M5P
  CCTOOLS-0919241033

 31 31  0  0  1  0  0  0  0  0999 V2000
   -3.2000   -1.2740   -0.5890 C   0  0  0  0  0
   -4.4580   -0.9810   -1.0790 C   0  0  0  0  0
   -5.1520    0.1120   -0.5940 C   0  0  0  0  0
   -4.5870    0.9110    0.3820 C   0  0  0  0  0
   -3.3290    0.6170    0.8730 C   0  0  0  0  0
   -2.6350   -0.4750    0.3870 C   0  0  0  0  0
   -1.2630   -0.7950    0.9230 C   0  0  0  0  0
   -0.2060   -0.0740    0.0820 C   0  0  0  0  0
    1.1860   -0.3990    0.6260 C   0  0  0  0  0
    2.2470    0.2160   -0.2890 C   0  0  0  0  0
    2.1660    1.7190   -0.2130 C   0  0  0  0  0
    1.3440    2.2440    0.5000 O   0  0  0  0  0
    3.0070    2.4740   -0.9380 O   0  0  0  0  0
    3.6360   -0.2430    0.1590 C   0  0  0  0  0
    3.7910   -2.0330   -0.0910 S   0  0  0  0  0
   -2.6590   -2.1310   -0.9640 H   0  0  0  0  0
   -4.8990   -1.6060   -1.8420 H   0  0  0  0  0
   -6.1350    0.3410   -0.9780 H   0  0  0  0  0
   -5.1290    1.7650    0.7610 H   0  0  0  0  0
   -2.8870    1.2420    1.6360 H   0  0  0  0  0
   -1.1910   -0.4630    1.9590 H   0  0  0  0  0
   -1.0950   -1.8700    0.8730 H   0  0  0  0  0
   -0.2790   -0.4050   -0.9540 H   0  0  0  0  0
   -0.3740    1.0020    0.1320 H   0  0  0  0  0
    1.2900    0.0130    1.6300 H   0  0  0  0  0
    1.3200   -1.4800    0.6610 H   0  0  0  0  0
    2.0720   -0.1060   -1.3160 H   0  0  0  0  0
    2.9160    3.4330   -0.8560 H   0  0  0  0  0
    4.3960    0.2730   -0.4270 H   0  0  0  0  0
    3.7720   -0.0100    1.2160 H   0  0  0  0  0
    5.0390   -2.2910    0.3390 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  2  0  0  0
  1 16  1  0  0  0
  2  3  2  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  4  5  2  0  0  0
  4 19  1  0  0  0
  5  6  1  0  0  0
  5 20  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 21  1  0  0  0
  7 22  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  8 24  1  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
 10 11  1  0  0  0
 10 14  1  0  0  0
 10 27  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 13 28  1  0  0  0
 14 15  1  0  0  0
 14 29  1  0  0  0
 14 30  1  0  0  0
 15 31  1  0  0  0
M  END
$$$$
