
     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
   25.8690   10.6750   17.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7660   11.4770   18.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1650   12.4880   17.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1480   13.2570   18.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7300   13.0010   19.6620 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6190   13.8450   20.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3280   11.9670   20.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9000   11.7560   21.6900 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1990   10.4520   22.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3800   10.3250   23.4930 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.7510    9.1510   24.2170 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5930   11.5910   24.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2540   11.3630   25.7760 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.5710   12.5910   26.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1760   12.4110   28.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7810   12.0710   28.1350 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5060   10.8660   27.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8170   11.0700   25.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3600   11.2090   19.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  2  0
  4  3  1  0
  5  4  2  0
  6  5  1  0
  7  5  1  0
  8  7  1  0
  9  8  1  0
 10  9  1  0
 10 11  1  1
 12 10  1  0
 13 12  1  0
 14 13  1  0
 15 14  1  0
 16 15  1  0
 17 16  1  0
 18 17  1  0
 18 13  1  0
 19  7  2  0
 19  2  1  0
M  END
$$$$

     RDKit          3D

 11 12  0  0  0  0  0  0  0  0999 V2000
   22.8090    9.2070   24.2800 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.4710   10.1080   23.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8900    9.6340   22.1960 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.5680   10.5170   21.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7580   11.8790   21.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3130   12.3920   22.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5210   13.7530   22.7260 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0810   14.2110   23.9020 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4470   13.3190   24.8860 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2450   11.9700   24.7110 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6750   11.4850   23.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  2  0
  4  3  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  2  1  0
 11 10  2  0
 11  6  1  0
M  END
$$$$

     RDKit          3D

 11 12  0  0  0  0  0  0  0  0999 V2000
   22.7770    9.1670   24.9740 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.4280   10.0140   24.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6770   11.3690   24.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2930   12.2600   23.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6430   11.7880   22.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2220   12.6270   21.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5740   12.1120   20.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3400   10.7540   19.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7580    9.9010   20.9470 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4090   10.3980   22.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7960    9.5320   23.0070 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  2  0
  4  3  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
 10  5  1  0
 11 10  2  0
 11  2  1  0
M  END
$$$$

     RDKit          3D

 15 16  0  0  0  0  0  0  0  0999 V2000
   22.4510    9.0090   24.4670 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.5180   10.3550   24.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9990   11.2350   24.9790 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.1030   12.5320   24.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7060   13.0330   23.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1940   12.1570   22.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0810   10.8000   22.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5800    9.9040   21.8960 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.5550   10.3020   20.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9570   10.4800   19.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0930   10.2030   20.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3650   10.3660   20.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5090   10.8070   18.8530 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3830   11.0830   18.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1090   10.9240   18.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  2  0
  4  3  1  0
  5  4  2  0
  6  5  1  0
  7  2  1  0
  7  6  2  0
  8  7  1  0
  9  8  1  0
 10  9  1  0
 11 10  2  0
 12 11  1  0
 13 12  2  0
 14 13  1  0
 15 10  1  0
 15 14  2  0
M  END
$$$$

     RDKit          3D

 14 15  0  0  0  0  0  0  0  0999 V2000
   25.2210   12.3240   18.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2950   10.9960   18.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3010   10.4520   19.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2220   11.2280   19.6570 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1370   10.6280   20.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4080   10.7370   21.9940 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4270    9.8630   22.7750 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7420    9.8660   24.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1460    9.4340   24.4920 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.1030   10.3610   23.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8510   10.3500   22.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1570   12.5620   19.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1500   13.1090   18.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1900   12.8500   17.2940 F   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  1  0
  7  6  1  0
  8  7  1  0
  9  8  1  0
 10  9  1  0
 11 10  1  0
 11  6  1  0
 12  4  1  0
 13 12  2  0
 13  1  1  0
 14  1  1  0
M  END
$$$$

