HIF
  CCTOOLS-0807261402

 80 87  0  0  1  0  0  0  0  0999 V2000
   28.2320   92.5510   52.2570 FE  0  0  0  0  0
   29.2010   94.3250   51.6720 N   0  0  0  0  0
   29.3640   92.5250   54.0380 N   0  5  0  0  0
   27.3440   90.7200   52.7870 N   0  0  0  0  0
   27.1790   92.5300   50.3930 N   0  5  0  0  0
   28.9680   95.0280   50.5330 C   0  0  0  0  0
   28.0850   94.6080   49.5200 C   0  0  0  0  0
   27.2780   93.4620   49.4170 C   0  0  0  0  0
   30.2770   93.4510   54.4290 C   0  0  0  0  0
   30.5800   94.5920   53.6610 C   0  0  0  0  0
   30.1030   95.0280   52.4080 C   0  0  0  0  0
   27.5370   90.0370   53.9080 C   0  0  0  0  0
   28.4480   90.4170   54.9190 C   0  0  0  0  0
   29.3170   91.5680   54.9980 C   0  0  0  0  0
   26.3150   91.5740   49.9560 C   0  0  0  0  0
   25.9790   90.4390   50.7440 C   0  0  0  0  0
   26.4310   90.0700   52.0010 C   0  0  0  0  0
   29.7280   96.1840   50.5580 C   0  0  0  0  0
   29.7560   97.2530   49.4940 C   0  0  0  0  0
   30.4340   96.1800   51.7300 C   0  0  0  0  0
   31.3860   97.2610   52.1780 C   0  0  0  0  0
   28.6870   98.3280   49.6710 C   0  0  0  0  0
   28.5340   99.2720   48.4810 C   0  0  0  0  0
   29.1030  100.3820   48.5370 O   0  0  0  0  0
   27.8470   98.8860   47.5130 O   0  5  0  0  0
   30.8080   93.0730   55.6430 C   0  0  0  0  0
   31.8630   93.7970   56.4420 C   0  0  0  0  0
   30.2090   91.8950   56.0000 C   0  0  0  0  0
   30.4740   91.0890   57.2470 C   0  0  0  0  0
   31.5400   90.0220   57.0400 C   0  0  0  0  0
   26.6590   88.7910   54.0050 C   0  0  0  0  0
   27.3990   87.4280   54.1390 C   0  0  0  0  0
   28.5270   87.1340   53.1590 C   0  0  0  0  0
   25.5790   88.9440   55.0950 C   0  0  0  0  0
   25.9510   88.8860   52.6550 C   0  0  0  0  0
   25.1360   88.0860   52.2310 O   0  0  0  0  0
   25.8770   91.9030   48.6970 C   0  0  0  0  0
   24.9190   91.1170   47.8390 C   0  0  0  0  0
   26.4830   93.0800   48.3520 C   0  0  0  0  0
   26.3070   93.8330   47.0570 C   0  0  0  0  0
   25.2200   94.9030   47.1040 C   0  0  0  0  0
   25.0970   95.7350   45.8310 C   0  0  0  0  0
   25.8550   96.7200   45.6990 O   0  0  0  0  0
   24.2450   95.3900   44.9850 O   0  5  0  0  0
   28.0080   95.2040   48.7900 H   0  0  0  0  0
   31.2160   95.1680   54.0570 H   0  0  0  0  0
   28.5010   89.8360   55.6600 H   0  0  0  0  0
   25.3540   89.8300   50.3690 H   0  0  0  0  0
   29.6410   96.8380   48.6120 H   0  0  0  0  0
   30.6370   97.6850   49.4760 H   0  0  0  0  0
   31.9180   97.5690   51.4270 H   0  0  0  0  0
   31.9870   96.9200   52.8580 H   0  0  0  0  0
   30.8830   98.0070   52.5420 H   0  0  0  0  0
   28.9040   98.8620   50.4690 H   0  0  0  0  0
   27.8210   97.8880   49.8350 H   0  0  0  0  0
    7.8020   -0.5990   -3.0590 H   0  0  0  0  0
