TDT2MOL 
COc1nccnc1N
 16 16  0  0  0  0              0      
   -2.4200   -0.7000   -0.1000 C   0  0  0  3  0  0
   -1.6700    0.4200   -0.0400 O   0  0  0  0  0  0
   -0.3100    0.0800   -0.0100 C   0  0  0  0  0  0
    0.0800   -1.2600   -0.0400 N   0  0  0  0  0  0
    1.4400   -1.5900   -0.0100 C   0  0  0  1  0  0
    2.4100   -0.5800    0.0600 C   0  0  0  1  0  0
    2.0100    0.7700    0.0900 N   0  0  0  0  0  0
    0.6500    1.1000    0.0600 C   0  0  0  0  0  0
    0.2500    2.4400    0.0900 N   0  0  0  2  0  0
   -2.1400   -1.2900   -0.9900 H   0  0  0  0  0  0
   -3.4900   -0.4200   -0.1700 H   0  0  0  0  0  0
   -2.2600   -1.3000    0.8000 H   0  0  0  0  0  0
    1.7600   -2.6400   -0.0300 H   0  0  0  0  0  0
    3.4800   -0.8300    0.0800 H   0  0  0  0  0  0
    0.9400    3.1600    0.1400 H   0  0  0  0  0  0
   -0.7200    2.6700    0.0700 H   0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  8  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
 10  1  1  0
 11  1  1  0
 12  1  1  0
 13  5  1  0
 14  6  1  0
 15  9  1  0
 16  9  1  0
M  END

$$$$