
     RDKit          3D

 15 16  0  0  0  0  0  0  0  0999 V2000
   18.6370   11.5460   19.0470 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   19.3410   11.4910   20.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1300   12.5410   21.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1120   10.3920   20.9640 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7080   12.5060   22.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6710   10.3800   22.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4820   11.4070   23.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4530    9.4460   22.7560 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.7320    9.9040   23.9840 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1510   11.1000   24.2190 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.5310    9.1910   24.8790 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.2170   11.9110   25.4550 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4620   11.2450   26.6090 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0350   11.5770   27.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9480   12.9640   28.2400 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  2  0
  4  2  1  0
  5  3  1  0
  6  4  2  0
  7  6  1  0
  7  5  2  0
  8  6  1  0
  9  8  2  0
 10  9  1  0
 10  7  1  0
 11  9  1  0
 12 10  1  0
 13 12  1  0
 14 13  1  0
 15 14  1  0
M  END
$$$$

     RDKit          3D

 16 18  0  0  0  0  0  0  0  0999 V2000
   20.6710   12.3670   19.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3560   11.0080   19.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7970   10.1550   20.5260 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5490   10.6510   21.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8550   12.0130   21.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4090   12.8650   20.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2040   13.2140   18.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9460   13.0790   18.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8500   14.9600   16.8550 S   0  0  0  0  0  0  0  0  0  0  0  0
   20.8860   14.2450   18.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5460   13.9340   17.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9520    9.8170   22.5630 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.6670   10.2610   23.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0100   11.6160   23.7210 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5970   12.5050   22.7210 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0640    9.3990   24.5550 N   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  1  1  0
  6  5  2  0
  7  1  1  0
  8  7  1  0
 10  9  1  0
 10  7  2  0
 11  9  1  0
 11  8  2  0
 12  4  1  0
 13 12  2  0
 14 13  1  0
 15  5  1  0
 15 14  2  0
 16 13  1  0
M  END
$$$$

     RDKit          3D

 14 16  0  0  0  0  0  0  0  0999 V2000
   22.5850   11.1260   22.4670 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.4650   13.2910   21.5170 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.5180   12.9300   23.6420 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1760   11.1930   21.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7650    9.4680   24.1810 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.1720   12.5670   22.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3450   10.2690   22.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5010   10.6150   23.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0740   12.4520   20.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7590   10.2030   20.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3310    9.5780   23.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5150   12.7690   19.3280 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2170   10.4950   19.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1050   11.7710   18.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0
  6  3  2  0
  6  2  1  0
  6  1  1  0
  1  7  1  6
  8  5  1  0
  8  1  1  0
  9  4  2  0
  9  2  1  0
 10  4  1  0
 11  7  1  0
 11  5  1  0
 12  9  1  0
 13 10  2  0
 14 13  1  0
 14 12  2  0
M  END
$$$$

     RDKit          3D

 18 20  0  0  0  0  0  0  0  0999 V2000
   23.0640   11.1570   21.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4100   11.1460   22.4090 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.7250   10.1530   20.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1600   10.2940   22.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2690   10.4280   19.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5300   12.6970   19.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1960    9.6620   23.8710 C   0  0  2  0  0  0  0  0  0  0  0  0
   24.1850   11.6950   18.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4560   10.4360   24.9320 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6380    9.6050   24.2420 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.1900   10.7600   24.5760 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9280   10.7000   26.0230 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3740   10.6570   23.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0160   12.5960   22.5760 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3890   13.0490   23.5280 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3330   13.2670   21.4050 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.9950   12.4010   20.5240 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6260   11.5710   25.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  1  2  0
  2  4  1  6
  5  3  1  0
  7  4  1  0
  8  5  2  0
  8  6  1  0
  7  9  1  1
 10  7  1  0
 11  9  1  0
 12  9  2  0
 13 10  1  0
 13  2  1  0
 14  2  1  0
 15 14  2  0
 16 14  1  0
 17 16  1  0
 17  6  2  0
 17  1  1  0
 18 11  1  0
M  END
$$$$

