TDT2MOL 
Nc1ncc(Br)nc1Br
 12 12  0  0  0  0              0      
    1.3300   -1.7800    0.3900 N   0  0  0  2  0  0
    0.4800   -0.6900    0.1600 C   0  0  0  0  0  0
   -0.8900   -0.8300    0.3800 N   0  0  0  0  0  0
   -1.7500    0.2500    0.1500 C   0  0  0  1  0  0
   -1.2300    1.4700   -0.3000 C   0  0  0  0  0  0
   -2.3900    2.9400   -0.6200 Br  0  0  0  0  0  0
    0.1400    1.6100   -0.5300 N   0  0  0  0  0  0
    1.0000    0.5200   -0.3000 C   0  0  0  0  0  0
    2.8700    0.7100   -0.6100 Br  0  0  0  0  0  0
    0.9500   -2.6500    0.7100 H   0  0  0  0  0  0
    2.3200   -1.7000    0.2300 H   0  0  0  0  0  0
   -2.8300    0.1500    0.3300 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

$$$$