NXC
  CCTOOLS-1114251030

 67 70  0  0  1  0  0  0  0  0999 V2000
   -4.8030   25.4320   47.0580 CL  0  0  0  0  0
   -3.3470   23.9510   45.9220 PT  0  0  0  0  0
   -2.1120   22.7280   44.9010 C   0  0  0  0  0
   -2.0310   21.3190   45.3590 C   0  0  0  0  0
   -2.9300   21.0270   46.5380 C   0  0  0  0  0
   -3.6740   22.2260   46.9530 N   0  0  0  0  0
   -3.3170   22.5030   48.3500 C   0  0  0  0  0
   -5.1110   21.9240   46.8890 C   0  0  0  0  0
   -1.1690   20.4860   44.6550 C   0  0  0  0  0
   -0.4580   21.0290   43.5890 C   0  0  0  0  0
   -0.5050   22.3470   43.1430 C   0  0  0  0  0
   -1.3320   23.2760   43.7640 C   0  0  0  0  0
   -1.6410   24.7420   43.5640 C   0  0  0  0  0
   -2.6330   25.2480   44.5250 N   0  0  0  0  0
   -3.7970   25.6910   43.7470 C   0  0  0  0  0
   -2.0830   26.4120   45.2320 C   0  0  0  0  0
    0.4670   20.0210   42.9190 C   0  0  0  0  0
   -0.2030   18.8430   42.2490 C   0  0  0  0  0
    0.8730   18.1890   41.3960 C   0  0  0  0  0
    0.3370   16.5850   40.7710 P   0  0  0  0  0
   -0.7900   16.6520   39.5740 O   0  0  0  0  0
   -0.0210   15.3260   41.9490 O   0  0  0  0  0
    0.8160   14.9790   43.0030 C   0  0  0  0  0
   -0.1070   14.4650   44.0810 C   0  0  0  0  0
   -3.6480   20.2440   46.2520 H   0  0  0  0  0
   -2.3120   20.6830   47.3800 H   0  0  0  0  0
   -3.4760   21.5990   48.9560 H   0  0  0  0  0
   -2.2600   22.8010   48.4060 H   0  0  0  0  0
   -3.9480   23.3170   48.7350 H   0  0  0  0  0
   -5.3160   20.9940   47.4400 H   0  0  0  0  0
   -5.6800   22.7500   47.3410 H   0  0  0  0  0
   -5.4130   21.8020   45.8390 H   0  0  0  0  0
   -1.0540   19.4470   44.9280 H   0  0  0  0  0
    0.1070   22.6510   42.3060 H   0  0  0  0  0
   -0.7100   25.3140   43.6920 H   0  0  0  0  0
   -2.0400   24.8780   42.5480 H   0  0  0  0  0
   -4.5680   26.0790   44.4290 H   0  0  0  0  0
   -3.4910   26.4850   43.0500 H   0  0  0  0  0
   -4.2040   24.8410   43.1800 H   0  0  0  0  0
   -2.8250   26.7900   45.9500 H   0  0  0  0  0
   -1.1700   26.1170   45.7700 H   0  0  0  0  0
   -1.8410   27.2020   44.5050 H   0  0  0  0  0
    1.0320   20.5600   42.1440 H   0  0  0  0  0
    1.1320   19.6190   43.6980 H   0  0  0  0  0
   -0.5900   18.1360   42.9980 H   0  0  0  0  0
   -1.0460   19.1770   41.6250 H   0  0  0  0  0
    1.0960   18.8460   40.5420 H   0  0  0  0  0
    1.7750   18.0470   42.0100 H   0  0  0  0  0
    1.5350   14.2050   42.6970 H   0  0  0  0  0
    1.3880   15.8500   43.3560 H   0  0  0  0  0
    0.4840   14.1660   44.9590 H   0  0  0  0  0
   -0.8130   15.2580   44.3670 H   0  0  0  0  0
   -0.6650   13.5960   43.7020 H   0  0  0  0  0
    1.9980   17.0300   40.7710 O   0  0  0  0  0
    3.2370   16.3150   40.7710 C   0  0  0  0  0
    4.5700   17.0850   40.7710 C   0  0  0  0  0
    3.2370   14.7750   40.7710 C   0  0  0  0  0
    4.5700   14.0050   40.7710 C   0  0  0  0  0
    5.9040   14.7750   40.7710 C   0  0  0  0  0
    5.9040   16.3150   40.7710 C   0  0  0  0  0
    7.1770   14.0400   40.7710 N   0  3  0  0  0
    8.4910   14.3920   40.7710 O   0  0  0  0  0
    7.1770   12.6800   40.7710 O   0  5  0  0  0
    4.5700   18.1650   40.7710 H   0  0  0  0  0
    2.3020   14.2350   40.7710 H   0  0  0  0  0
    4.5700   12.9250   40.7710 H   0  0  0  0  0
    6.8390   16.8550   40.7710 H   0  0  0  0  0
  2  6  1  0  0  0
  2  1  1  0  0  0
  3  4  2  0  0  0
  3  2  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  7 27  1  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  8  6  1  0  0  0
  8 30  1  0  0  0
  8 31  1  0  0  0
  8 32  1  0  0  0
  9  4  1  0  0  0
  9 33  1  0  0  0
 10  9  2  0  0  0
 11 10  1  0  0  0
 11 12  2  0  0  0
 11 34  1  0  0  0
 12  3  1  0  0  0
 13 12  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 13 36  1  0  0  0
 14 16  1  0  0  0
 14  2  1  0  0  0
 15 14  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
 16 40  1  0  0  0
 16 41  1  0  0  0
 16 42  1  0  0  0
 17 10  1  0  0  0
 17 43  1  0  0  0
 17 44  1  0  0  0
 18 17  1  0  0  0
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 19 18  1  0  0  0
 19 47  1  0  0  0
 19 48  1  0  0  0
 20 19  1  0  0  0
 20 22  1  0  0  0
 20 54  1  0  0  0
 21 20  2  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
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 55 57  1  0  0  0
 56 55  2  0  0  0
 56 60  1  0  0  0
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 59 60  2  0  0  0
 59 61  1  0  0  0
 60 67  1  0  0  0
 61 62  2  0  0  0
 61 63  1  0  0  0
M  CHG  1  61   1
M  CHG  1  63  -1
M  END
$$$$
