PUBCHEM-ZINC06613356
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 20  0  0  1  0  0  0  0  0999 V2000
    0.0380    1.3060    0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0610   -0.0120   -0.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3170   -0.7370   -0.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440   -0.1940    0.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4670    1.1830    0.8470 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4150    1.6680    0.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2890    2.0790    0.3730 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0710    2.8260    1.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6490    2.7810   -0.8200 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320    1.0280    2.2690 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4040   -2.1260   -0.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9080   -2.2010   -2.0840 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.2820   -0.7420   -0.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1110   -0.1350   -1.1780 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9050    1.8460    0.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3760   -0.7520    0.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5660    2.1310   -1.5430 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7440    0.3590    2.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0660   -2.9980   -0.2790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4470   -1.8010    0.2420 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  7  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  2  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  2  0  0  0  0
 13 14  1  0  0  0  0
 13 20  2  0  0  0  0
M  CHG  1  12  -1
M  CHG  1  14  -1
M  END