IBS-ZINC03881525
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 19 19  0  0  1  0  0  0  0  0999 V2000
    0.0470    1.3730    0.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0010    0.0170   -0.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2320   -0.5270    0.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0280    0.4260    0.6630 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3010    1.5720    0.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020   -1.9080   -0.0800 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9500   -2.6000   -0.1330 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6780   -2.3080    1.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0080   -3.7990    1.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2890   -4.5910    0.5460 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4970   -1.9540   -1.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7070   -2.0160   -2.4550 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7330    2.1130    0.0950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8170   -0.5120   -0.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8090    2.4240    1.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6220   -1.7470    1.1040 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1680   -2.0460    2.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9400   -4.0720    2.0300 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7610   -1.8980   -1.4720 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  1 13  1  0  0  0  0
  2  3  2  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
  9 18  1  0  0  0  0
 11 12  2  0  0  0  0
 11 19  1  0  0  0  0
M  CHG  1  18  -1
M  CHG  1  19  -1
M  END