PUBCHEM-ZINC06096530
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 25 25  0  0  1  0  0  0  0  0999 V2000
   -0.6780    0.6750   -1.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1870   -0.0790   -2.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9770   -0.8330   -2.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6620   -0.8400   -0.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1570   -0.0810    0.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0070    0.6740    0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -1.6550   -0.7260 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1230   -1.0780   -1.4920 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8310   -0.8400   -2.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7200    0.1580   -0.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6150    0.9350   -1.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4670    2.1350   -1.9750 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2530   -2.1200   -1.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3470   -2.8970   -0.5550 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5820    1.2640   -1.3300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7080   -0.0790   -3.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3510   -1.4170   -2.9520 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6720   -0.0700    1.1310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3890    1.2620    0.8450 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1620   -1.7500    0.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7080   -2.6750   -1.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9300    0.8430   -0.4840 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3160   -0.1070    0.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4620    0.3860   -2.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9800   -2.0400   -2.5740 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 15  1  0  0  0  0
  2  3  2  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  2  0  0  0  0
 11 24  1  0  0  0  0
 13 14  2  0  0  0  0
 13 25  1  0  0  0  0
M  CHG  1  25  -1
M  END