     RDKit          3D

 18 20  0  0  0  0  0  0  0  0999 V2000
   22.3040   13.8190   23.2020 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.1100   12.5920   23.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6750    9.8630   22.7290 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.3470   12.1200   21.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6540   11.6650   23.9910 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.1410   10.7430   21.8240 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9440    9.3390   24.6410 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.4280   10.2710   23.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4620   12.1740   25.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3110   10.2350   20.6900 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.9600   10.1290   19.2970 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.4150   10.4540   19.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8520   11.5900   18.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2190   11.8770   18.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1550   11.0300   19.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7320    9.8880   19.7220 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3660    9.6010   19.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0560   11.3180   19.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  4  2  1  0
  5  2  1  0
  6  3  1  0
  6  4  2  0
  8  3  2  0
  8  7  1  0
  8  5  1  0
  9  5  1  0
 10  6  1  1
 11 10  1  0
 11 12  1  1
 13 12  2  0
 14 13  1  0
 15 14  2  0
 16 15  1  0
 17 16  2  0
 17 12  1  0
 18 11  1  0
 18 10  1  0
M  END
$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
   21.7710   13.6180   23.3780 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4480    9.9120   20.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9580    9.7750   22.5930 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.4410   10.6590   21.5600 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.8560    9.3660   24.5700 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.4110   10.2380   23.6760 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4690   11.5700   23.9630 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.3020   12.1300   25.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7010   12.4110   23.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7420   11.8240   22.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5740   11.2210   20.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6120   10.1510   20.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8600   10.7440   19.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0870   10.6220   20.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2630   11.1540   19.8110 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2020   11.8150   18.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9830   11.9410   17.9220 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8150   11.4010   18.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  6
  4  3  1  0
  6  5  1  0
  6  3  2  0
  7  6  1  0
  8  7  1  0
  9  1  2  0
  9  7  1  0
 10  4  1  0
 10  9  1  0
 11  4  1  0
 12 11  1  0
 13 12  1  0
 14 13  2  0
 15 14  1  0
 16 15  2  0
 17 16  1  0
 18 13  1  0
 18 17  2  0
M  END
$$$$

     RDKit          3D

 19 21  0  0  0  0  0  0  0  0999 V2000
   22.0940   13.5060   22.6730 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3830    9.5620   20.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1270    9.6730   22.3260 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.4940   10.3980   21.2350 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.6380    9.3820   24.4820 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.3980   10.1870   23.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5000   11.5100   23.6070 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.2840   12.0670   24.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8820   12.3070   22.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9130   11.7030   21.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5070   10.7290   20.1430 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.9330   10.4550   20.6120 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.2540    9.4980   19.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8290   11.4040   19.9200 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8820   11.4350   18.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7300   12.3320   17.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5150   13.2000   18.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4580   13.1710   20.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6130   12.2730   20.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  6
  4  3  1  0
  6  5  1  0
  6  3  2  0
  7  6  1  0
  8  7  1  0
  9  7  1  0
  9  1  2  0
 10  4  1  0
 10  9  1  0
 11  4  1  0
 12 11  1  0
 13 12  1  0
 11 13  1  6
 12 14  1  6
 15 14  2  0
 16 15  1  0
 17 16  2  0
 18 17  1  0
 19 18  2  0
 19 14  1  0
M  END
$$$$

     RDKit          3D

 16 17  0  0  0  0  0  0  0  0999 V2000
   21.3640   10.5720   21.8100 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.5260   10.7940   20.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7650    9.7570   22.9510 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.8520   11.9280   22.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2790    9.8280   21.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8090   10.3570   21.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3130   11.4350   19.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4050   10.1940   23.9570 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0020   12.7140   22.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8880   10.5560   20.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3940   11.6280   18.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6430   11.8420   24.2920 S   0  0  0  0  0  0  0  0  0  0  0  0
   22.9320    9.2680   24.7800 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.6750   11.1950   19.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7040   11.4130   18.2580 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.1050   11.3380   18.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  1  1  0
  4  1  1  0
  1  5  1  6
  6  2  2  0
  7  2  1  0
  8  3  2  0
  9  4  1  0
 10  6  1  0
 11  7  2  0
 12  8  1  0
 12  9  1  0
 13  8  1  0
 14 10  2  0
 14 11  1  0
 15 14  1  0
 16 15  1  0
M  END
$$$$

     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
   21.9670   12.1590   22.5710 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0870    9.7810   22.3570 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.7990   13.3470   22.3700 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7250   10.9910   21.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4050   11.6040   23.7520 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.4510   10.1860   23.5940 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8260    9.3810   24.5860 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.7290   12.3950   24.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2460   10.8230   21.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8630    9.8830   20.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5290    9.7390   19.8610 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5600   10.5330   20.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9210   11.4590   21.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2540   11.6030   21.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6070   11.2230   20.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4200   12.3320   19.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2410   12.5470   18.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2630   11.6640   18.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4610   10.5600   18.9190 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6360   10.3370   20.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0
  4  2  1  0
  4  1  1  0
  5  1  1  0
  6  2  1  0
  6  5  1  0
  7  6  2  0
  8  5  1  0
  4  9  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  4  1  0
 16 15  2  0
 17 16  1  0
 18 17  2  0
 19 18  1  0
 20 19  2  0
 20 15  1  0
M  END
$$$$

     RDKit          3D

  8  8  0  0  0  0  0  0  0  0999 V2000
   43.2120    1.2010   21.1900 N   0  0  0  0  0  0  0  0  0  0  0  0
   42.0970    1.7030   22.0340 C   0  0  2  0  0  0  0  0  0  0  0  0
   41.2120    2.6840   21.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.4260    2.9540   20.0390 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.6930    2.1910   23.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.2130    1.9390   23.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.4930    1.6950   21.7590 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.1570    3.2440   21.9570 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  2  3  1  6
  4  3  2  0
  5  2  1  0
  6  5  1  0
  7  1  1  0
  7  6  1  0
  8  3  1  0
M  END
$$$$
