 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6476   -1.2173    0.7562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2804   -0.6468    1.5040 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  5  0  0  0  0  0  0  0  0999 V2000
   -0.9569   -2.7526    0.9461 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2934   -2.4915    0.3813 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6476   -1.2173    0.7562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2804   -0.6468    1.5040 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2224   -1.6311    1.6208 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
    2.0601    1.8617    1.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8299    1.9910    0.3522 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5847    1.3302   -0.8644 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5901    0.5894   -1.3648 N   0  0  0  0  0  4  0  0  0  0  0  0
    2.7841    0.4392   -0.7657 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0607    1.0717    0.4402 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  CHG  1   4   1
M  END
$$$$

     RDKit          3D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.1745   -0.8959   -4.1031 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6204   -0.2807   -3.1309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6910   -0.9024   -2.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1560    0.9993   -2.8130 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1377    1.5041   -1.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8228    1.0863   -0.7374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6211    1.4805   -1.5465 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7052    1.0710   -2.9755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0416    1.5168   -3.6042 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
M  END
$$$$

     RDKit          3D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -3.1745   -0.8959   -4.1031 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6204   -0.2807   -3.1309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1560    0.9993   -2.8130 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1377    1.5041   -1.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8228    1.0863   -0.7374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6211    1.4805   -1.5465 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7052    1.0710   -2.9755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0416    1.5168   -3.6042 C   0  0  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

  3  2  0  0  0  0  0  0  0  0999 V2000
    3.0452    0.1317   -2.7183 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0049   -0.8966   -2.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6340   -0.6602   -2.9134 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
    0.1232    1.6312   -3.4220 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0299    0.7003   -2.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6340   -0.6602   -2.9134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6137    0.7973   -1.4178 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
    0.1232    1.6312   -3.4220 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0299    0.7003   -2.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6137    0.7973   -1.4178 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
    3.0452    0.1317   -2.7183 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0049   -0.8966   -2.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6340   -0.6602   -2.9134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0299    0.7003   -2.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1232    1.6312   -3.4220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6137    0.7973   -1.4178 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

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.6779   -0.5628   -0.8903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4790   -0.8253   -0.7581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4511   -0.0867   -1.3700 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9039    1.0090   -2.2406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1950    2.2978   -1.4603 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0686    3.2722   -2.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7436    4.5744   -1.5454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2619    4.4295   -1.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9789    3.0250   -1.1959 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
  5  4  1  6
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  5  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -0.8915   -2.9364    1.2060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2702   -2.1346    0.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8072   -0.9293    0.1507 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
    1.5764   -3.6938   -0.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8215   -3.5565   -0.6633 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1767   -2.2822   -0.8665 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1338   -1.5654   -0.4159 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0648   -2.4173    0.0102 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
    1.7143   -0.4731    1.4686 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3867   -0.6966    0.0616 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1565   -0.3775   -0.5007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0427   -0.3618   -1.7117 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8254   -0.0757    0.4029 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

  5  4  0  0  0  0  0  0  0  0999 V2000
    0.1464   -0.5139    2.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2497   -0.4944    0.5358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1976   -1.9090   -0.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2308   -2.5384   -0.3506 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9842   -2.5376   -0.3430 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
   -1.2308   -2.5384   -0.3506 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1976   -1.9090   -0.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9842   -2.5376   -0.3430 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
   -0.9469   -0.4887   -0.3009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5893    0.6651   -0.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9703    1.7293   -0.8767 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8720    1.5894   -2.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3040    1.1555   -1.6432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3742   -0.2970   -1.4768 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2142    1.0610    0.9309 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

  4  3  0  0  0  0  0  0  0  0999 V2000
   -0.9469   -0.4887   -0.3009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5893    0.6651   -0.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2142    1.0610    0.9309 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9703    1.7293   -0.8767 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
   -3.3040    1.1555   -1.6432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8720    1.5894   -2.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3742   -0.2970   -1.4768 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

  5  4  0  0  0  0  0  0  0  0999 V2000
   -0.9469   -0.4887   -0.3009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5893    0.6651   -0.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9703    1.7293   -0.8767 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8720    1.5894   -2.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2142    1.0610    0.9309 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  6  0  0  0  0  0  0  0  0999 V2000
    2.6099    0.8025    3.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1103    0.6713    3.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7812    0.0446    1.8269 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0211   -0.6179    1.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1189    0.3635    1.0557 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3657    1.2528    2.1980 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

  6  5  0  0  0  0  0  0  0  0999 V2000
   -0.9469   -0.4887   -0.3009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5893    0.6651   -0.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9703    1.7293   -0.8767 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8720    1.5894   -2.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3040    1.1555   -1.6432 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2142    1.0610    0.9309 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

  6  6  0  0  0  0  0  0  0  0999 V2000
   -0.2319   -0.8153   -0.8416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4058    0.1469    0.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4997    0.0595    1.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4310   -0.9723    0.8555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2537   -1.9414   -0.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1600   -1.8505   -1.0011 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  6  0  0  0  0  0  0  0  0999 V2000
    0.1399   -0.6709   -1.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1431    0.1272   -0.6594 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9535    0.9126    0.3762 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1992    1.3785    0.7321 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0685    0.8516   -0.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4547    0.0381   -1.0364 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
    0.9535    0.9126    0.3762 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1992    1.3785    0.7321 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0685    0.8516   -0.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4547    0.0381   -1.0364 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1431    0.1272   -0.6594 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
    1.9453    0.8296   -2.9977 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0031   -0.0231   -2.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6706   -1.4783   -2.3826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1332   -1.7033   -2.4525 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

