MAYBRIDGE-ZINC00085294
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.0170    1.3740    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020   -0.0040    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2150   -0.6780   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4200    0.0460   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3820    1.4430   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1700    2.0940    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6420    2.2200   -0.0210 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6070    3.4370   -0.0150 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7140    1.6410   -0.0340 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4280   -0.8630   -0.0350 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9320   -2.0660   -0.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5730   -2.0110   -0.0230 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9670   -2.7690   -0.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9610    1.8980    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250   -0.5580    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1420    3.1740    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5150   -2.9750   -0.0470 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 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2 15  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 10  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  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
M  CHG  1   7   1
M  CHG  1   9  -1
M  END