NCID-ZINC01664640
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 21 20  0  0  0  0  0  0  0  0999 V2000
    0.1140    1.5340   -0.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470    0.0320   -0.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6670   -0.5960   -1.2100 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6780   -1.9550   -1.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2120   -2.6310   -0.2580 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2910   -2.4280   -2.2860 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4710   -3.8420   -2.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2310   -4.0570   -3.8430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4510   -5.5300   -4.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9730   -6.3680   -3.3620 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1540    1.8640   -0.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3970    1.8240   -1.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3490    2.0590    0.5610 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5800   -0.2450    0.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9990   -0.2860   -0.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6230   -1.7380   -2.9460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0010   -4.2780   -1.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -4.3000   -2.5910 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6890   -3.5950   -4.6780 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2110   -3.5670   -3.7860 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0990   -5.7260   -5.2410 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  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  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