
  TDT2MOL 
COc1ccncc1
 15 15  0  0  0  0              0      
    2.3400   -0.2800    0.0800 C   0  0  0  3  0  0
    1.5600    0.8100   -0.0300 O   0  0  0  0  0  0
    0.2100    0.4500   -0.0300 C   0  0  0  0  0  0
   -0.7600    1.4600   -0.1400 C   0  0  0  1  0  0
   -2.1200    1.1300   -0.1500 C   0  0  0  1  0  0
   -2.5200   -0.2100   -0.0400 N   0  0  0  0  0  0
   -1.5600   -1.2100    0.0600 C   0  0  0  1  0  0
   -0.1900   -0.8900    0.0700 C   0  0  0  1  0  0
    2.1200   -0.8100    1.0200 H   0  0  0  0  0  0
    3.4000    0.0300    0.0800 H   0  0  0  0  0  0
    2.1600   -0.9600   -0.7700 H   0  0  0  0  0  0
   -0.4500    2.5100   -0.2200 H   0  0  0  0  0  0
   -2.8800    1.9300   -0.2300 H   0  0  0  0  0  0
   -1.8700   -2.2700    0.1400 H   0  0  0  0  0  0
    0.5500   -1.6900    0.1500 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
  9  1  1  0
 10  1  1  0
 11  1  1  0
 12  4  1  0
 13  5  1  0
 14  7  1  0
 15  8  1  0
M  END

$$$$
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