ACROSORGANICS-ZINC00056845
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 17 17  0  0  0  0  0  0  0  0999 V2000
   -0.0170    1.3790    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020   -0.0040    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2050   -0.6810   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4050    0.0350   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3780    1.4310   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1680    2.0940    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1380    3.5740    0.0100 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0700    4.1610    0.0240 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1790    4.2040    0.0040 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6970   -0.6810   -0.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7170   -1.8960   -0.0430 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2290   -2.5720   -0.0230 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9610    1.9040    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9260   -0.5560    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3010    1.9910   -0.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8520    0.0120   -0.0440 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6710   -0.5000   -0.0540 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 13  1  0  0  0  0
  2  3  2  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  CHG  1   7   1
M  CHG  1   9  -1
M  END