TDT2MOL 
Cn1cccnc1=O
 14 14  0  0  0  0              0      
    2.0200   -0.0700    0.3200 C   0  0  0  3  0  0
    0.5900    0.0800    0.1200 N   0  0  0  0  0  0
   -0.1800   -1.0300   -0.2400 C   0  0  0  1  0  0
   -1.5600   -0.8900   -0.4400 C   0  0  0  1  0  0
   -2.1700    0.3700   -0.2900 C   0  0  0  1  0  0
   -1.3900    1.4800    0.0700 N   0  0  0  0  0  0
   -0.0100    1.3300    0.2700 C   0  0  0  0  0  0
    0.6800    2.3300    0.5900 O   0  0  0  0  0  0
    2.4200    0.8600    0.7600 H   0  0  0  0  0  0
    2.5100   -0.2600   -0.6400 H   0  0  0  0  0  0
    2.2100   -0.9100    1.0100 H   0  0  0  0  0  0
    0.2900   -2.0100   -0.3700 H   0  0  0  0  0  0
   -2.1700   -1.7600   -0.7200 H   0  0  0  0  0  0
   -3.2500    0.4800   -0.4400 H   0  0  0  0  0  0
  1  2  1  0
  2  7  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  9  1  1  0
 10  1  1  0
 11  1  1  0
 12  3  1  0
 13  4  1  0
 14  5  1  0
M  END

$$$$