IBS-ZINC00077609
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 15 15  0  0  0  0  0  0  0  0999 V2000
    0.9200   -0.5120    0.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5280   -0.0650    0.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0860   -0.7790    1.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0010    0.0130    2.7610 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1390    0.1550    3.3140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4460   -0.7270   -0.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9850   -1.8400   -0.4030 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4660   -1.6400   -0.3840 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6370   -2.7670    0.1890 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6290    0.2890    0.5890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6850    1.0070    0.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4080   -1.8110    1.6330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0800    0.5080    3.2250 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.7070   -0.0900   -1.7870 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.8230   -1.3950   -1.5840 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4 13  1  0  0  0  0
  6  7  2  0  0  0  0
  6 14  1  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
M  CHG  1  13  -1
M  CHG  1  14  -1
M  CHG  1  15  -1
M  END