     RDKit          3D

 18 20  0  0  0  0  0  0  0  0999 V2000
   22.7740    9.2060   24.7160 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.6730   10.1680   23.8290 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6480   11.5040   24.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5410   12.4950   23.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4360   12.1560   21.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4390   10.8180   21.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3390   10.4160   20.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4770    9.5130   19.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8250   10.1870   19.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0890   11.2540   18.8350 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3260   11.8750   18.8250 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3220   11.4120   19.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6590   11.7950   19.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1750   10.9440   20.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2120   10.0690   21.2490 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.0680   10.3360   20.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8240    9.7170   20.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5470    9.8480   22.5050 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  2  0
  4  3  1  0
  5  4  2  0
  6  5  1  0
  7  6  1  0
  8  7  1  0
  9  8  1  0
 10  9  2  0
 11 10  1  0
 12 11  2  0
 13 12  1  0
 14 13  2  0
 15 14  1  0
 16 15  1  0
 16 12  1  0
 17 16  2  0
 17  9  1  0
 18  6  2  0
 18  2  1  0
M  END
$$$$

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
   22.6900    9.3460   24.4820 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.7870   10.6500   24.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0810   11.5110   25.1640 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.1550   12.8130   24.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9370   13.3140   23.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6290   12.4490   22.5700 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5360   11.0880   22.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2030   10.1450   21.8580 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.9100   10.4610   20.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1110   10.8820   19.6530 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9310   11.3890   18.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0150   11.7690   17.6140 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2920   11.6680   18.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5080   11.1670   19.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4040   10.7800   20.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8870   11.0930   19.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8330   12.0650   19.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0910   11.9730   20.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3740   10.9330   21.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4890    9.9800   21.3850 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.2660   10.0830   20.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  2  0
  4  3  1  0
  5  4  2  0
  6  5  1  0
  7  2  1  0
  7  6  2  0
  8  7  1  0
  9  8  1  0
 10  9  1  0
 11 10  2  0
 12 11  1  0
 13 12  2  0
 14 13  1  0
 15 10  1  0
 15 14  2  0
 16 14  1  0
 17 16  2  0
 18 17  1  0
 19 18  2  0
 20 19  1  0
 21 16  1  0
 21 20  2  0
M  END
$$$$

     RDKit          3D

 11 11  0  0  0  0  0  0  0  0999 V2000
   22.7740   12.1470   21.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7850   10.8240   21.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6560   12.6100   23.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6870    9.8820   22.6510 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.5650   11.6780   24.1480 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.5850   10.3170   23.8760 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4960    9.4180   24.9130 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.9020   10.2670   20.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2600   10.6130   19.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3490   10.0260   18.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6380   13.7910   23.3840 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  1  1  0
  4  2  1  0
  5  3  1  0
  6  4  2  0
  6  5  1  0
  7  6  1  0
  8  2  1  0
  9  8  1  0
 10  9  1  0
 11  3  2  0
M  END
$$$$

     RDKit          3D

 22 25  0  0  0  0  0  0  0  0999 V2000
   24.9160   11.0760   18.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3310   13.0460   22.3540 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.6000   11.5170   18.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6100   11.1450   23.7870 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.7140   11.3770   19.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4280    9.4120   22.3750 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.1210   10.7880   20.4100 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7070    8.9480   24.6890 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.4530   10.3520   20.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3350   10.4940   19.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1050   10.6670   21.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2560   11.7850   22.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7070   13.9200   23.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4360   13.2790   24.8580 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1080   11.9120   24.9130 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5860    9.7850   23.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6480   10.5560   21.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2500    9.4650   20.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9360    9.3320   19.8430 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9950   10.2990   20.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3670   11.3850   20.9630 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6840   11.5160   21.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0
  5  3  1  0
  7  5  2  0
  9  7  1  0
 10  9  2  0
 10  1  1  0
 11  7  1  0
 11  6  1  0
 12 11  1  0
 12  4  1  0
 12  2  2  0
 13  2  1  0
 14 13  1  0
 15 14  1  0
 15  4  1  0
 16  8  1  0
 16  6  2  0
 16  4  1  0
 17 11  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

