91E
  CCTOOLS-0919241036

 58 60  0  0  0  0  0  0  0  0999 V2000
    6.5800   -0.7280   -2.5070 C   0  0  0  0  0
    6.9080    0.2310   -1.3910 C   0  0  0  0  0
    8.1100    0.9120   -1.3970 C   0  0  0  0  0
    8.4130    1.7920   -0.3750 C   0  0  0  0  0
    7.5150    1.9930    0.6570 C   0  0  0  0  0
    6.3110    1.3150    0.6700 C   0  0  0  0  0
    5.1840    1.5680    1.9650 CL  0  0  0  0  0
    6.0010    0.4350   -0.3600 C   0  0  0  0  0
    4.7830   -0.2540   -0.3510 N   0  0  0  0  0
    3.6480    0.3890   -0.0120 C   0  0  0  0  0
    3.6720    1.5830    0.2250 O   0  0  0  0  0
    2.3880   -0.3480    0.0720 C   0  0  0  0  0
    2.1690   -2.0690   -0.2350 S   0  0  0  0  0
    1.1700    0.1750    0.4080 C   0  0  0  0  0
    0.1970   -0.7000    0.4100 N   0  0  0  0  0
    0.4990   -1.9290    0.1020 C   0  0  0  0  0
   -0.4030   -2.9720    0.0550 N   0  0  0  0  0
   -1.7680   -2.7230    0.2180 C   0  0  0  0  0
   -2.2920   -1.4830   -0.1150 C   0  0  0  0  0
   -2.6030   -3.7210    0.7100 C   0  0  0  0  0
   -3.9540   -3.4800    0.8730 C   0  0  0  0  0
   -4.4840   -2.2470    0.5500 C   0  0  0  0  0
   -3.6550   -1.2400    0.0510 C   0  0  0  0  0
   -4.2220    0.0790   -0.3030 C   0  0  0  0  0
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   -5.5400    0.3120   -0.1420 N   0  0  0  0  0
   -6.1010    1.6190   -0.4920 C   0  0  0  0  0
   -7.6060    1.6180   -0.2160 C   0  0  0  0  0
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   -7.8530    1.3380    1.2680 C   0  0  0  0  0
   -8.1920    2.9830   -0.5810 C   0  0  0  0  0
   -9.6370    2.9830   -0.3170 N   0  0  0  0  0
    6.9370   -1.7250   -2.2460 H   0  0  0  0  0
    5.5000   -0.7560   -2.6550 H   0  0  0  0  0
    7.0640   -0.3970   -3.4250 H   0  0  0  0  0
    8.8140    0.7570   -2.2010 H   0  0  0  0  0
    9.3530    2.3230   -0.3820 H   0  0  0  0  0
    7.7550    2.6810    1.4550 H   0  0  0  0  0
    4.7560   -1.1940   -0.5900 H   0  0  0  0  0
    1.0240    1.2170    0.6510 H   0  0  0  0  0
   -0.0890   -3.8780   -0.0920 H   0  0  0  0  0
   -1.6470   -0.7080   -0.5000 H   0  0  0  0  0
   -2.1940   -4.6870    0.9640 H   0  0  0  0  0
   -4.5970   -4.2590    1.2540 H   0  0  0  0  0
   -5.5400   -2.0630    0.6790 H   0  0  0  0  0
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   -5.9250    1.8190   -1.5490 H   0  0  0  0  0
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   -8.1020    0.7320   -2.1160 H   0  0  0  0  0
   -7.3740    2.1110    1.8680 H   0  0  0  0  0
   -8.9250    1.3370    1.4640 H   0  0  0  0  0
   -7.4350    0.3650    1.5280 H   0  0  0  0  0
   -7.7130    3.7570    0.0190 H   0  0  0  0  0
   -8.0160    3.1830   -1.6380 H   0  0  0  0  0
  -10.0480    3.8740   -0.5500 H   0  0  0  0  0
  -10.0950    2.2330   -0.8130 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  4 37  1  0  0  0
  5  4  2  0  0  0
  5 38  1  0  0  0
  6  5  1  0  0  0
  7  6  1  0  0  0
  8  6  2  0  0  0
  8  2  1  0  0  0
  9 10  1  0  0  0
  9  8  1  0  0  0
  9 39  1  0  0  0
 10 11  2  0  0  0
 12 10  1  0  0  0
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 14 40  1  0  0  0
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 15 14  1  0  0  0
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 17 18  1  0  0  0
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 18 20  2  0  0  0
 19 23  2  0  0  0
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 20 21  1  0  0  0
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 31 56  1  0  0  0
 32 57  1  0  0  0
 32 58  1  0  0  0
M  END
$$$$
