NCID-ZINC01766477
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 21 20  0  0  1  0  0  0  0  0999 V2000
    0.0510    1.5460    0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0320    0.0220    0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7230   -0.5630   -1.2260 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7270   -0.1230   -1.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -2.0980   -1.1790 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4710   -2.8550   -1.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5920   -2.5240   -2.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2050   -1.9460   -3.5390 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6590   -2.5290   -0.0650 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0050   -0.1520   -2.3940 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3800   -0.7110   -3.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0770    1.9250   -0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4880    1.9540   -0.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4290    1.9260    0.9240 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5210   -0.3380    0.9250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0150   -0.2990    0.0470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1350   -2.5650   -1.9700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -3.9360   -1.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9960   -2.6920   -0.2020 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3200   -3.1230   -0.5080 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5120   -3.3700   -2.2600 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  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 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  2  0  0  0  0
  7 21  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
M  CHG  1  21  -1
M  END