MAYBRIDGE-ZINC01038881
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.0160    1.3650    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
    1.3300   -0.4090   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    0.6580   -0.0150 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3880    1.7860   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8610    3.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1040    4.2080    0.0140 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7400    5.3000    0.0130 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0830    5.2220   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5550    3.5780   -0.0060 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9230    6.2740   -0.0030 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7870   -1.8170   -0.0240 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.9060   -2.7960   -0.0200 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -2.0910   -0.0380 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8870    2.0040    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8610   -0.6530    0.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5700    7.1770    0.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8820    6.1280   -0.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  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  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  CHG  1  12   1
M  CHG  1  14  -1
M  END