PUBCHEM-ZINC02567711
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 19 19  0  0  1  0  0  0  0  0999 V2000
    0.0130    1.2810    0.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2050   -0.1990   -0.0360 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1200   -0.8340    0.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4130    0.7380   -0.0410 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0320    0.6760    0.8530 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1330    1.1290   -1.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4710    1.1370   -2.3670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4030   -0.9130   -1.2260 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1540   -1.8420   -1.3930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9010   -1.2760   -0.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6910   -0.6110   -1.6800 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4430    1.8800   -0.5950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2430    1.6130    1.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3630    1.4150   -1.1640 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.1160   -2.1560   -0.0610 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.3530   -0.1870   -2.5400 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.2620   -0.8090   -3.3400 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4600    0.5230   -2.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2700    0.2910   -2.6060 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  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  4  1  0  0  0  0
  2  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  CHG  1  14  -1
M  CHG  1  15  -1
M  CHG  1  16   1
M  END