
     RDKit          3D

 22 25  0  0  0  0  0  0  0  0999 V2000
   23.9890   11.5960   18.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3210   11.4640   18.7840 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6630   11.0960   20.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6490   10.8840   21.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3190   11.0270   20.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9880   11.3810   19.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2440   10.8070   21.7330 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.8520   10.8680   21.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8540   10.6460   22.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0450   11.6270   23.3000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9870   12.6610   22.9460 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3270   11.9770   22.7910 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.7770   11.3400   23.9760 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7260   10.0020   23.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4730    9.6360   22.5540 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.9310    9.1250   24.7980 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.0780   10.9870   20.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5170    9.9760   21.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7840    9.9640   21.7630 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.6370   10.8810   21.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2680   11.8600   20.5370 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.0170   11.9450   20.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  0
  4  3  2  0
  5  4  1  0
  6  5  2  0
  6  1  1  0
  7  5  1  6
  8  7  1  0
  9  8  1  0
 10  9  1  0
 11 10  1  0
 12 11  1  1
 12  7  1  0
 13 12  1  0
 14 13  1  0
 15  7  1  0
 15 14  2  0
 16 14  1  0
 17  3  1  0
 18 17  2  0
 19 18  1  0
 20 19  2  0
 21 20  1  0
 22 17  1  0
 22 21  2  0
M  END
$$$$

     RDKit          3D

 19 21  0  0  0  0  0  0  0  0999 V2000
   18.6790   10.8940   21.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8760    9.6220   22.6190 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3450    9.6270   21.1760 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4790   11.8080   24.2920 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.5140   11.7630   22.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7100    9.2150   24.7670 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.5550    9.7530   20.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8590   10.7120   20.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1020   10.1890   21.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2620   10.3730   20.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8630   11.5080   19.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5800   10.5280   21.4490 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.9500   11.9060   21.9290 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.9600   12.7150   22.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3230   10.0930   23.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0040   11.6730   18.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2010   11.1170   19.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7570   12.0240   18.8700 F   0  0  0  0  0  0  0  0  0  0  0  0
   26.3200   11.2980   18.4090 F   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0
  5  1  1  0
  7  3  1  0
  9  8  2  0
 10  9  1  0
 11  8  1  0
 12  7  1  0
 12  8  1  6
 12  2  1  0
 13 12  1  0
 13  5  1  1
 14 13  1  0
 14  4  1  0
 15  6  1  0
 15  2  2  0
 15  4  1  0
 16 11  2  0
 17 10  2  0
 17 16  1  0
 18 11  1  0
 19 17  1  0
M  END
$$$$

     RDKit          3D

 16 17  0  0  0  0  0  0  0  0999 V2000
   20.6950    9.9560   20.8820 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2050    9.8930   22.6900 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.0060   12.0970   24.2220 S   0  0  0  0  0  0  0  0  0  0  0  0
   21.8910   10.6980   21.5060 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.8690    9.5480   24.8150 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.4800   12.1250   21.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5630   12.8770   22.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6270   10.3910   23.7940 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1060   10.7640   20.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3720   10.2320   20.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4690   10.3640   20.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3420   11.0350   18.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1030   11.5640   18.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0130   11.4340   19.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8840   12.0230   18.8800 F   0  0  0  0  0  0  0  0  0  0  0  0
   26.4280   11.2380   18.0020 F   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  6
  4  2  1  0
  6  4  1  0
  7  6  1  0
  7  3  1  0
  8  5  1  0
  8  2  2  0
  8  3  1  0
  9  4  1  0
 10  9  2  0
 11 10  1  0
 12 11  2  0
 13 12  1  0
 14  9  1  0
 14 13  2  0
 15 14  1  0
 16 12  1  0
M  END
$$$$

     RDKit          3D

 11 12  0  0  0  0  0  0  0  0999 V2000
   23.8920   10.9750   19.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1430    9.6540   19.8400 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7820   11.7530   20.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6770    9.8870   20.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1750   12.7870   22.6090 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3660   10.1400   23.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3180   11.9530   21.3510 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.5250   10.6490   21.4640 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.7380    9.3100   24.6900 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.9210    9.6990   22.5310 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.5620   11.8400   24.1130 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  1  1  0
  4  2  1  0
  7  3  1  1
  7  5  1  0
  8  4  1  6
  8  7  1  0
  9  6  1  0
 10  8  1  0
 10  6  2  0
 11  6  1  0
 11  5  1  0
M  END
$$$$

     RDKit          3D

 18 20  0  0  0  0  0  0  0  0999 V2000
   28.6970   10.5240   20.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9220   11.6800   20.9560 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.7880   12.6650   21.6350 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0810   12.2010   19.9710 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4190   13.2930   19.2740 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.6450   13.8320   18.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4810   13.2870   17.9980 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.0290   12.1840   18.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7860   11.6150   18.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3430   10.5040   18.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1080    9.9180   19.9810 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3250   10.4360   20.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8200   11.5870   19.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1160   14.9710   17.6690 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.3480   16.1150   18.5710 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6660   17.2890   17.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8670   16.9430   16.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3130   15.5200   16.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  1  0
  4  2  1  0
  5  4  2  0
  6  5  1  0
  7  6  2  0
  8  7  1  0
  9  8  2  0
 10  9  1  0
 11 10  2  0
 12 11  1  0
 13 12  2  0
 13  8  1  0
 13  4  1  0
 14  6  1  0
 15 14  1  0
 16 15  1  0
 17 16  1  0
 18 14  1  0
 18 17  1  0
M  END
$$$$
