A1JPL
  CCTOOLS-0619261019

 17 16  0  0  1  0  0  0  0  0999 V2000
    1.8440    0.2200   -0.1050 C   0  0  0  0  0
   -3.0580    0.5600   -0.4530 N   0  0  0  0  0
    0.6210    0.9470    0.3890 C   0  0  0  0  0
   -1.8590    1.1490    0.1570 C   0  0  0  0  0
   -0.6290    0.3340   -0.2460 C   0  0  0  0  0
    1.7290   -0.6950   -0.8850 O   0  0  0  0  0
   -0.8220   -1.3760    0.3280 S   0  0  0  0  0
    3.0630    0.5920    0.3180 O   0  0  0  0  0
   -3.1530   -0.4120   -0.2000 H   0  0  0  0  0
   -3.8850    1.0820   -0.2020 H   0  0  0  0  0
    0.5580    0.8580    1.4740 H   0  0  0  0  0
    0.6880    2.0000    0.1150 H   0  0  0  0  0
   -1.7430    2.1770   -0.1880 H   0  0  0  0  0
   -1.9610    1.1400    1.2420 H   0  0  0  0  0
   -0.5260    0.3430   -1.3310 H   0  0  0  0  0
   -0.9360   -1.2360    1.6610 H   0  0  0  0  0
    3.8180    0.0980   -0.0300 H   0  0  0  0  0
  1  6  2  0  0  0
  1  8  1  0  0  0
  2  9  1  0  0  0
  2 10  1  0  0  0
  3  1  1  0  0  0
  3 11  1  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4  2  1  0  0  0
  4 13  1  0  0  0
  4 14  1  0  0  0
  5  3  1  0  0  0
  5 15  1  0  0  0
  7  5  1  0  0  0
  7 16  1  0  0  0
  8 17  1  0  0  0
M  END
$$$$
