TDT2MOL 
COC(=O)C=CC(=O)OC
 18 17  0  0  0  0              0      
    3.3800   -0.8100    0.3500 C   0  0  0  3  0  0
    2.8100   -0.0600   -0.6300 O   0  0  0  0  0  0
    1.4800    0.0300   -0.3800 C   0  0  0  0  0  0
    0.9500   -0.8300    0.3400 O   0  0  0  0  0  0
    0.7100    1.1600   -0.9900 C   0  0  0  1  0  0
   -0.6100    1.3500   -0.8100 C   0  0  0  1  0  0
   -1.4700    0.4500    0.0200 C   0  0  0  0  0  0
   -1.0000   -0.5500    0.6000 O   0  0  0  0  0  0
   -2.7900    0.7200    0.1500 O   0  0  0  0  0  0
   -3.4300   -0.4100    0.5300 C   0  0  0  3  0  0
    4.4600   -0.8900    0.1600 H   0  0  0  0  0  0
    2.9300   -1.8100    0.3600 H   0  0  0  0  0  0
    3.2200   -0.3200    1.3200 H   0  0  0  0  0  0
    1.2600    1.8900   -1.6200 H   0  0  0  0  0  0
   -1.0900    2.2200   -1.3000 H   0  0  0  0  0  0
   -3.2900   -1.1800   -0.2400 H   0  0  0  0  0  0
   -3.0300   -0.7700    1.4900 H   0  0  0  0  0  0
   -4.5100   -0.1900    0.6500 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  2  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  5  1  0
 15  6  1  0
 16 10  1  0
 17 10  1  0
 18 10  1  0
M  END

$$$$