A1I97
  CCTOOLS-0410261002

 31 32  0  0  0  0  0  0  0  0999 V2000
   -3.0580   -1.7580   -0.6230 C   0  0  0  0  0
   -5.0560   -0.5980    0.0070 C   0  0  0  0  0
    1.6540    2.7500   -0.6280 C   0  0  0  0  0
    2.1350    1.3400   -0.3980 C   0  0  0  0  0
    3.6960   -0.2190   -0.1170 C   0  0  0  0  0
    5.0950   -0.7660    0.0020 C   0  0  0  0  0
    1.2910    0.2870   -0.2620 C   0  0  0  0  0
   -0.1740    0.3400   -0.3140 C   0  0  0  0  0
   -2.2900   -0.7240   -0.1010 C   0  0  0  0  0
   -4.4370   -1.6920   -0.5670 C   0  0  0  0  0
   -4.2930    0.4330    0.5390 C   0  0  0  0  0
   -2.9100    0.3730    0.4810 C   0  0  0  0  0
    3.4030    1.0250   -0.3170 N   0  0  0  0  0
    5.5160   -0.7310    1.4090 N   0  0  0  0  0
   -0.8950   -0.7890   -0.1620 N   0  0  0  0  0
   -0.7380    1.4030   -0.4940 O   0  0  0  0  0
   -4.9040    1.5080    1.1040 O   0  0  0  0  0
    2.2700   -1.1570   -0.0110 S   0  0  0  0  0
   -2.5760   -2.6120   -1.0760 H   0  0  0  0  0
   -6.1340   -0.5490    0.0490 H   0  0  0  0  0
    1.5080    3.2450    0.3310 H   0  0  0  0  0
    2.3970    3.2960   -1.2100 H   0  0  0  0  0
    0.7110    2.7270   -1.1730 H   0  0  0  0  0
    5.1160   -1.7940   -0.3580 H   0  0  0  0  0
    5.7750   -0.1580   -0.5950 H   0  0  0  0  0
   -5.0320   -2.4960   -0.9740 H   0  0  0  0  0
   -2.3160    1.1780    0.8870 H   0  0  0  0  0
    4.8660   -1.2340    1.9940 H   0  0  0  0  0
    6.4520   -1.0930    1.5150 H   0  0  0  0  0
   -0.4450   -1.6460   -0.0960 H   0  0  0  0  0
   -5.0760    1.4110    2.0500 H   0  0  0  0  0
  1  9  2  0  0  0
  1 19  1  0  0  0
  2 10  2  0  0  0
  2 20  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  4  3  1  0  0  0
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  9 12  1  0  0  0
 10  1  1  0  0  0
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 11  2  1  0  0  0
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 16  8  2  0  0  0
 17 11  1  0  0  0
 17 31  1  0  0  0
 18  5  1  0  0  0
M  END
$$$$
