BACHEM-ZINC04899846
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 17 16  0  0  1  0  0  0  0  0999 V2000
   -0.2760    1.2250   -0.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0100   -0.1790   -0.1640 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7290   -0.7190   -0.7860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3480   -0.9060   -0.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6340   -1.1370    1.1540 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9380    1.9480   -0.9060 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4780    2.9330    0.2830 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8370    3.2590   -0.1260 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5340    4.0430    0.2790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7670    1.1630   -1.6750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9570    1.7820   -0.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9460   -1.1710   -1.1370 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.6100   -0.1190    1.2230 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.2010   -0.3940    1.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9540    0.8590    1.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3670   -0.7850    1.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3920    2.0610    1.4660 O   0  5  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 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 13  1  0  0  0  0
  4  5  2  0  0  0  0
  4 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  CHG  1  12  -1
M  CHG  1  13   1
M  CHG  1  17  -1
M  END