IBS-ZINC04028704
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 16 16  0  0  1  0  0  0  0  0999 V2000
   -0.4680    1.9530    0.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9990    0.5660    0.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2630   -0.1960   -0.3010 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0340    2.1030    0.3850 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6590    3.5090    0.5230 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6700    3.6240    0.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4980    2.6240    1.6460 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8400    4.7310    0.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9420    5.4850    1.5940 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250    1.1020   -0.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250    1.2810   -1.4840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7850    2.1860   -0.7220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9700    2.6820    0.9520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2080    0.3680    1.9090 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.1200    5.0150   -0.4450 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3860    0.1420    0.4490 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