NCID-ZINC01700833
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 17 17  0  0  0  0  0  0  0  0999 V2000
   -0.0170    1.3750    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
    1.2220   -0.6830   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4160    0.0400   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3840    1.4200   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1700    2.0860    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9990    2.4030   -0.0230 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7140   -0.6710   -0.0370 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.2390   -0.9580   -1.0980 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2580   -0.9690    1.0120 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2500   -2.1600   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3120   -2.7480   -0.0340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9600    1.9010    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250   -0.5580    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    3.1660    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0960   -2.8550   -0.0130 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1640   -3.8200   -0.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  2  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6 15  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  CHG  1   8   1
M  CHG  1  10  -1
M  END