PUBCHEM-ZINC05134847
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 20  0  0  1  0  0  0  0  0999 V2000
    0.0510    1.4540   -0.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0180    0.1040    0.0620 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7180   -0.5900   -0.3520 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4580   -0.3930   -0.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4050    2.0740   -0.2830 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8320    2.6830   -1.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120    2.8830    1.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9210    2.1100    2.0110 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0180    1.2890   -1.7400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8020    2.0900   -0.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8070   -1.0600    0.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6040   -0.8560   -1.0900 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3110    0.8440   -0.0990 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.7790    0.9490    0.8180 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0570    0.8200   -0.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3690    4.1200    0.9630 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.3390    0.2890    1.5000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.2010   -0.5290    2.1040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3010    0.6220    1.6310 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2550    1.0910    1.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  7  8  2  0  0  0  0
  7 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  CHG  1  13   1
M  CHG  1  16  -1
M  CHG  1  17   1
M  END