SIAL-ZINC04566258
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 20  0  0  0  0  0  0  0  0999 V2000
   -0.0610    1.5050   -0.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1180    0.1360   -0.8760 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9620   -0.6510   -0.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1050   -0.0710    0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1740    1.2970    0.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0890    2.0960   -0.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1560    3.5630   -0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1300    4.2160    0.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9700    3.4670    1.1560 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.8770    2.2630    1.3140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9680    4.0550    1.5320 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8950   -2.1190   -0.6900 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.1100   -2.6330   -1.1480 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8440   -2.8140   -0.3750 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9030    2.1180   -1.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0070   -0.3230   -1.2810 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9440   -0.6900    0.2840 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0670    1.7490    0.5760 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0420    4.1020   -0.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0960    5.2940    0.4630 H   0  0  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 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  CHG  1   9   1
M  CHG  1  11  -1
M  CHG  1  12   1
M  CHG  1  14  -1
M  END