81M
  CCTOOLS-0919241031

 22 22  0  0  0  0  0  0  0  0999 V2000
   -3.2830   -0.2100   -0.0010 C   0  0  0  0  0
    4.8510   -0.8570    0.0020 C   0  0  0  0  0
    3.3220   -0.9300    0.0020 C   0  0  0  0  0
    2.6370    0.7500   -0.0000 S   0  0  0  0  0
    0.8980    0.4680    0.0000 C   0  0  0  0  0
    0.0180    1.5480   -0.0010 C   0  0  0  0  0
   -1.3310    1.3330   -0.0020 C   0  0  0  0  0
   -1.8290    0.0260   -0.0010 C   0  0  0  0  0
   -0.9430   -1.0570    0.0000 C   0  0  0  0  0
    0.4050   -0.8350   -0.0050 C   0  0  0  0  0
   -3.7620   -1.4700   -0.0000 O   0  0  0  0  0
   -4.0510    0.7320    0.0040 O   0  0  0  0  0
    5.1890   -0.3260    0.8910 H   0  0  0  0  0
    5.2630   -1.8660    0.0030 H   0  0  0  0  0
    5.1890   -0.3270   -0.8890 H   0  0  0  0  0
    2.9840   -1.4610   -0.8880 H   0  0  0  0  0
    2.9840   -1.4600    0.8920 H   0  0  0  0  0
    0.4030    2.5570   -0.0010 H   0  0  0  0  0
   -2.0120    2.1710   -0.0020 H   0  0  0  0  0
   -1.3250   -2.0670    0.0010 H   0  0  0  0  0
    1.0890   -1.6710   -0.0040 H   0  0  0  0  0
   -4.7230   -1.5740   -0.0000 H   0  0  0  0  0
  1 11  1  0  0  0
  1  8  1  0  0  0
  2 13  1  0  0  0
  2 14  1  0  0  0
  2 15  1  0  0  0
  3  2  1  0  0  0
  3 16  1  0  0  0
  3 17  1  0  0  0
  4  3  1  0  0  0
  5  6  1  0  0  0
  5  4  1  0  0  0
  6 18  1  0  0  0
  7  6  2  0  0  0
  7 19  1  0  0  0
  8  7  1  0  0  0
  9  8  2  0  0  0
  9 10  1  0  0  0
  9 20  1  0  0  0
 10  5  2  0  0  0
 10 21  1  0  0  0
 11 22  1  0  0  0
 12  1  2  0  0  0
M  END
$$$$