PUBCHEM-ZINC05113479
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 18 17  0  0  1  0  0  0  0  0999 V2000
   -0.0190    1.5260    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020   -0.0040    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3720   -0.5110    0.0120 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7390   -1.1580   -0.8310 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.1060   -1.8040   -1.6740 N   0  5  0  0  0  0  0  0  0  0  0  0
    1.4170    2.0550    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9540    1.6330   -0.8500 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3970    3.5580   -0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5490    4.2420    0.8680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5460    1.8870   -0.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5290    1.8770    0.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5120   -0.3560   -0.8950 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5290   -0.3650    0.8850 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0590    1.9510    1.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2100    4.1360   -1.3130 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0910    1.6690    1.2460 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6120    2.0490    2.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2050    5.1030   -1.3370 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 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
M  CHG  1   4   1
M  CHG  1   5  -1
M  END