PUBCHEM-ZINC04096421
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 17 16  0  0  0  0  0  0  0  0999 V2000
    0.0420    1.3970    0.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0640    0.0540   -0.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1950   -0.7750   -0.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7890   -0.9760   -1.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8110   -2.0990   -1.6240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2360   -2.6230   -0.5450 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.6050   -0.2590   -2.4320 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3790   -0.7600    0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5710   -1.5260   -0.9760 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2520    2.3350    0.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1980    2.1260   -0.6530 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9190    1.9060    0.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9890   -1.7570    0.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9690   -0.3050    0.5540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1660   -2.4090   -2.8050 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0300   -0.6740    1.0980 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0990    3.2910    0.9770 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  5 15  2  0  0  0  0
  8  9  1  0  0  0  0
  8 16  2  0  0  0  0
 10 11  1  0  0  0  0
 10 17  2  0  0  0  0
M  CHG  1   6  -1
M  CHG  1   9  -1
M  CHG  1  11  -1
M  END