TDT2MOL 
Cc1cc(I)sc1C2(O)CCCCC2
 29 30  0  0  0  0              0      
    2.2000    1.4100   -0.9800 C   0  0  0  3  0  0
    2.2400    0.2500    0.0000 C   0  0  0  0  0  0
    3.4600   -0.3200    0.3300 C   0  0  0  1  0  0
    3.4200   -1.3900    1.2300 C   0  0  0  0  0  0
    5.0000   -2.4700    1.9400 I   0  0  0  0  0  0
    1.7500   -1.5700    1.6000 S   0  0  0  0  0  0
    1.1200   -0.3000    0.6100 C   0  0  0  0  0  0
   -0.3300    0.0400    0.5000 C   0  0  0  0  0  0
   -0.6900    0.8200    1.5500 O   0  0  0  1  0  0
   -1.1300   -1.2300    0.5500 C   0  0  0  2  0  0
   -2.5900   -0.9200    0.4500 C   0  0  0  2  0  0
   -2.8700   -0.2000   -0.8400 C   0  0  0  2  0  0
   -2.0800    1.0700   -0.8800 C   0  0  0  2  0  0
   -0.6200    0.7700   -0.7800 C   0  0  0  2  0  0
    1.5600    1.1500   -1.8300 H   0  0  0  0  0  0
    1.8200    2.3000   -0.4700 H   0  0  0  0  0  0
    3.2300    1.6000   -1.3400 H   0  0  0  0  0  0
    4.4100    0.0500   -0.1100 H   0  0  0  0  0  0
   -0.5200    0.3600    2.3600 H   0  0  0  0  0  0
   -0.9300   -1.7600    1.4900 H   0  0  0  0  0  0
   -0.8400   -1.8800   -0.3000 H   0  0  0  0  0  0
   -3.1700   -1.8500    0.4800 H   0  0  0  0  0  0
   -2.8900   -0.2800    1.3000 H   0  0  0  0  0  0
   -3.9400    0.0200   -0.9100 H   0  0  0  0  0  0
   -2.5700   -0.8400   -1.6800 H   0  0  0  0  0  0
   -2.2800    1.6000   -1.8200 H   0  0  0  0  0  0
   -2.3900    1.7100   -0.0300 H   0  0  0  0  0  0
   -0.0500    1.7100   -0.8000 H   0  0  0  0  0  0
   -0.3100    0.1400   -1.6300 H   0  0  0  0  0  0
  1  2  1  0
  2  7  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  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  9  1  0
 20 10  1  0
 21 10  1  0
 22 11  1  0
 23 11  1  0
 24 12  1  0
 25 12  1  0
 26 13  1  0
 27 13  1  0
 28 14  1  0
 29 14  1  0
M  END

$$$$