9NG
  CCTOOLS-0919241038

 57 62  0  0  0  0  0  0  0  0999 V2000
   -0.8120   -0.0010    0.9310 C   0  0  0  0  0
   -0.3880   -1.4360    0.7370 C   0  0  0  0  0
    0.8500   -1.5600    1.3560 C   0  0  0  0  0
   -4.9090    1.9480   -0.6640 C   0  0  0  0  0
   -0.9750    0.6930   -0.4180 C   0  0  0  0  0
    2.4900   -0.1340    2.6410 C   0  0  0  0  0
    1.4920   -2.7960    1.3370 C   0  0  0  0  0
    5.5410    1.0690   -0.1040 C   0  0  0  0  0
   -1.3410    2.1640   -0.1940 C   0  0  0  0  0
   -5.8540    1.1860   -0.1130 C   0  0  0  0  0
   -6.5450    0.3800   -1.0020 C   0  0  0  0  0
   -1.1300   -5.2200   -0.7640 BR  0  0  0  0  0
   -0.3290   -3.7380    0.0950 C   0  0  0  0  0
    0.9030   -3.8740    0.7100 C   0  0  0  0  0
    1.2350   -0.3400    1.9150 N   0  0  0  0  0
    3.5660    0.2900    1.6740 C   0  0  0  0  0
    3.7640    1.6340    1.4110 C   0  0  0  0  0
    4.7470    2.0280    0.5260 C   0  0  0  0  0
    5.3350   -0.2840    0.1660 C   0  0  0  0  0
    4.3490   -0.6660    1.0520 C   0  0  0  0  0
    6.5930    1.4860   -1.0580 C   0  0  0  0  0
    7.4330    0.6680   -1.7390 N   0  0  0  0  0
    8.2390    1.5250   -2.5090 N   0  0  0  0  0
    7.8530    2.7280   -2.2550 N   0  0  0  0  0
    6.8850    2.7200   -1.4110 N   0  0  0  0  0
    0.3190    0.6240    1.7110 C   0  0  0  0  0
    0.3890    1.7760    2.0830 O   0  0  0  0  0
   -2.5220    2.2280    0.6780 N   0  0  0  0  0
   -2.4850    1.5320    1.9720 C   0  0  0  0  0
   -2.1100    0.0660    1.7310 C   0  0  0  0  0
   -3.8700    3.0700    0.2120 S   0  0  0  0  0
   -3.4330    4.0350   -0.7350 O   0  0  0  0  0
   -4.5630    3.4100    1.4050 O   0  0  0  0  0
   -6.1600    0.4870   -2.2740 C   0  0  0  0  0
   -4.8510    1.6560   -2.3980 S   0  0  0  0  0
   -0.9750   -2.5130    0.1110 C   0  0  0  0  0
   -0.0380    0.6330   -0.9730 H   0  0  0  0  0
   -1.7660    0.2040   -0.9860 H   0  0  0  0  0
    2.3520    0.6420    3.3940 H   0  0  0  0  0
    2.7860   -1.0630    3.1280 H   0  0  0  0  0
    2.4550   -2.9110    1.8140 H   0  0  0  0  0
   -0.5070    2.6800    0.2820 H   0  0  0  0  0
   -1.5680    2.6340   -1.1510 H   0  0  0  0  0
   -6.0650    1.1960    0.9460 H   0  0  0  0  0
   -7.3360   -0.2860   -0.6880 H   0  0  0  0  0
    1.4060   -4.8300    0.6980 H   0  0  0  0  0
    3.1490    2.3750    1.8980 H   0  0  0  0  0
    4.9020    3.0780    0.3220 H   0  0  0  0  0
    5.9460   -1.0310   -0.3190 H   0  0  0  0  0
    4.1890   -1.7130    1.2610 H   0  0  0  0  0
    7.4700   -0.3010   -1.7020 H   0  0  0  0  0
   -1.7400    1.9990    2.6160 H   0  0  0  0  0
   -3.4660    1.5860    2.4440 H   0  0  0  0  0
   -2.9070   -0.4260    1.1730 H   0  0  0  0  0
   -1.9730   -0.4360    2.6880 H   0  0  0  0  0
   -6.5840   -0.0620   -3.1020 H   0  0  0  0  0
   -1.9370   -2.4020   -0.3670 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 30  1  0  0  0
  2  3  2  0  0  0
  2 36  1  0  0  0
  3  7  1  0  0  0
  3 15  1  0  0  0
  4 10  2  0  0  0
  4 31  1  0  0  0
  4 35  1  0  0  0
  5  9  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  5  1  1  0  0  0
  6 15  1  0  0  0
  6 16  1  0  0  0
  6 39  1  0  0  0
  6 40  1  0  0  0
  7 14  2  0  0  0
  7 41  1  0  0  0
  8 18  2  0  0  0
  8 19  1  0  0  0
  8 21  1  0  0  0
  9 28  1  0  0  0
  9 42  1  0  0  0
  9 43  1  0  0  0
 10 11  1  0  0  0
 10 44  1  0  0  0
 11 34  2  0  0  0
 11 45  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
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 14 46  1  0  0  0
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 19 20  2  0  0  0
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 21 22  1  0  0  0
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 23 24  2  0  0  0
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 28 29  1  0  0  0
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 29 30  1  0  0  0
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 30 54  1  0  0  0
 30 55  1  0  0  0
 31 32  2  0  0  0
 31 33  2  0  0  0
 34 35  1  0  0  0
 34 56  1  0  0  0
 36 57  1  0  0  0
M  END
$$$$
