IBS-ZINC02208191
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 21  0  0  0  0  0  0  0  0999 V2000
    0.1100    1.3990   -0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500    0.0000   -0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2470   -0.6830   -0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4670   -0.0130   -0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5570    1.3600   -0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3530    2.0660   -0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3860    3.9590   -0.0120 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5130   -1.0340   -0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7630   -0.7250   -0.0530 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9410   -1.8500   -0.0660 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7470   -2.6000    1.1710 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7240   -2.5950   -1.3020 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1660   -1.0510   -0.0770 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.7890   -2.3700   -0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2680   -3.4890   -0.0440 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4400   -2.0570   -0.0240 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8160    1.9690    0.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9040   -0.5160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    1.8570   -0.0360 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7130   -2.7580   -0.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 17  1  0  0  0  0
  2  3  2  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 20  1  0  0  0  0
M  CHG  1  13  -1
M  END