IBS-ZINC04028703
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 16 16  0  0  1  0  0  0  0  0999 V2000
   -0.0540    2.0440    0.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5120    2.0390    1.9460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5600    3.1740    2.5050 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4400    2.2370    0.3000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0070    3.6590    0.2510 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3110    4.4460    0.5210 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7100    2.9200   -0.9480 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4410    3.9690    0.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2880    3.6780   -0.4590 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3400    1.0900    0.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9640    1.0570    1.6800 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3570    1.1070    0.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6100    2.8390   -0.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8880    0.9170    2.3960 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7460    4.6240    1.5050 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4060    0.1590   -0.3060 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  2  0  0  0  0
  2 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
M  CHG  1  14  -1
M  CHG  1  15  -1
M  CHG  1  16  -1
M  END