TDT2MOL 
Nc1cnc(Br)cn1
 12 12  0  0  0  0              0      
    2.2600   -0.1800   -0.3300 N   0  0  0  2  0  0
    0.8800   -0.0700   -0.1300 C   0  0  0  0  0  0
    0.3500    1.0900    0.4500 C   0  0  0  1  0  0
   -1.0400    1.2000    0.6500 N   0  0  0  0  0  0
   -1.8800    0.1500    0.2800 C   0  0  0  0  0  0
   -3.7600    0.3000    0.5500 Br  0  0  0  0  0  0
   -1.3500   -1.0100   -0.3000 C   0  0  0  1  0  0
    0.0300   -1.1200   -0.5100 N   0  0  0  0  0  0
    2.6400   -1.0100   -0.7500 H   0  0  0  0  0  0
    2.8700    0.5700   -0.0600 H   0  0  0  0  0  0
    1.0100    1.9100    0.7500 H   0  0  0  0  0  0
   -2.0100   -1.8300   -0.6000 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
  9  1  1  0
 10  1  1  0
 11  3  1  0
 12  7  1  0
M  END

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