PUBCHEM-ZINC05858672
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 21 20  0  0  0  0  0  0  0  0999 V2000
   -0.1040    1.3300    0.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0070   -0.1680   -0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7170   -0.4090   -1.2310 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -1.7960   -1.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250   -2.0830   -2.7850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0920   -1.2120   -3.5140 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7400   -3.4320   -3.0370 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290   -3.9940   -4.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3850   -5.5360   -4.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7690   -6.0400   -3.2090 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8940    1.7760    0.2450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6110    1.8060   -0.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6550    1.5620    1.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5150   -0.6280    0.8170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0120   -0.5980   -0.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3830   -2.2800   -0.6710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1450   -2.2470   -1.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480   -4.1500   -2.4260 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9470   -3.6040   -5.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4670   -3.6480   -4.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9610   -6.0950   -5.1720 O   0  5  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 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  2  0  0  0  0
  9 21  1  0  0  0  0
M  CHG  1  21  -1
M  END