TDT2MOL 
CC12CC3OC2(C(CO)CCC1O)C(=O)C=C3
 35 37  0  0  0  0              0      
    1.2800    1.2100   -1.2200 C   0  0  0  3  0  0
    0.9500    0.5700    0.1000 C   0  0  0  0  0  0
    2.1600   -0.1000    0.7100 C   0  0  0  2  0  0
    1.8100   -1.5600    0.6500 C   0  0  0  1  0  0
    0.4400   -1.5800    0.7900 O   0  0  0  0  0  0
   -0.0400   -0.5700   -0.0200 C   0  0  0  0  0  0
   -1.4300   -0.2300    0.4000 C   0  0  0  1  0  0
   -2.4300   -1.2600    0.0100 C   0  0  0  2  0  0
   -3.6700   -0.8700    0.3900 O   0  0  0  1  0  0
   -1.7900    1.1400   -0.1600 C   0  0  0  2  0  0
   -0.8700    2.2000    0.3400 C   0  0  0  2  0  0
    0.3800    1.6700    0.9800 C   0  0  0  1  0  0
    0.1000    1.1000    2.1900 O   0  0  0  1  0  0
    0.0000   -1.1900   -1.4000 C   0  0  0  0  0  0
   -0.8700   -1.0000   -2.2500 O   0  0  0  0  0  0
    1.2100   -2.0400   -1.6800 C   0  0  0  1  0  0
    2.1000   -2.2100   -0.6800 C   0  0  0  1  0  0
    2.0200    2.0100   -1.0800 H   0  0  0  0  0  0
    1.7000    0.4400   -1.8800 H   0  0  0  0  0  0
    0.3600    1.6100   -1.6800 H   0  0  0  0  0  0
    2.3400    0.1900    1.7600 H   0  0  0  0  0  0
    3.1200    0.0700    0.1800 H   0  0  0  0  0  0
    2.2500   -2.1800    1.4400 H   0  0  0  0  0  0
   -1.4800   -0.1000    1.5100 H   0  0  0  0  0  0
   -2.4400   -1.3900   -1.0800 H   0  0  0  0  0  0
   -2.1900   -2.2200    0.4900 H   0  0  0  0  0  0
   -3.6800   -0.7600    1.3400 H   0  0  0  0  0  0
   -1.7800    1.0100   -1.2600 H   0  0  0  0  0  0
   -2.8600    1.3400    0.0900 H   0  0  0  0  0  0
   -1.3500    2.8800    1.0900 H   0  0  0  0  0  0
   -0.5700    2.9000   -0.4800 H   0  0  0  0  0  0
    1.1400    2.4400    1.1500 H   0  0  0  0  0  0
   -0.3000    1.7600    2.7500 H   0  0  0  0  0  0
    1.3700   -2.4900   -2.6700 H   0  0  0  0  0  0
    3.0000   -2.8100   -0.8200 H   0  0  0  0  0  0
  1  2  1  0
  2 12  1  0
  2  6  1  0
  2  3  1  0
  3  4  1  0
  4 17  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
  6 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 18  1  1  0
 19  1  1  0
 20  1  1  0
 21  3  1  0
 22  3  1  0
 23  4  1  0
 24  7  1  0
 25  8  1  0
 26  8  1  0
 27  9  1  0
 28 10  1  0
 29 10  1  0
 30 11  1  0
 31 11  1  0
 32 12  1  0
 33 13  1  0
 34 16  1  0
 35 17  1  0
M  END

$$$$