PUBCHEM-ZINC03160586
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 19 19  0  0  0  0  0  0  0  0999 V2000
   -0.0170    1.3920    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
    1.2240   -0.6800   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4040    0.0340   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3780    1.4190   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1700    2.0950    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1510    3.5750    0.0100 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0890    4.1710    0.0230 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1990    4.1970    0.0030 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.0000    2.3910   -0.0220 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7000   -0.6800   -0.0370 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7240   -1.8980   -0.0440 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7420   -0.0510   -0.0440 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.2650   -0.7630    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3260   -0.1720    0.0240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9590    1.9210    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2450   -1.7600   -0.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2430   -2.1100    0.0030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0980   -2.5630    0.0090 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 16  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 17  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
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 18 19  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