J0K
  CCTOOLS-0919241035

 63 70  0  0  0  0  0  0  0  0999 V2000
   17.0980    8.4910   10.4000 N   0  0  0  0  0
   15.9510   10.0470    9.0190 C   0  0  0  0  0
   15.7790   -1.1040   16.1910 N   0  0  0  0  0
   14.7050    8.1260    9.4670 C   0  0  0  0  0
   15.9020    7.6490   10.2860 C   0  0  0  0  0
   15.9880    6.3890   11.0450 C   0  0  0  0  0
   15.8560    0.3340   18.1610 O   0  0  0  0  0
   20.3770    7.1250   12.3850 C   0  0  0  0  0
   20.6090    8.0730   11.1980 C   0  0  0  0  0
   21.4190    7.8050    9.9050 C   0  0  0  0  0
   19.9000    9.3860   11.5430 C   0  0  0  0  0
   19.8870   10.6540   10.6880 C   0  0  0  0  0
   19.2230    9.2290   12.8860 C   0  0  0  0  0
   18.4540   10.2890   13.6460 C   0  0  0  0  0
   20.8680    5.6710   12.5160 C   0  0  0  0  0
   19.5090    7.8610   13.4090 C   0  0  0  0  0
   19.0750    7.3020   14.7340 C   0  0  0  0  0
   18.5600    7.7380   11.5390 IR  0  0  0  0  0
   19.2620    5.9380   10.1130 CL  0  0  0  0  0
   17.0330    9.6250    9.7560 C   0  0  0  0  0
   13.7820    9.7520    8.1020 O   0  0  0  0  0
   14.8010    9.3140    8.8550 C   0  0  0  0  0
   15.2550    0.1980   16.8560 S   0  0  0  0  0
   15.8220    1.4920   15.9620 C   0  0  0  0  0
   13.8140    0.2420   16.7010 O   0  0  0  0  0
   14.9000    2.5770   15.6050 C   0  0  0  0  0
   15.3960    3.6470   14.8860 C   0  0  0  0  0
   17.1940    1.6560   15.5080 C   0  0  0  0  0
   17.5440    2.7520   14.7690 C   0  0  0  0  0
   17.2510    4.9370   12.4740 C   0  0  0  0  0
   17.0510    4.8450   13.7960 C   0  0  0  0  0
   16.6680    3.7180   14.4750 C   0  0  0  0  0
   17.2030    6.1910   11.7700 N   0  0  0  0  0
   15.0090    5.6500   10.9900 O   0  0  0  0  0
   16.0090   11.0130    8.5400 H   0  0  0  0  0
   15.3670   -1.2060   15.2860 H   0  0  0  0  0
   16.7740   -1.0550   16.1010 H   0  0  0  0  0
   13.8110    7.5260    9.3840 H   0  0  0  0  0
   21.3850    8.6950    9.2590 H   0  0  0  0  0
   22.4640    7.5820   10.1670 H   0  0  0  0  0
   20.9840    6.9480    9.3710 H   0  0  0  0  0
   19.2960   11.4320   11.1940 H   0  0  0  0  0
   20.9180   11.0110   10.5460 H   0  0  0  0  0
   19.4380   10.4310    9.7090 H   0  0  0  0  0
   18.0820    9.8660   14.5910 H   0  0  0  0  0
   19.1170   11.1400   13.8610 H   0  0  0  0  0
   17.6040   10.6310   13.0380 H   0  0  0  0  0
   20.5420    5.2590   13.4820 H   0  0  0  0  0
   20.4470    5.0670   11.6990 H   0  0  0  0  0
   21.9660    5.6490   12.4600 H   0  0  0  0  0
   18.4610    8.0460   15.2630 H   0  0  0  0  0
   18.4850    6.3880   14.5710 H   0  0  0  0  0
   19.9620    7.0620   15.3390 H   0  0  0  0  0
   17.8910   10.2790    9.8060 H   0  0  0  0  0
   13.0820    9.1100    8.1110 H   0  0  0  0  0
   13.8610    2.5400   15.8970 H   0  0  0  0  0
   14.7290    4.4610   14.6450 H   0  0  0  0  0
   17.9370    0.9120   15.7550 H   0  0  0  0  0
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   18.2510    4.5200   12.2870 H   0  0  0  0  0
   16.4920    4.2940   12.0050 H   0  0  0  0  0
   18.0040    5.1480   14.2540 H   0  0  0  0  0
   16.2800    5.5950   14.0240 H   0  0  0  0  0
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M  END
$$$$
