TDT2MOL 
Cc1ccc(Br)s1
 12 12  0  0  0  0              0      
    2.0900    0.3300   -0.0100 C   0  0  0  3  0  0
    0.6100    0.2000    0.1200 C   0  0  0  0  0  0
   -0.2400   -0.6000   -0.6500 C   0  0  0  1  0  0
   -1.5900   -0.5400   -0.3300 C   0  0  0  1  0  0
   -1.9300    0.3000    0.7200 C   0  0  0  0  0  0
   -3.6600    0.6100    1.4200 Br  0  0  0  0  0  0
   -0.4400    0.9900    1.2400 S   0  0  0  0  0  0
    2.3700    1.3900    0.0600 H   0  0  0  0  0  0
    2.5800   -0.2300    0.7900 H   0  0  0  0  0  0
    2.4100   -0.0600   -0.9900 H   0  0  0  0  0  0
    0.1400   -1.2400   -1.4800 H   0  0  0  0  0  0
   -2.3400   -1.1400   -0.8900 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  2  0
  5  6  1  0
  5  7  1  0
  8  1  1  0
  9  1  1  0
 10  1  1  0
 11  3  1  0
 12  4  1  0
M  END

$$$$