ACROSORGANICS-ZINC00132910
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 17 17  0  0  0  0  0  0  0  0999 V2000
   -0.0990    1.5000    0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0360   -0.0050    0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0890   -0.7010    1.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1460   -2.0820    1.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0780   -2.7680   -0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0480   -2.0710   -1.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1100   -0.6900   -1.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    0.0560   -2.4640 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.9400   -0.3950   -3.3610 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3240    1.1190   -2.6120 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.1560   -4.6570   -0.0320 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8960    1.9070   -0.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7780    1.8420   -0.7630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4590    1.8410    0.9880 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1420   -0.1660    2.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2440   -2.6260    2.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1020   -2.6060   -2.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  CHG  1   8   1
M  CHG  1  10  -1
M  END