
     RDKit          3D

 13 13  0  0  0  0  0  0  0  0999 V2000
    9.8790   -5.4960   26.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4790   -4.3410   26.0680 S   0  0  1  0  0  0  0  0  0  0  0  0
    7.1910   -5.0190   26.2290 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4340   -3.4430   27.2120 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4960   -3.4980   24.5920 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7540   -3.0340   24.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5680   -1.8260   23.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8760   -1.0500   23.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9060   -1.4610   22.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1060   -0.7790   22.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2770    0.3180   23.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2420    0.7320   23.9810 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0390    0.0410   23.9830 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 13  1  0
  9 10  1  0
 13 12  2  0
 10 11  2  0
 11 12  1  0
M  END
$$$$

     RDKit          3D

 16 17  0  0  0  0  0  0  0  0999 V2000
    9.5220    5.3850   22.9640 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6910    5.7360   23.8810 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4660    6.3160   24.8740 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0740    5.3880   23.6220 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4920    4.6500   22.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1760    3.3750   22.9180 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2100    2.3170   23.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1390    2.4870   24.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5720    1.3010   24.5250 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2360    0.3380   23.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0300   -1.0620   23.6930 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8800   -1.8120   22.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9290   -1.1860   22.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1280    0.1820   22.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2670    0.9460   23.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7690   -1.8980   21.4040 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7 15  1  0
  8  9  1  0
 15 10  2  0
 15 14  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 16  1  0
M  END
$$$$

     RDKit          3D

 11 11  0  0  0  0  0  0  0  0999 V2000
   10.1640   -0.7840   22.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2630   -0.1570   21.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5870    0.8590   20.9670 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0140   -0.7980   21.1040 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1560   -0.2070   20.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5230   -0.2650   18.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7670    0.2590   17.8050 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6370    0.8610   18.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1890    0.9760   19.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9640    0.4250   20.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5280    0.5220   21.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5 10  1  0
  6  7  1  0
 10  9  2  0
 10 11  1  0
  7  8  2  0
  8  9  1  0
M  END
$$$$

     RDKit          3D

 14 14  0  0  0  0  0  0  0  0999 V2000
   11.6590   -1.5020   21.8060 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3210   -1.6370   23.0350 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0730   -0.5250   23.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2180   -0.6570   23.6840 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4200    0.8490   23.5710 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1700    0.9830   24.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5880    2.2400   24.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2700    3.3430   23.7590 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5120    3.2070   23.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0850    1.9560   23.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5430    4.9880   23.8640 S   0  0  2  0  0  0  0  0  0  0  0  0
   11.5270    6.0050   23.4810 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2430    5.3260   25.2570 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1560    5.0760   22.8630 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 10  1  0
  6  7  1  0
 10  9  2  0
  7  8  2  0
  8  9  1  0
  8 11  1  0
 11 12  2  0
 11 13  2  0
 11 14  1  6
M  END
$$$$

     RDKit          3D

 15 16  0  0  0  0  0  0  0  0999 V2000
    9.9350   -0.5190   25.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1510   -0.4990   24.3140 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4740   -1.6890   23.5780 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6970   -1.6430   22.6890 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6710   -0.5150   22.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9220    0.8320   23.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4770    2.0460   22.7480 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7890    3.2420   22.9510 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5420    3.2030   23.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9850    2.0060   24.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6830    0.7970   23.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6120    4.7160   23.9110 S   0  0  2  0  0  0  0  0  0  0  0  0
   10.1620    4.6860   25.3040 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3350    4.6900   23.1840 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5660    6.0820   23.5380 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2 11  1  0
  3  4  1  0
 11  6  2  0
 11 10  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 12  1  0
 12 13  2  0
 12 14  2  0
 12 15  1  1
M  END
$$$$

     RDKit          3D

 11 11  0  0  0  0  0  0  0  0999 V2000
    8.9400   -0.0330   27.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0630   -0.5050   26.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1320    0.2510   25.7380 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9300   -0.2520   24.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5710   -1.3900   23.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3650   -1.8190   22.8780 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5050   -1.0870   22.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4250   -1.5160   21.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1170   -1.8210   20.5770 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7970    0.0400   23.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0140    0.4250   24.3230 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4 11  1  0
  5  6  1  0
 11 10  2  0
  6  7  2  0
  7  8  1  0
  7 10  1  0
  8  9  3  0
M  END
$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    5.8590    3.5410   30.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0820    2.6750   29.8140 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750   -1.8280   28.1560 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5170    1.3480   30.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9910    0.4280   28.2890 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8910   -1.7080   26.0080 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6200    0.5000   28.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7460    1.6860   28.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5080    2.5200   29.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5110   -0.6910   27.7460 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3620   -0.4870   26.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0160   -1.6150   25.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5820   -2.7550   24.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7190   -2.6420   23.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3150   -1.4200   23.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5520   -1.3130   22.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7390   -0.2970   24.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6020   -0.3790   24.9810 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  4  1  0
  2  9  1  0
  4  7  1  0
  9  8  1  0
  3 10  2  0
 10  5  1  0
 10 11  1  0
  7  5  1  0
  5  8  1  0
  6 11  1  0
  6 12  1  0
 12 13  2  0
 12 18  1  0
 13 14  1  0
 18 17  2  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
M  END
$$$$