 17 17  0  0  0  0  0  0  0  0999 V2000
   23.0570   13.6990   19.0590 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   24.3800   11.5110   19.9730 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3810    9.0730   24.4570 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.4910   12.0840   19.3370 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3420   10.7790   23.4160 S   0  0  0  0  0  0  0  0  0  0  0  0
   24.4650   10.2680   20.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7190   11.1360   25.5420 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.3180    9.7250   21.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0710   10.4120   21.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9780   11.6500   20.5700 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1280   12.1890   19.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6060   11.2010   19.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7570   11.6720   20.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5900   10.5000   20.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4190   10.8450   21.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8490    9.8150   21.9440 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5960   10.2440   24.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  0
  6  2  2  0
  8  6  1  0
  9  8  2  0
 10  9  1  0
 11 10  2  0
 11  2  1  0
 11  1  1  0
 12  4  1  0
 13 12  1  0
 14 13  1  0
 15 14  1  0
 16  5  1  0
 16  9  1  0
 17  5  1  0
 17  7  1  0
 17  3  2  0
M  END
$$$$

     RDKit          3D

 16 17  0  0  0  0  0  0  0  0999 V2000
   20.7710   13.9090   17.3950 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   21.5990   12.4190   25.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0370   11.1510   25.4210 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.8530   10.4770   24.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3090    9.2030   24.1450 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.1930   11.0810   23.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7230   12.4090   23.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9220   13.0940   24.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9870   10.3560   21.8360 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3000   10.3030   20.9850 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5580   11.6070   20.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7250   12.3660   20.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9740   13.5980   19.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0570   14.0730   18.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8900   13.3170   18.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6410   12.0820   19.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0
  4  3  1  0
  5  4  1  0
  6  4  2  0
  7  6  1  0
  8  7  2  0
  8  2  1  0
  9  6  1  0
 10  9  1  0
 11 10  1  0
 12 11  2  0
 13 12  1  0
 14 13  2  0
 15  1  1  0
 15 14  1  0
 16 15  2  0
 16 11  1  0
M  END
$$$$

     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
   25.3290   10.4220   19.4450 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   21.8630   10.2850   24.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7910   10.8780   25.7630 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3810   12.4340   23.7140 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2730   11.7550   24.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9910   10.7760   23.6530 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.7520   11.8870   25.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7100    9.3050   24.2610 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.5480   11.5280   26.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3220   13.3140   25.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8570   10.3260   22.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8180   11.0860   21.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5520   12.4460   21.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4570   13.1680   20.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6300   12.5320   19.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9010   11.1800   20.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9980   10.4540   20.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0
  5  4  2  0
  6  5  1  0
  6  2  1  0
  7  3  1  0
  7  5  1  0
  8  2  2  0
  7  9  1  0
 10  7  1  0
 11  6  1  0
 12 11  1  0
 13 12  2  0
 14 13  1  0
 15 14  2  0
 16  1  1  0
 16 15  1  0
 17 16  2  0
 17 12  1  0
M  END
$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
   18.0360   15.1780   25.0870 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   22.1580    9.9560   23.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7380    9.4450   22.3670 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.3070   12.9370   22.1820 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5180   11.7630   22.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0160   11.2920   23.6430 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.2400   10.5640   21.5800 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.6590    9.2240   24.5370 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.0010   10.7000   20.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7110   10.4760   21.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3150   12.0980   24.8270 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0470   12.4840   25.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6470   11.7740   26.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4310   12.1180   27.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6170   13.1760   26.8780 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0220   13.8920   25.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2380   13.5470   25.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3110    9.9210   20.9010 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0210   11.7480   19.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4670   11.0980   20.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0
  5  4  2  0
  6  5  1  0
  6  2  1  0
  7  3  1  0
  7  5  1  0
  8  2  2  0
  9  7  1  0
  7 10  1  6
 11  6  1  0
 12 11  1  0
 13 12  2  0
 14 13  1  0
 15 14  2  0
 16 15  1  0
 16  1  1  0
 17 16  2  0
 17 12  1  0
 20 18  1  0
 20  9  1  0
 20 19  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

 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
$$$$