   31.6370   93.7760   57.3860 H   0  0  0  0  0
   31.9220   94.7230   56.1610 H   0  0  0  0  0
   32.7230   93.3670   56.3090 H   0  0  0  0  0
   29.6400   90.6520   57.5340 H   0  0  0  0  0
   30.7560   91.6850   57.9780 H   0  0  0  0  0
   31.6740   89.5290   57.8710 H   0  0  0  0  0
   32.3780   90.4440   56.7750 H   0  0  0  0  0
   31.2530   89.4050   56.3410 H   0  0  0  0  0
   26.7370   86.7090   54.0540 H   0  0  0  0  0
   27.7700   87.3670   55.0450 H   0  0  0  0  0
   28.9030   86.2540   53.3500 H   0  0  0  0  0
   29.2270   87.8070   53.2500 H   0  0  0  0  0
   28.1830   87.1430   52.2460 H   0  0  0  0  0
   25.9920   88.9020   55.9740 H   0  0  0  0  0
   24.9250   88.2300   55.0110 H   0  0  0  0  0
   25.1340   89.8000   54.9910 H   0  0  0  0  0
   24.3450   91.7220   47.3420 H   0  0  0  0  0
   24.3630   90.5500   48.3940 H   0  0  0  0  0
   25.4190   90.5650   47.2160 H   0  0  0  0  0
   26.1000   93.2050   46.3320 H   0  0  0  0  0
   27.1570   94.2610   46.8130 H   0  0  0  0  0
   25.4050   95.5090   47.8580 H   0  0  0  0  0
   24.3540   94.4680   47.2790 H   0  0  0  0  0
    3.7700    2.9570   -7.6020 H   0  0  0  0  0
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
  1  5  1  0  0  0
  2  6  2  0  0  0
  2 11  1  0  0  0
  3  9  1  0  0  0
  3 14  1  0  0  0
  4 12  1  0  0  0
  4 17  2  0  0  0
  5  8  1  0  0  0
  5 15  1  0  0  0
  6  7  1  0  0  0
  6 18  1  0  0  0
  7  8  2  0  0  0
  7 45  1  0  0  0
  8 39  1  0  0  0
  9 10  1  0  0  0
  9 26  2  0  0  0
 10 11  2  0  0  0
 10 46  1  0  0  0
 11 20  1  0  0  0
 12 13  2  0  0  0
 12 31  1  0  0  0
 13 14  1  0  0  0
 13 47  1  0  0  0
 14 28  2  0  0  0
 15 16  2  0  0  0
 15 37  1  0  0  0
 16 17  1  0  0  0
 16 48  1  0  0  0
 17 35  1  0  0  0
 18 19  1  0  0  0
 18 20  2  0  0  0
 19 22  1  0  0  0
 19 49  1  0  0  0
 19 50  1  0  0  0
 20 21  1  0  0  0
 21 51  1  0  0  0
 21 52  1  0  0  0
 21 53  1  0  0  0
 22 23  1  0  0  0
 22 54  1  0  0  0
 22 55  1  0  0  0
 23 24  2  0  0  0
 23 25  1  0  0  0
 25 56  1  0  0  0
 26 27  1  0  0  0
 26 28  1  0  0  0
 27 57  1  0  0  0
 27 58  1  0  0  0
 27 59  1  0  0  0
 28 29  1  0  0  0
 29 30  1  0  0  0
 29 60  1  0  0  0
 29 61  1  0  0  0
 30 62  1  0  0  0
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 31 32  1  0  0  0
 31 34  1  0  0  0
 31 35  1  0  0  0
 32 33  1  0  0  0
 32 65  1  0  0  0
 32 66  1  0  0  0
 33 67  1  0  0  0
 33 68  1  0  0  0
 33 69  1  0  0  0
 34 70  1  0  0  0
 34 71  1  0  0  0
 34 72  1  0  0  0
 35 36  2  0  0  0
 37 38  1  0  0  0
 37 39  2  0  0  0
 38 73  1  0  0  0
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 41 78  1  0  0  0
 41 79  1  0  0  0
 42 43  2  0  0  0
 42 44  1  0  0  0
 44 80  1  0  0  0
M  CHG  1   3  -1
M  CHG  1   5  -1
M  CHG  1  25  -1
M  CHG  1  44  -1
M  END
$$$$
