IBS-ZINC00501171
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 30 32  0  0  1  0  0  0  0  0999 V2000
   -0.0190    1.5260    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020   -0.0040    0.0020 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7120   -0.4960    1.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5320   -1.5160    2.1080 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8130   -1.2910    0.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3700   -0.4950   -0.0960 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4370   -0.3680   -0.9980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5830    0.3120   -2.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7840    0.2470   -2.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8400   -0.4920   -2.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7080   -1.1720   -1.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4970   -1.1160   -0.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0620   -1.6580    0.6890 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.8560   -2.5190    1.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7840   -0.4810   -1.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6160    0.2280   -1.1490 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.0040    1.9030    0.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5460    1.8870   -0.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5290    1.8770    0.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5830   -1.0960    1.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0030    0.3470    1.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7630    0.8890   -2.5970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9020    0.7760   -3.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7740   -0.5350   -2.9020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5350   -1.7460   -0.7800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3860   -1.9050    2.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5770   -3.0800    0.9740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1960   -3.2130    2.0900 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8160   -1.5700   -1.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2930   -0.1240   -2.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  2  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
M  CHG  1  13   1
M  END