     RDKit          3D

 13 14  0  0  0  0  0  0  0  0999 V2000
    9.0650   -4.7370   27.6980 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2630   -5.0400   26.3380 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.5520   -4.5380   25.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4810   -3.0380   25.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7300   -2.7840   24.4990 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6860   -1.6170   24.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0770   -1.2320   23.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9690   -0.1320   24.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2030   -0.0890   23.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2070   -1.2250   22.2850 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.7550   -1.8900   22.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5600   -3.6210   24.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1750   -4.4830   25.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  2 13  1  0
  3  4  1  0
 13 12  1  0
  4  5  1  0
  5  6  1  0
  5 12  1  0
  6  7  1  0
  7  8  1  0
  7 11  2  0
  8  9  2  0
 11 10  1  0
  9 10  1  0
M  END
$$$$

     RDKit          3D

 16 17  0  0  0  0  0  0  0  0999 V2000
    9.3500    0.5820   20.9010 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8190   -0.3940   21.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4750   -1.1740   22.3370 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7480   -0.7020   22.7950 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9040   -1.0710   22.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1270   -0.5950   22.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1750    0.2530   23.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0060    0.6220   24.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7860    0.1450   23.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250   -0.8400   20.8540 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7990   -0.1210   19.8290 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5920    0.4820   20.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9180    1.1640   19.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4700    1.1840   17.8770 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6140    0.5890   17.6110 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2940   -0.0560   18.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2 10  1  0
  3  4  1  0
 10 11  1  0
  4  5  2  0
  4  9  1  0
  5  6  1  0
  9  8  2  0
  6  7  2  0
  7  8  1  0
 11 12  2  0
 11 16  1  0
 12 13  1  0
 16 15  2  0
 13 14  2  0
 14 15  1  0
M  END
$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.0170    1.3310   24.2360 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0520    2.1780   23.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1930    2.3160   22.5030 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3250    1.4190   22.5760 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9940    0.1890   21.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4150    0.3110   20.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4820   -0.4590   19.8050 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8600   -0.3400   18.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2220    0.4740   17.6640 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1900    1.2110   18.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7430    1.1700   19.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9740    3.1250   23.1900 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7790    3.1640   24.0060 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6740    4.6020   24.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6450    4.8530   25.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8170    4.5440   24.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7660    3.1150   23.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4170    2.7610   23.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2 12  1  0
  3  4  1  0
 13 12  1  6
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6 11  1  0
  7  8  1  0
 11 10  2  0
  8  9  2  0
  9 10  1  0
 13 14  1  0
 13 18  1  0
 14 15  1  0
 18 17  1  0
 15 16  1  0
 16 17  1  0
M  END
$$$$

     RDKit          3D

 16 17  0  0  0  0  0  0  0  0999 V2000
    9.3830    0.8760   21.0230 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8150    0.1360   21.7590 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3930   -0.3170   23.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9190   -0.3100   23.0710 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.4420   -1.3750   22.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9510   -1.5510   22.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4350   -1.7070   23.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9210   -0.5420   24.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4050   -0.5680   24.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5350   -0.3690   21.3780 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9680    0.0670   20.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7290    0.6970   20.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2090    1.1130   18.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9450    0.8930   17.8140 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1270    0.2980   17.8450 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6630   -0.1160   18.9630 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2 10  1  0
  4  3  1  1
 10 11  1  0
  4  5  1  0
  4  9  1  0
  5  6  1  0
  9  8  1  0
  6  7  1  0
  7  8  1  0
 11 12  2  0
 11 16  1  0
 12 13  1  0
 16 15  2  0
 13 14  2  0
 14 15  1  0
M  END
$$$$

     RDKit          3D

 13 14  0  0  0  0  0  0  0  0999 V2000
   10.3170    3.0110   22.2490 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5290    1.7710   22.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1930    1.2720   21.1890 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1480    1.1080   23.6100 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8240    1.0110   23.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4350   -0.4970   23.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8030   -1.1880   23.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7260   -0.4540   23.6850 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1510   -0.5360   23.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1570    0.3870   23.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4110    0.1800   22.8360 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2160   -1.2120   21.7920 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.5290   -1.5290   22.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  4  2  1  6
  4  5  1  0
  4  8  1  0
  5  6  1  0
  8  7  1  0
  8  9  1  6
  6  7  1  0
  9 10  1  0
  9 13  2  0
 10 11  2  0
 13 12  1  0
 11 12  1  0
M  END
$$$$