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.9453    0.8296   -2.9977 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0031   -0.0231   -2.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6706   -1.4783   -2.3826 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

  3  2  0  0  0  0  0  0  0  0999 V2000
    2.1131   -2.4663   -1.3695 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5888   -1.0379   -1.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2342   -1.1122   -0.6007 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

  3  2  0  0  0  0  0  0  0  0999 V2000
   -0.9692   -0.0129   -3.4987 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9978    0.1095   -2.2761 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1190    0.5150   -1.5759 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
    1.3592    2.2258   -2.8399 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3799    0.8250   -2.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1190    0.5150   -1.5759 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9978    0.1095   -2.2761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9692   -0.0129   -3.4987 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  2  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.5099    1.7348   -1.8425 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4843    2.9060   -1.6727 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1173    1.1189   -0.5309 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

  5  4  0  0  0  0  0  0  0  0999 V2000
    1.3156    3.3164    1.9858 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3441    2.4258    1.2214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1651    1.3719    2.0733 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3392    1.4787    2.7697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0372    2.4889    2.7710 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  2  0
M  END
$$$$

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -2.0372    2.4889    2.7710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3392    1.4787    2.7697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7382    0.2221    3.5025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1651    1.3719    2.0733 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
   -2.0372    2.4889    2.7710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3392    1.4787    2.7697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7382    0.2221    3.5025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6755   -0.6264    2.6506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1651    1.3719    2.0733 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
    1.3156    3.3164    1.9858 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3441    2.4258    1.2214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1651    1.3719    2.0733 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3392    1.4787    2.7697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0372    2.4889    2.7710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7382    0.2221    3.5025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6755   -0.6264    2.6506 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

  6  5  0  0  0  0  0  0  0  0999 V2000
    1.3156    3.3164    1.9858 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3441    2.4258    1.2214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1651    1.3719    2.0733 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3392    1.4787    2.7697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0372    2.4889    2.7710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7382    0.2221    3.5025 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
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -2.0372    2.4889    2.7710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3392    1.4787    2.7697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1651    1.3719    2.0733 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
    1.1917    0.7069    2.3241 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1604   -0.1525    1.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0311   -1.0486    1.2403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0657   -1.1100   -0.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4276   -1.2569   -0.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0856   -0.4956    0.4485 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

  8  8  0  0  0  0  0  0  0  0999 V2000
   -1.5675   -1.6624   -0.6393 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0338   -0.6016   -0.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1659   -0.5093    0.3825 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6658   -1.7341    1.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1839   -1.6997    1.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5819   -0.4889    1.9986 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1853    0.7096    1.2371 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6653    0.7400    0.9752 C   0  0  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

  6  6  0  0  0  0  0  0  0  0999 V2000
   -1.6869    0.6402   -0.7725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3531    1.0978   -2.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9407    2.2585   -2.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8589    2.9590   -1.7768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1989    2.4952   -0.5023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6298    1.3206    0.0123 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
   -1.5675   -1.6624   -0.6393 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0338   -0.6016   -0.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1659   -0.5093    0.3825 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6658   -1.7341    1.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1839   -1.6997    1.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5819   -0.4889    1.9986 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0025   -0.4794    2.3929 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1853    0.7096    1.2371 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6653    0.7400    0.9752 C   0  0  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

  6  5  0  0  0  0  0  0  0  0999 V2000
    0.2768   -2.0700   -0.6617 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0952   -0.9666   -0.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3930   -0.5307   -0.2048 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483    0.0841    0.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5593    1.1606    0.5843 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2359   -0.3802   -0.0077 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

  3  2  0  0  0  0  0  0  0  0999 V2000
   -0.0951   -1.7656    0.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6029   -0.4897    0.7088 N   0  0  0  0  0  4  0  0  0  0  0  0
   -1.6929   -0.6261    1.7080 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

  5  4  0  0  0  0  0  0  0  0999 V2000
    1.4569   -2.7535   -3.8179 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5532   -1.8808   -2.9582 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9055   -1.3177   -2.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4634   -1.2718   -2.3794 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9021   -1.4993   -2.8061 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
    1.4569   -2.7535   -3.8179 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5532   -1.8808   -2.9582 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9055   -1.3177   -2.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4634   -1.2718   -2.3794 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
    1.4569   -2.7535   -3.8179 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5532   -1.8808   -2.9582 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4634   -1.2718   -2.3794 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
    1.4569   -2.7535   -3.8179 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5532   -1.8808   -2.9582 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4634   -1.2718   -2.3794 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9021   -1.4993   -2.8061 C   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
   -0.4501   -0.5215   -1.3808 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4055   -0.6928   -0.1676 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7159   -0.5560    0.6346 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
    4.7112    0.4015   -0.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3358    0.1340    0.9270 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0054   -0.1775    1.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0251   -0.2160    0.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3946    0.0777   -1.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7256    0.3879   -1.3884 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  6  0  0  0  0  0  0  0  0999 V2000
    3.3371    2.4729    2.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2708    1.5377    2.1647 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9481    1.9789    2.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    3.1469    2.3583 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1530    0.9291    1.9864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3912    0.1274    2.8772 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7056    1.0317    0.7252 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
M  END
$$$$

     RDKit          3D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -0.3461    0.8048    1.3858 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5684    0.1468    0.3759 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3931   -0.4365   -0.4307 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
M  END
$$$$
