TDT2MOL 
Nc1ncc(Br)nc1*21F]
 12 12  0  0  0  0              0      
    2.2500    0.0100    0.4000 N   0  0  0  2  0  0
    0.8700    0.0100    0.1600 C   0  0  0  0  0  0
    0.1200    1.1800    0.3700 N   0  0  0  0  0  0
   -1.2600    1.1900    0.1300 C   0  0  0  1  0  0
   -1.8900    0.0200   -0.3300 C   0  0  0  0  0  0
   -3.7600    0.0300   -0.6600 Br  0  0  0  0  0  0
   -1.1500   -1.1400   -0.5400 N   0  0  0  0  0  0
    0.2300   -1.1500   -0.3000 C   0  0  0  0  0  0
    0.9500   -2.2700   -0.5000 R   0  0  0  0  0  0
    2.7800   -0.8200    0.2500 H   0  0  0  0  0  0
    2.7000    0.8400    0.7300 H   0  0  0  0  0  0
   -1.8400    2.1000    0.2900 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  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
 10  1  1  0
 11  1  1  0
 12  4  1  0
M  END

$$$$