PUBCHEM-ZINC04632603
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 18 17  0  0  1  0  0  0  0  0999 V2000
    0.8340    1.7240    0.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2040    0.4440   -0.0900 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5450    0.2820   -1.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5470   -0.7390    0.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5700   -1.5950    0.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6670   -1.5510   -0.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8110   -0.6400   -1.1360 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6610   -0.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6030   -3.5780    0.4970 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.3370    0.5980   -0.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8760    1.1110    0.8920 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9260    1.6830    0.3740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4940    2.5960   -0.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5820    1.8980    1.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1480   -0.9140    1.6100 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6470   -2.4120    1.3860 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6380   -2.5790   -1.2640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8900    0.1840   -1.1940 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  4  5  2  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  2  0  0  0  0
 10 11  2  0  0  0  0
 10 18  1  0  0  0  0
M  CHG  1   9  -1
M  CHG  1  18  -1
M  END