     RDKit          3D

 11 11  0  0  0  0  0  0  0  0999 V2000
    9.5010    5.0330   22.9960 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5900    0.9820   23.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3470    5.0850   25.2990 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3510    1.0470   23.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7070    6.0420   23.5030 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8100    2.3190   24.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4810    3.5080   23.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7250    3.3780   23.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2860    2.1310   22.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3900   -0.7680   22.6610 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.8200    5.0300   23.9710 S   0  0  2  0  0  0  0  0  0  0  0  0
 11  1  1  6
 11  3  2  0
 11  5  2  0
 11  7  1  0
  2  4  2  0
  2  9  1  0
  2 10  1  0
  4  6  1  0
  9  8  2  0
  6  7  2  0
  7  8  1  0
M  END
$$$$

     RDKit          3D

  7  7  0  0  0  0  0  0  0  0999 V2000
    3.7850    2.0230   19.5670 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7510    1.1870   19.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    0.1020   19.9560 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1180   -0.7710   19.5310 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6310   -0.5440   18.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2960    0.4610   17.4430 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3600    1.3160   17.8780 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  7  1  0
  3  4  1  0
  7  6  2  0
  4  5  2  0
  5  6  1  0
M  END
$$$$

     RDKit          3D

 15 16  0  0  0  0  0  0  0  0999 V2000
    9.9560    1.4220   21.3550 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8170    0.4550   21.9630 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3620   -5.9270   25.4100 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6490   -0.6980   22.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2640   -1.8400   22.3260 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9450   -0.5990   23.9390 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5930   -4.0990   25.2400 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8740   -1.7100   24.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5130   -2.9150   24.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1850   -2.9020   23.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9550   -5.4170   24.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9660   -5.9220   23.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5010   -5.7070   24.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3510   -4.8000   26.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7670   -4.2080   26.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  3 13  1  0
  3 14  1  0
 13 12  1  0
 14 15  1  0
  5 10  1  0
  6  8  2  0
 10  9  2  0
  8  9  1  0
  7  9  1  0
  7 11  1  0
  7 15  1  0
 11 12  1  0
M  END
$$$$

     RDKit          3D

 19 21  0  0  0  0  0  0  0  0999 V2000
   13.9130   -1.2590   23.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5110   -0.9700   23.5310 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    1.2550   21.1530 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6150   -1.9330   22.8770 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9240   -0.2280   22.6330 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1650   -1.5840   23.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7830    0.2880   17.8390 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7420    0.7360   23.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7860    1.4690   18.5050 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1970    0.4050   23.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1590    0.1020   21.5780 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3780   -1.0090   20.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5260   -0.4030   19.8320 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7680   -0.4040   18.4910 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8860    0.7470   18.7550 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0720    1.8050   19.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4050    1.4630   20.8980 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5480    0.7300   21.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3230    0.3480   20.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  4  1  0
  2 10  1  0
  4  6  1  0
 10  8  1  0
  3 11  2  0
 11  5  1  0
 11 12  1  0
  6  5  1  0
  5  8  1  0
  7 14  1  0
  7 15  1  0
 14 13  2  0
 15  9  2  0
 15 19  1  0
  9 16  1  0
 16 17  2  0
 12 13  1  0
 13 19  1  0
 19 18  2  0
 17 18  1  0
M  END
$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    8.5420    0.5850   24.9250 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7940    1.3450   24.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2640    2.3450   23.4580 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9260    0.9180   25.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0600   -1.8530   20.5550 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5640    0.9570   23.6730 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8450    0.2990   24.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4250    0.8450   23.8150 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0070    0.9620   23.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8550    0.3860   22.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5210   -0.8490   22.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3580   -1.4190   21.3580 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3630   -1.5210   22.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5270   -0.9460   23.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5720    0.7280   25.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1400    0.2280   24.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3070    0.9270   22.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7020    1.5370   22.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  4  1  0
  2  3  2  0
  2  8  1  0
  4  7  1  0
  8 15  1  0
  8 18  1  0
  7  9  2  0
  7 14  1  0
  5 12  3  0
 12 11  1  0
  6 16  1  0
  6 17  1  0
 16 15  1  0
 17 18  1  0
  9 10  1  0
 14 13  2  0
 10 11  2  0
 11 13  1  0
M  END
$$$$
