PUBCHEM-ZINC05178367
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 16 15  0  0  0  0  0  0  0  0999 V2000
    0.1170    1.1440   -0.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750   -0.1970   -0.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0550   -1.0980   -0.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1710   -0.5360   -0.5230 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2530    2.0420   -0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2080    3.3860    0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0320    4.3700    0.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0890    3.9450    0.4650 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.6760    1.4420   -0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2270    1.3520    1.1240 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8620    1.6170   -0.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1290   -0.7140   -0.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1640    3.9130    0.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7960   -2.3370   -0.2650 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3520    5.5460   -0.2760 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1540    1.1390   -1.1500 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  2  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  2  0  0  0  0
  9 10  1  0  0  0  0
  9 16  2  0  0  0  0
M  CHG  1   4  -1
M  CHG  1   8  -1
M  CHG  1  10  -1
M  END