NCID-ZINC01757911
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 16 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3950   -0.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0440    0.0000   -0.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2510   -0.6900   -0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    0.0480    0.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3830    1.4490    0.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    2.1120    0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1390    3.5770    0.0090 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0530    4.1300   -0.2200 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1970    4.1800    0.2410 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.0820   -0.7700    0.6610 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2220   -2.1890   -0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0110   -2.7630   -0.8520 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9500    1.8910   -0.4160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8680   -0.5670   -0.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2950    2.0080    0.4490 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3720   -2.7510    0.7160 O   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 11  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
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
M  CHG  1   7   1
M  CHG  1   9  -1
M  CHG  1  12  -1
M  END