MD5
  CCTOOLS-0919241034

 34 34  0  0  1  0  0  0  0  0999 V2000
    3.7130    2.1210    0.0870 C   0  0  0  0  0
    2.9630   -0.1850    0.1980 N   0  0  0  0  0
    3.5860    3.4260   -0.2000 O   0  0  0  0  0
    2.5790    1.1710   -0.2020 C   0  0  0  0  0
    1.3400    1.6030    0.5860 C   0  0  0  0  0
    4.0530   -2.3480   -0.2430 C   0  0  0  0  0
    3.6610   -0.9650   -0.6510 C   0  0  0  0  0
    3.9710   -0.5440   -1.7460 O   0  0  0  0  0
    4.7500   -3.1270   -1.0910 O   0  0  0  0  0
    3.7440   -2.7680    0.8510 O   0  0  0  0  0
   -0.0250    0.4610    0.2380 S   0  0  0  0  0
   -1.3800    1.1260    1.2440 C   0  0  0  0  0
   -2.6080    0.2720    1.0620 C   0  0  0  0  0
   -2.8280   -0.8090    1.8960 C   0  0  0  0  0
   -3.9550   -1.5930    1.7280 C   0  0  0  0  0
   -4.8610   -1.2960    0.7280 C   0  0  0  0  0
   -4.6410   -0.2150   -0.1060 C   0  0  0  0  0
   -3.5170    0.5720    0.0640 C   0  0  0  0  0
   -5.6110    0.1020   -1.1780 N   0  3  0  0  0
   -6.6030   -0.5890   -1.3250 O   0  0  0  0  0
   -5.4170    1.0550   -1.9120 O   0  5  0  0  0
    4.7400    1.7060    0.5710 O   0  0  0  0  0
    2.7160   -0.5210    1.0730 H   0  0  0  0  0
    4.3400    3.9960    0.0030 H   0  0  0  0  0
    2.3550    1.1860   -1.2680 H   0  0  0  0  0
    1.5640    1.5890    1.6520 H   0  0  0  0  0
    1.0540    2.6120    0.2880 H   0  0  0  0  0
    4.9810   -4.0140   -0.7830 H   0  0  0  0  0
   -1.0880    1.1230    2.2950 H   0  0  0  0  0
   -1.5980    2.1470    0.9310 H   0  0  0  0  0
   -2.1200   -1.0410    2.6780 H   0  0  0  0  0
   -4.1260   -2.4370    2.3790 H   0  0  0  0  0
   -5.7400   -1.9090    0.5970 H   0  0  0  0  0
   -3.3470    1.4180   -0.5840 H   0  0  0  0  0
  1  4  1  0  0  0
  2  7  1  0  0  0
  2 23  1  0  0  0
  3  1  1  0  0  0
  3 24  1  0  0  0
  4  2  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  5 11  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  6  9  1  0  0  0
  7  6  1  0  0  0
  7  8  2  0  0  0
  9 28  1  0  0  0
 10  6  2  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 31  1  0  0  0
 15 16  2  0  0  0
 15 32  1  0  0  0
 16 33  1  0  0  0
 17 16  1  0  0  0
 17 19  1  0  0  0
 18 17  2  0  0  0
 18 34  1  0  0  0
 19 20  2  0  0  0
 21 19  1  0  0  0
 22  1  2  0  0  0
M  CHG  1  19   1
M  CHG  1  21  -1
M  END
$$$$
