SIAL-ZINC04829015
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 19 19  0  0  0  0  0  0  0  0999 V2000
   -0.1170    1.2330    0.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0260   -0.1350    0.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1280   -0.6960    0.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1870    0.1280   -0.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0860    1.4990   -0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9330    2.0490    0.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1150    2.3060   -0.3980 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2290   -2.1610    0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2100   -2.8400   -0.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9210   -2.1180   -1.1270 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.8610   -0.9120   -1.2860 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9110   -2.7310   -1.4840 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.0130    1.6670    1.3100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8480   -0.7700    1.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0830   -0.3010   -0.6200 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8560    3.1190    0.6440 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0660    2.6130   -1.3140 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -2.6780    0.2930 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2040   -3.9190   -0.4550 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 13  1  0  0  0  0
  2  3  2  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  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  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  CHG  1  10   1
M  CHG  1  12  -1
M  END