IBS-ZINC02173192
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 19 19  0  0  0  0  0  0  0  0999 V2000
    0.1100    1.4260   -0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0730   -0.0410    0.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0640   -0.8780    1.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0310   -2.2010    0.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0180   -2.0950   -0.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0150   -0.7790   -1.0500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0760   -3.0810   -1.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0800   -3.4500    1.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7020   -4.3780    1.0330 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0490   -0.4340    2.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7940   -0.9690    3.3610 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1090    1.8090    0.1650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1400    1.7180   -1.0880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6080    1.9090    0.6070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0710   -3.5320   -1.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1390   -2.6140   -2.7460 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6580   -3.8780   -1.6230 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9510   -3.5650    2.3430 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8300    0.5270    2.8790 O   0  0  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  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  2  0  0  0  0
 10 11  1  0  0  0  0
 10 19  2  0  0  0  0
M  CHG  1   9  -1
M  CHG  1  11  -1
M  END