A1DOI
  CCTOOLS-0731261037

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.7620   -1.3160    0.7180 O   0  0  0  0  0
    2.5120   -0.1920   -0.1150 S   0  0  0  0  0
    3.4800    0.2220   -1.0690 O   0  0  0  0  0
    1.9880    1.2400    0.9080 C   0  0  0  0  0
    0.4820    1.0980    0.9480 C   0  0  0  0  0
   -0.0620    0.3160    0.0560 C   0  0  0  0  0
   -1.5240    0.1050    0.0040 C   0  0  0  0  0
   -2.3750    1.1670   -0.3070 C   0  0  0  0  0
   -3.7390    0.9630   -0.3550 C   0  0  0  0  0
   -4.2630   -0.2900   -0.0950 C   0  0  0  0  0
   -3.4260   -1.3470    0.2140 C   0  0  0  0  0
   -2.0590   -1.1580    0.2590 C   0  0  0  0  0
    0.8720   -0.3650   -0.9220 C   0  0  0  0  0
    2.4090    1.1710    1.9110 H   0  0  0  0  0
    2.2740    2.1780    0.4320 H   0  0  0  0  0
   -0.1140    1.6200    1.6820 H   0  0  0  0  0
   -1.9660    2.1460   -0.5100 H   0  0  0  0  0
   -4.3980    1.7840   -0.5960 H   0  0  0  0  0
   -5.3320   -0.4440   -0.1330 H   0  0  0  0  0
   -3.8420   -2.3230    0.4160 H   0  0  0  0  0
   -1.4060   -1.9850    0.4950 H   0  0  0  0  0
    0.8610    0.1460   -1.8850 H   0  0  0  0  0
    0.6090   -1.4160   -1.0390 H   0  0  0  0  0
  1  2  2  0  0  0
  2  3  2  0  0  0
  2  4  1  0  0  0
  2 13  1  0  0  0
  4  5  1  0  0  0
  4 14  1  0  0  0
  4 15  1  0  0  0
  5  6  2  0  0  0
  5 16  1  0  0  0
  6  7  1  0  0  0
  6 13  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 17  1  0  0  0
  9 10  2  0  0  0
  9 18  1  0  0  0
 10 11  1  0  0  0
 10 19  1  0  0  0
 11 12  2  0  0  0
 11 20  1  0  0  0
 12 21  1  0  0  0
 13 22  1  0  0  0
 13 23  1  0  0  0
M  END
$$$$
