PUBCHEM-ZINC02005583
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 16 16  0  0  0  0  0  0  0  0999 V2000
    0.1450    1.4750    0.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0870    0.0030   -0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5160   -0.7370    1.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7130   -2.0650    1.0340 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4710   -2.6780   -0.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0450   -2.0230   -1.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1630   -0.6610   -1.2260 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.5960   -0.0010   -2.2280 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.1760   -2.7980   -2.5220 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1970   -3.5520   -2.5290 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2110    1.6960   -0.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4180    1.9880   -0.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1800    1.8880    0.9980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7170   -0.2680    2.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6340   -3.7530   -0.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7170   -2.7130   -3.4180 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  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 14  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  2  0  0  0  0
M  CHG  1   7   1
M  CHG  1   8  -1
M  CHG  1  10  -1
M  END