PUBCHEM-ZINC03160586
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 18 18  0  0  0  0  0  0  0  0999 V2000
   -0.0030    1.3030    0.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0180   -0.0840   -0.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2610   -0.7290   -0.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4460    0.0110   -0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4490    1.3920    0.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2010    2.0130    0.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1020    3.4350    0.4310 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.0660    4.1560   -0.5750 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0530    3.8180    1.6060 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.0710    2.3760    0.2840 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6860   -0.7190   -0.1960 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.1590   -1.1730    0.8530 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1710   -0.8370   -1.3280 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.2700   -0.8660   -0.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500   -0.2070   -0.1530 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9620    1.8170    0.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2920   -1.8070   -0.3790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1630   -2.1160   -0.4410 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 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  1  0  0  0  0
 14 18  2  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  CHG  1  15  -1
M  END