PUBCHEM-ZINC02024025
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 19 19  0  0  0  0  0  0  0  0999 V2000
   -0.5390    1.4470    0.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2470   -0.0310    0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1270   -0.7000    1.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3950   -2.0560    1.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2880   -2.7420   -0.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0860   -2.0740   -1.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3590   -0.7180   -1.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8770    0.1960   -2.7270 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.5760   -4.1930   -0.0980 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.9060   -4.7820    0.9150 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4830   -4.7980   -1.1520 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.2420    0.0340    2.4700 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.6750    1.1730    2.4820 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0970   -0.4990    3.5110 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3930    2.0050   -0.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2070    1.7130   -0.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0130    1.6920    1.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6870   -2.5780    2.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1680   -2.6100   -2.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  CHG  1   9   1
M  CHG  1  11  -1
M  CHG  1  12   1
M  CHG  1  14  -1
M  END