TDT2MOL 
Cc1cc(C)c(s1)C2(O)CCCCC2
 32 33  0  0  0  0              0      
   -4.5200    0.3900   -1.4000 C   0  0  0  3  0  0
   -3.1200    0.1900   -0.9200 C   0  0  0  0  0  0
   -2.6800    0.0400    0.3800 C   0  0  0  1  0  0
   -1.3000   -0.1300    0.5700 C   0  0  0  0  0  0
   -0.9000   -0.2800    2.0400 C   0  0  0  3  0  0
   -0.5200   -0.1400   -0.5500 C   0  0  0  0  0  0
   -1.6900    0.0900   -1.8600 S   0  0  0  0  0  0
    0.9000   -0.2700   -1.0200 C   0  0  0  0  0  0
    0.7100   -0.5900   -2.3600 O   0  0  0  1  0  0
    1.6400    1.0200   -0.9600 C   0  0  0  2  0  0
    1.9900    1.3600    0.4600 C   0  0  0  2  0  0
    2.8600    0.2700    1.0300 C   0  0  0  2  0  0
    2.1000   -1.0200    1.0200 C   0  0  0  2  0  0
    1.6800   -1.3600   -0.3800 C   0  0  0  2  0  0
   -4.9600   -0.5800   -1.7000 H   0  0  0  0  0  0
   -5.1300    0.8300   -0.6000 H   0  0  0  0  0  0
   -4.5100    1.0600   -2.2700 H   0  0  0  0  0  0
   -3.3700    0.0600    1.2600 H   0  0  0  0  0  0
   -1.7900   -0.0200    2.6400 H   0  0  0  0  0  0
   -0.6400   -1.3200    2.2300 H   0  0  0  0  0  0
   -0.1000    0.4200    2.2800 H   0  0  0  0  0  0
    1.5700   -0.6800   -2.7600 H   0  0  0  0  0  0
    1.0300    1.8400   -1.3900 H   0  0  0  0  0  0
    2.5800    0.9500   -1.5400 H   0  0  0  0  0  0
    2.5400    2.3200    0.4900 H   0  0  0  0  0  0
    1.0800    1.4600    1.0600 H   0  0  0  0  0  0
    3.7700    0.1700    0.4200 H   0  0  0  0  0  0
    3.1500    0.5300    2.0600 H   0  0  0  0  0  0
    2.7400   -1.8200    1.4400 H   0  0  0  0  0  0
    1.2200   -0.9200    1.6600 H   0  0  0  0  0  0
    1.0800   -2.2900   -0.3600 H   0  0  0  0  0  0
    2.5900   -1.5700   -0.9700 H   0  0  0  0  0  0
  1  2  1  0
  2  7  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  6  8  1  0
  8 14  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 15  1  1  0
 16  1  1  0
 17  1  1  0
 18  3  1  0
 19  5  1  0
 20  5  1  0
 21  5  1  0
 22  9  1  0
 23 10  1  0
 24 10  1  0
 25 11  1  0
 26 11  1  0
 27 12  1  0
 28 12  1  0
 29 13  1  0
 30 13  1  0
 31 14  1  0
 32 14  1  0
M  END

$$$$