TDT2MOL 
Cc1cc(C)c(I)s1
 15 15  0  0  0  0              0      
    2.7600   -0.2900   -0.1600 C   0  0  0  3  0  0
    1.3500    0.1500    0.1100 C   0  0  0  0  0  0
    0.1800   -0.4800   -0.3100 C   0  0  0  1  0  0
   -1.0000    0.1300    0.0800 C   0  0  0  0  0  0
   -2.3500   -0.4500   -0.3100 C   0  0  0  3  0  0
   -0.8800    1.3000    0.8300 C   0  0  0  0  0  0
   -2.3800    2.4600    1.5800 I   0  0  0  0  0  0
    0.8200    1.5300    1.0000 S   0  0  0  0  0  0
    2.7500   -1.3300   -0.5200 H   0  0  0  0  0  0
    3.3500   -0.2300    0.7600 H   0  0  0  0  0  0
    3.2100    0.3600   -0.9300 H   0  0  0  0  0  0
    0.1900   -1.4100   -0.9200 H   0  0  0  0  0  0
   -2.1900   -1.4400   -0.7600 H   0  0  0  0  0  0
   -2.9700   -0.5300    0.5900 H   0  0  0  0  0  0
   -2.8300    0.2200   -1.0400 H   0  0  0  0  0  0
  1  2  1  0
  2  8  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
  9  1  1  0
 10  1  1  0
 11  1  1  0
 12  3  1  0
 13  5  1  0
 14  5  1  0
 15  5  1  0
M  END

$$$$