TDT2MOL 
CC(=O)c1ccccn1
 16 16  0  0  0  0              0      
   -2.6700   -0.6100   -0.0400 C   0  0  0  3  0  0
   -1.7200    0.5500   -0.0500 C   0  0  0  0  0  0
   -2.2100    1.7100   -0.1000 O   0  0  0  0  0  0
   -0.2300    0.4100   -0.0200 C   0  0  0  0  0  0
    0.4000   -0.8300    0.0300 C   0  0  0  1  0  0
    1.8000   -0.9000    0.0600 C   0  0  0  1  0  0
    2.5700    0.2700    0.0400 C   0  0  0  1  0  0
    1.9300    1.5100    0.0000 C   0  0  0  1  0  0
    0.5400    1.5800   -0.0400 N   0  0  0  0  0  0
   -2.1300   -1.5600   -0.1700 H   0  0  0  0  0  0
   -3.2100   -0.6300    0.9200 H   0  0  0  0  0  0
   -3.4000   -0.5000   -0.8600 H   0  0  0  0  0  0
   -0.1700   -1.7700    0.0500 H   0  0  0  0  0  0
    2.3000   -1.8800    0.1000 H   0  0  0  0  0  0
    3.6700    0.2100    0.0700 H   0  0  0  0  0  0
    2.5300    2.4400   -0.0200 H   0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  9  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
 10  1  1  0
 11  1  1  0
 12  1  1  0
 13  5  1  0
 14  6  1  0
 15  7  1  0
 16  8  1  0
M  END

$$$$