IFLAB-ZINC01236698
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 17 17  0  0  0  0  0  0  0  0999 V2000
   -0.0180    1.5110    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
   -1.0000   -0.6930    0.0080 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2160   -0.4890   -0.0120 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2760    0.2850   -0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7580    1.9280   -0.0040 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5710   -0.1410   -0.0320 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8710   -1.5750   -0.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3640   -1.7760   -0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1020   -0.8200   -0.0590 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5140    1.8970   -0.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4970    1.8870    0.9150 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2940    0.5050   -0.0360 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500   -2.0410    0.8480 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4340   -2.0310   -0.9320 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8740   -3.0180   -0.0690 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8380   -3.0960   -0.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  2  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END