PUBCHEM-ZINC03874750
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 20  0  0  1  0  0  0  0  0999 V2000
   -0.1230    1.3260   -0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0740   -0.1740   -0.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3970   -0.4280   -0.8290 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2210   -0.9800   -1.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9820    0.9160   -1.1120 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2890    1.8790   -0.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1060    1.0000   -1.5890 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.9420    1.9780   -1.4700 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5770    2.9910   -0.5760 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4470    0.0450   -2.3750 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2950   -1.2690    0.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1540   -0.6360    0.8150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6850    1.5820   -1.0940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750    1.7170    0.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0990   -0.4890    0.9400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7580   -0.6960   -0.5940 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2410    2.8830   -0.7060 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7300    1.9300    0.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0270   -2.5080    0.1420 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.3870    3.5290   -0.5440 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 20  1  0  0  0  0
 11 12  2  0  0  0  0
 11 19  1  0  0  0  0
M  CHG  1   7   1
M  CHG  1  10  -1
M  CHG  1  19  -1
M  END