TDT2MOL 
NCc1cc(O)no1
 14 14  0  0  0  0              0      
    2.5200    0.6100   -0.2700 N   0  0  0  2  0  0
    1.2500    1.0700    0.2700 C   0  0  0  2  0  0
    0.2300   -0.0200    0.1800 C   0  0  0  0  0  0
   -1.1500    0.1600    0.0000 C   0  0  0  1  0  0
   -1.7500   -1.1000   -0.0300 C   0  0  0  0  0  0
   -3.1200   -1.3500   -0.2000 O   0  0  0  1  0  0
   -0.7500   -2.0600    0.1400 N   0  0  0  0  0  0
    0.4700   -1.4000    0.2700 O   0  0  0  0  0  0
    2.8400   -0.1700    0.2600 H   0  0  0  0  0  0
    2.3900    0.3400   -1.2300 H   0  0  0  0  0  0
    1.3900    1.3600    1.3200 H   0  0  0  0  0  0
    0.9100    1.9400   -0.3100 H   0  0  0  0  0  0
   -1.6600    1.1300   -0.1100 H   0  0  0  0  0  0
   -3.5800   -0.5200   -0.2900 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  1  0
  5  7  2  0
  7  8  1  0
  9  1  1  0
 10  1  1  0
 11  2  1  0
 12  2  1  0
 13  4  1  0
 14  6  1  0
M  END

$$$$