TDT2MOL 
CC(=O)c1c[nH]cc1CO
 19 19  0  0  0  0              0      
   -2.8200   -0.5200   -0.2300 C   0  0  0  3  0  0
   -1.3500   -0.8300   -0.2500 C   0  0  0  0  0  0
   -0.9600   -1.9700   -0.5900 O   0  0  0  0  0  0
   -0.3500    0.2200    0.1300 C   0  0  0  0  0  0
   -0.6600    1.5300    0.5300 C   0  0  0  1  0  0
    0.5500    2.1900    0.8000 N   0  0  0  1  0  0
    1.5900    1.2900    0.5700 C   0  0  0  1  0  0
    1.0400    0.0800    0.1500 C   0  0  0  0  0  0
    1.8000   -1.1600   -0.2000 C   0  0  0  2  0  0
    2.4800   -0.9600   -1.3500 O   0  0  0  1  0  0
   -3.0500    0.0800    0.6700 H   0  0  0  0  0  0
   -3.3900   -1.4600   -0.2000 H   0  0  0  0  0  0
   -3.0900    0.0500   -1.1300 H   0  0  0  0  0  0
   -1.6700    1.9600    0.6200 H   0  0  0  0  0  0
    0.6400    3.1400    1.1100 H   0  0  0  0  0  0
    2.6700    1.5100    0.6900 H   0  0  0  0  0  0
    1.1000   -2.0000   -0.3300 H   0  0  0  0  0  0
    2.5100   -1.4000    0.6000 H   0  0  0  0  0  0
    2.9600   -1.7500   -1.5800 H   0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  8  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 11  1  1  0
 12  1  1  0
 13  1  1  0
 14  5  1  0
 15  6  1  0
 16  7  1  0
 17  9  1  0
 18  9  1  0
 19 10  1  0
M  END

$$$$