NCID-ZINC04722153
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 20  0  0  0  0  0  0  0  0999 V2000
    0.0400    1.5260   -0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0330    0.0240   -0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0670   -0.6950    1.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0450   -2.0940    1.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0600   -2.8160   -0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1090   -2.0910   -1.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1340   -0.6840   -1.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0450   -2.7700   -2.5140 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.8720   -3.5810   -2.7000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8320   -2.3610   -3.3870 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.1980   -4.3080    0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0170   -4.8160   -0.8080 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.9910    1.9040   -0.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7830    1.9170   -0.6190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0830    1.9160    1.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1450   -0.1730    2.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0940   -2.6310    2.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2600    0.0500   -2.3880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4780   -4.9190    0.8970 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6290   -0.5250   -3.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  CHG  1   8   1
M  CHG  1  10  -1
M  CHG  1  12  -1
M  END