TDT2MOL 
COC(=O)C#CC(=O)OC
 16 15  0  0  0  0              0      
   -4.0100   -0.5900    0.3300 C   0  0  0  3  0  0
   -2.6700   -0.6700    0.4800 O   0  0  0  0  0  0
   -2.0700    0.1300   -0.4200 C   0  0  0  0  0  0
   -2.7400    0.6200   -1.3500 O   0  0  0  0  0  0
   -0.6100    0.4400   -0.3000 C   0  0  0  0  0  0
    0.5800    0.6000   -0.3400 C   0  0  0  0  0  0
    2.0800    0.6300   -0.3100 C   0  0  0  0  0  0
    2.7300    1.0100   -1.3000 O   0  0  0  0  0  0
    2.7500    0.2300    0.8000 O   0  0  0  0  0  0
    4.0100   -0.1000    0.4500 C   0  0  0  3  0  0
   -4.2900   -0.9100   -0.6900 H   0  0  0  0  0  0
   -4.3400    0.4400    0.5000 H   0  0  0  0  0  0
   -4.5000   -1.2500    1.0600 H   0  0  0  0  0  0
    4.5600   -0.4400    1.3500 H   0  0  0  0  0  0
    4.5200    0.7700    0.0200 H   0  0  0  0  0  0
    3.9900   -0.9200   -0.2800 H   0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  3  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 11  1  1  0
 12  1  1  0
 13  1  1  0
 14 10  1  0
 15 10  1  0
 16 10  1  0
M  END

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