A1B79
  CCTOOLS-0403261050

 57 59  0  0  0  0  0  0  0  0999 V2000
    2.3170    1.4210   -0.7150 C   0  0  0  0  0
    3.3040    2.3950   -0.5460 C   0  0  0  0  0
    4.2290    2.2620    0.4510 C   0  0  0  0  0
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    0.6510    0.1680   -1.3290 C   0  0  0  0  0
   -0.5510   -0.3340   -2.0880 C   0  0  0  0  0
   -1.8060    0.2150   -1.4610 C   0  0  0  0  0
   -2.3240    1.4210   -1.8960 C   0  0  0  0  0
    1.2910    1.2700   -1.5910 N   0  0  0  0  0
    2.2870    0.3110    0.1460 C   0  0  0  0  0
    4.2000    1.1660    1.3010 C   0  0  0  0  0
   -5.2370    1.7250    0.2610 O   0  0  0  0  0
    3.2350    0.1920    1.1530 C   0  0  0  0  0
    5.3040    4.2620   -0.1180 O   0  0  0  0  0
   -4.1080    1.2270   -0.3070 C   0  0  0  0  0
   -3.5870    0.0170    0.1270 C   0  0  0  0  0
   -2.4390   -0.4870   -0.4520 C   0  0  0  0  0
   -5.8360    0.9510    1.3020 C   0  0  0  0  0
   -7.0870    1.6660    1.8160 C   0  0  0  0  0
    0.7820   -1.7270    0.3300 C   0  0  0  0  0
    1.5050   -2.8880   -0.3550 C   0  0  0  0  0
   -0.3500   -4.4120   -0.0440 C   0  0  0  0  0
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    1.9060   -5.2720   -0.2200 C   0  0  0  0  0
    3.2570   -5.2250    0.4970 C   0  0  0  0  0
   -8.0450    1.7200    0.7970 F   0  0  0  0  0
    1.2180   -0.4610   -0.2640 N   0  0  0  0  0
    5.2720    3.2970    0.6250 N   0  3  0  0  0
    1.0680   -4.1570    0.2420 N   0  0  0  0  0
    6.1000    3.1840    1.5120 O   0  5  0  0  0
    3.3360    3.2520   -1.2030 H   0  0  0  0  0
   -3.8790    2.8690   -1.6640 H   0  0  0  0  0
   -0.4880   -0.0060   -3.1250 H   0  0  0  0  0
   -0.5740   -1.4230   -2.0520 H   0  0  0  0  0
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    3.2160   -0.6590    1.8180 H   0  0  0  0  0
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    1.0180   -1.7290    1.3950 H   0  0  0  0  0
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   -0.6770   -5.2160    1.9280 H   0  0  0  0  0
    2.0630   -5.1880   -1.2950 H   0  0  0  0  0
    1.4090   -6.2160    0.0020 H   0  0  0  0  0
    3.8440   -6.1020    0.2240 H   0  0  0  0  0
    3.7940   -4.3230    0.2030 H   0  0  0  0  0
    3.0960   -5.2170    1.5750 H   0  0  0  0  0
  1 10  1  0  0  0
  2  1  2  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  3 11  2  0  0  0
  4 32  1  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6  5  1  0  0  0
  6 33  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  8  4  2  0  0  0
  8 35  1  0  0  0
  9  5  2  0  0  0
  9  1  1  0  0  0
 10 13  2  0  0  0
 11 13  1  0  0  0
 11 36  1  0  0  0
 12 18  1  0  0  0
 13 37  1  0  0  0
 15  4  1  0  0  0
 15 12  1  0  0  0
 16 15  2  0  0  0
 16 38  1  0  0  0
 17  7  2  0  0  0
 17 16  1  0  0  0
 17 39  1  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 18 41  1  0  0  0
 19 42  1  0  0  0
 19 43  1  0  0  0
 20 21  1  0  0  0
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 21 29  1  0  0  0
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 22 23  1  0  0  0
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 24 25  1  0  0  0
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 26 19  1  0  0  0
 27 10  1  0  0  0
 27 20  1  0  0  0
 28  3  1  0  0  0
 28 14  2  0  0  0
 29 22  1  0  0  0
 30 28  1  0  0  0
M  CHG  1  28   1
M  CHG  1  30  -1
M  END
$$$$
