TDT2MOL 
CCOC(=O)C(C(=O)C)C(=O)c1ccccc1
 31 31  0  0  0  0              0      
   -4.5400    0.9400   -0.1200 C   0  0  0  3  0  0
   -3.5300    1.8700    0.4700 C   0  0  0  2  0  0
   -2.3800    1.2100    0.7200 O   0  0  0  0  0  0
   -1.8100    0.8100   -0.4400 C   0  0  0  0  0  0
   -2.3200    1.1600   -1.5300 O   0  0  0  0  0  0
   -0.5800   -0.0400   -0.4000 C   0  0  0  1  0  0
   -0.8300   -1.2300    0.4800 C   0  0  0  0  0  0
   -1.6300   -1.1300    1.4300 O   0  0  0  0  0  0
   -0.1300   -2.5300    0.2200 C   0  0  0  3  0  0
    0.5500    0.7800    0.1500 C   0  0  0  0  0  0
    0.3100    1.8600    0.7400 O   0  0  0  0  0  0
    1.9700    0.3100    0.0200 C   0  0  0  0  0  0
    3.0000    1.1000    0.5500 C   0  0  0  1  0  0
    4.3400    0.6800    0.4400 C   0  0  0  1  0  0
    4.6400   -0.5200   -0.2000 C   0  0  0  1  0  0
    3.6100   -1.3100   -0.7400 C   0  0  0  1  0  0
    2.2800   -0.8900   -0.6200 C   0  0  0  1  0  0
   -4.7300    0.1100    0.5700 H   0  0  0  0  0  0
   -4.1700    0.5400   -1.0800 H   0  0  0  0  0  0
   -5.4800    1.4800   -0.3000 H   0  0  0  0  0  0
   -3.9200    2.2700    1.4200 H   0  0  0  0  0  0
   -3.3500    2.7100   -0.2100 H   0  0  0  0  0  0
   -0.3300   -0.3700   -1.4200 H   0  0  0  0  0  0
   -0.1000   -2.7300   -0.8600 H   0  0  0  0  0  0
    0.9000   -2.4800    0.6100 H   0  0  0  0  0  0
   -0.6700   -3.3400    0.7400 H   0  0  0  0  0  0
    2.7700    2.0500    1.0600 H   0  0  0  0  0  0
    5.1400    1.3000    0.8600 H   0  0  0  0  0  0
    5.6800   -0.8500   -0.2900 H   0  0  0  0  0  0
    3.8400   -2.2600   -1.2400 H   0  0  0  0  0  0
    1.4700   -1.5100   -1.0400 H   0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  6 10  1  0
 10 11  2  0
 10 12  1  0
 12 17  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 18  1  1  0
 19  1  1  0
 20  1  1  0
 21  2  1  0
 22  2  1  0
 23  6  1  0
 24  9  1  0
 25  9  1  0
 26  9  1  0
 27 13  1  0
 28 14  1  0
 29 15  1  0
 30 16  1  0
 31 17  1  0
M  END

$$$$