NCID-ZINC01682454
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 21 20  0  0  1  0  0  0  0  0999 V2000
    0.8090    0.6580    0.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1150   -0.0020    0.0600 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5090   -0.4550   -1.1680 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1170    0.3540   -1.5920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6120   -0.8840   -2.1170 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2940   -1.5870   -2.8950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1740    0.3510   -2.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2830    0.8360   -2.6330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2590    0.8330   -3.7160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6880    1.9890   -4.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6460   -1.5240   -1.3580 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3890   -1.7100   -0.9880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2520   -2.3670    0.0810 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6280   -0.0040    1.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2060    1.5530    0.4300 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2740    0.9660    1.8200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750    1.7590   -5.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8880    2.8160   -3.7480 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1180    2.2870   -5.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5890   -1.0970   -0.4750 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1790   -1.9220   -1.9570 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  2  0  0  0  0
 12 21  1  0  0  0  0
M  CHG  1  21  -1
M  END