TDT2MOL 
Cc1cc(C)c(Br)s1
 15 15  0  0  0  0              0      
    2.7500   -0.2700    0.1700 C   0  0  0  3  0  0
    1.3500    0.1700   -0.0900 C   0  0  0  0  0  0
    0.1700   -0.4900    0.2900 C   0  0  0  1  0  0
   -1.0100    0.1300   -0.0800 C   0  0  0  0  0  0
   -2.3600   -0.4700    0.2600 C   0  0  0  3  0  0
   -0.8900    1.3300   -0.7900 C   0  0  0  0  0  0
   -2.2800    2.4200   -1.4500 Br  0  0  0  0  0  0
    0.8200    1.5800   -0.9300 S   0  0  0  0  0  0
    2.7600   -1.3100    0.5500 H   0  0  0  0  0  0
    3.3400   -0.2200   -0.7600 H   0  0  0  0  0  0
    3.2100    0.3900    0.9300 H   0  0  0  0  0  0
    0.1800   -1.4400    0.8600 H   0  0  0  0  0  0
   -2.2200   -1.2500    1.0200 H   0  0  0  0  0  0
   -2.8100   -0.8900   -0.6500 H   0  0  0  0  0  0
   -3.0000    0.3300    0.6700 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

$$$$