ABJ
  CCTOOLS-0919241027

 35 37  0  0  0  0  0  0  0  0999 V2000
   47.7740   16.0180   33.0910 C   0  0  0  0  0
   47.0070   16.1070   31.7710 C   0  0  0  0  0
   45.9420   17.1890   31.8980 C   0  0  0  0  0
   46.3810   14.7990   31.4890 N   0  0  0  0  0
   45.2170   14.5430   31.8100 N   0  0  0  0  0
   46.9740   13.7400   30.9120 C   0  0  0  0  0
   48.2030   13.5120   30.4000 N   0  0  0  0  0
   48.5080   12.3460   29.8640 C   0  0  0  0  0
   47.6090   11.3570   29.8080 N   0  0  0  0  0
   46.3690   11.5000   30.2970 C   0  0  0  0  0
   45.5380   10.4800   30.2180 N   0  0  0  0  0
   46.0110   12.7240   30.8680 C   0  0  0  0  0
   44.8850   13.2890   31.4820 C   0  0  0  0  0
   43.6320   12.7050   31.6850 C   0  0  0  0  0
   42.9810   12.8160   32.9220 C   0  0  0  0  0
   42.9730   12.0500   30.6500 C   0  0  0  0  0
   41.7030   11.4930   30.8450 C   0  0  0  0  0
   41.0650   11.5980   32.0730 C   0  0  0  0  0
   41.7060   12.2630   33.1150 C   0  0  0  0  0
   41.0790   12.3530   34.3160 O   0  0  0  0  0
   45.6850   17.3290   32.9580 H   0  0  0  0  0
   46.3280   18.1330   31.4870 H   0  0  0  0  0
   45.0430   16.8860   31.3400 H   0  0  0  0  0
   47.6870   16.3620   30.9440 H   0  0  0  0  0
   48.8550   15.9970   32.8870 H   0  0  0  0  0
   47.5360   16.8930   33.7130 H   0  0  0  0  0
   47.4830   15.1000   33.6230 H   0  0  0  0  0
   49.4990   12.1870   29.4640 H   0  0  0  0  0
   45.3270   10.2950   29.2580 H   0  0  0  0  0
   45.9620    9.6720   30.6280 H   0  0  0  0  0
   43.4670   13.3330   33.7360 H   0  0  0  0  0
   43.4470   11.9700   29.6830 H   0  0  0  0  0
   41.2150   10.9760   30.0320 H   0  0  0  0  0
   40.0840   11.1700   32.2180 H   0  0  0  0  0
   41.7260   12.3740   35.0110 H   0  0  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  1  1  0  0  0
  2  4  1  0  0  0
  2 24  1  0  0  0
  3  2  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  5 13  2  0  0  0
  6  7  1  0  0  0
  6 12  2  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 12  1  0  0  0
 11 29  1  0  0  0
 11 30  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 16  2  0  0  0
 15 19  2  0  0  0
 15 31  1  0  0  0
 16 17  1  0  0  0
 16 32  1  0  0  0
 17 18  2  0  0  0
 17 33  1  0  0  0
 18 19  1  0  0  0
 18 34  1  0  0  0
 19 20  1  0  0  0
 20 35  1  0  0  0
M  END
$$$$
