PUBCHEM-ZINC05331263
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 18 18  0  0  0  0  0  0  0  0999 V2000
   -0.0200    1.3740   -0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0050   -0.0090   -0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140   -0.6820   -0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    0.0250   -0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3780    1.4140    0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1630    2.0870    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1360    3.5670    0.0080 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0760    4.1570    0.1160 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750    4.1960   -0.0940 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.5770    2.1330    0.0120 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6920   -0.6960    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7120   -1.9110    0.0820 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7370   -0.0740   -0.0810 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.6170   -0.9810   -0.0250 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9640    1.8970   -0.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2300   -1.7620   -0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3500    1.7930   -0.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6360    2.9710    0.4970 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 15  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 16  1  0  0  0  0
  4  5  2  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  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 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  CHG  1   7   1
M  CHG  1   9  -1
M  CHG  1  11   1
M  CHG  1  13  -1
M  END