79K
  CCTOOLS-0919241027

 51 53  0  0  0  0  0  0  0  0999 V2000
    0.6690    0.6160    3.1460 O   0  0  0  0  0
    0.2870    2.8030    1.9970 O   0  0  0  0  0
   -1.2560    0.2190   -2.3350 O   0  0  0  0  0
    6.4710    1.6650   -1.0770 C   0  0  0  0  0
    5.4800    0.5300   -1.3390 C   0  0  0  0  0
    5.1080    0.5090   -2.8230 C   0  0  0  0  0
    6.1210   -0.8060   -0.9560 C   0  0  0  0  0
    4.2380    0.7470   -0.5130 C   0  0  0  0  0
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    2.3470    2.0930    0.0740 C   0  0  0  0  0
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    2.7140   -0.0020    1.1750 C   0  0  0  0  0
    3.8490   -0.2040    0.4130 C   0  0  0  0  0
   -0.7550   -0.6140    0.8260 C   0  0  0  0  0
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   -3.9120    0.2000    0.0930 C   0  0  0  0  0
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   -5.6890    1.5600   -0.6210 N   0  3  0  0  0
   -6.9680    2.1180   -0.3790 O   0  5  0  0  0
    0.5110    1.4000    1.9710 S   0  0  0  0  0
   -0.7380   -5.0190   -0.1660 CL  0  0  0  0  0
    7.3690    1.5080   -1.6750 H   0  0  0  0  0
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    6.7360    1.6800   -0.0200 H   0  0  0  0  0
    6.0060    0.3520   -3.4210 H   0  0  0  0  0
    4.4010   -0.3000   -3.0090 H   0  0  0  0  0
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    5.4140   -1.6150   -1.1420 H   0  0  0  0  0
    7.0190   -0.9620   -1.5530 H   0  0  0  0  0
    3.7870    2.6340   -1.4100 H   0  0  0  0  0
    1.7590    2.9890   -0.0600 H   0  0  0  0  0
    2.4120   -0.7420    1.9010 H   0  0  0  0  0
    4.4370   -1.1000    0.5460 H   0  0  0  0  0
    0.2030   -1.1950    2.6540 H   0  0  0  0  0
    0.2080   -3.5880    2.1040 H   0  0  0  0  0
   -1.7040   -2.7800   -1.6220 H   0  0  0  0  0
   -3.3200    1.5690   -2.9510 H   0  0  0  0  0
   -5.5450    2.5010   -2.4670 H   0  0  0  0  0
   -5.7020    0.5510    1.1950 H   0  0  0  0  0
   -3.4820   -0.4500    0.8400 H   0  0  0  0  0
   -1.5020    1.2980    0.8630 H   0  0  0  0  0
  3 20  2  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  7  1  0  0  0
  6  5  1  0  0  0
  6 34  1  0  0  0
  6 35  1  0  0  0
  6 36  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  7 39  1  0  0  0
  8  9  1  0  0  0
  8  5  1  0  0  0
  9 40  1  0  0  0
 10  9  2  0  0  0
 10 41  1  0  0  0
 11 10  1  0  0  0
 12 11  2  0  0  0
 12 13  1  0  0  0
 12 42  1  0  0  0
 13  8  2  0  0  0
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 15 44  1  0  0  0
 16 15  2  0  0  0
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 17 16  1  0  0  0
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 19 14  2  0  0  0
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 20 19  1  0  0  0
 21 25  2  0  0  0
 22 23  2  0  0  0
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 22 47  1  0  0  0
 23 27  1  0  0  0
 23 48  1  0  0  0
 24 49  1  0  0  0
 25 24  1  0  0  0
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 26 29  1  0  0  0
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 27 24  2  0  0  0
 29 11  1  0  0  0
 29  2  2  0  0  0
 29  1  2  0  0  0
 30 17  1  0  0  0
M  CHG  1  27   1
M  CHG  1  28  -1
M  END
$$$$
