TDT2MOL 
CC(=C=CC(C)(C)C(O)CCC=C)C
 36 35  0  0  0  0              0      
    2.7300    2.6700    0.1300 C   0  0  0  3  0  0
    3.0500    1.2200   -0.0800 C   0  0  0  0  0  0
    2.0700    0.3600   -0.4500 C   0  0  0  0  0  0
    1.0800   -0.4800   -0.8100 C   0  0  0  1  0  0
    0.3200   -1.2400    0.2400 C   0  0  0  0  0  0
    0.3800   -0.5000    1.5400 C   0  0  0  3  0  0
    0.9500   -2.6000    0.4200 C   0  0  0  3  0  0
   -1.1100   -1.4100   -0.2000 C   0  0  0  1  0  0
   -1.7700   -2.1000    0.7500 O   0  0  0  1  0  0
   -1.7500   -0.0800   -0.4200 C   0  0  0  2  0  0
   -3.1400   -0.2500   -0.9400 C   0  0  0  2  0  0
   -3.7700    1.0900   -1.1700 C   0  0  0  1  0  0
   -4.4800    1.6800   -0.1900 C   0  0  0  2  0  0
    4.4500    0.7200    0.1200 C   0  0  0  3  0  0
    3.3300    3.2800   -0.5600 H   0  0  0  0  0  0
    2.9700    2.9500    1.1700 H   0  0  0  0  0  0
    1.6600    2.8400   -0.0600 H   0  0  0  0  0  0
    0.8900   -0.6900   -1.8700 H   0  0  0  0  0  0
   -0.2100   -1.0300    2.3000 H   0  0  0  0  0  0
    1.4300   -0.4200    1.8800 H   0  0  0  0  0  0
   -0.0100    0.5200    1.4200 H   0  0  0  0  0  0
    0.4000   -3.1600    1.1800 H   0  0  0  0  0  0
    0.9100   -3.1500   -0.5400 H   0  0  0  0  0  0
    2.0000   -2.4800    0.7300 H   0  0  0  0  0  0
   -1.1200   -1.9800   -1.1400 H   0  0  0  0  0  0
   -2.6500   -2.3300    0.4600 H   0  0  0  0  0  0
   -1.1600    0.5000   -1.1500 H   0  0  0  0  0  0
   -1.7900    0.4800    0.5300 H   0  0  0  0  0  0
   -3.7500   -0.8100   -0.2100 H   0  0  0  0  0  0
   -3.1100   -0.8100   -1.8900 H   0  0  0  0  0  0
   -3.6500    1.5900   -2.1400 H   0  0  0  0  0  0
   -4.5900    1.1800    0.7900 H   0  0  0  0  0  0
   -4.9400    2.6700   -0.3500 H   0  0  0  0  0  0
    4.4200   -0.2900    0.5400 H   0  0  0  0  0  0
    4.9800    1.3900    0.8100 H   0  0  0  0  0  0
    4.9700    0.7000   -0.8500 H   0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
  2 14  1  0
 15  1  1  0
 16  1  1  0
 17  1  1  0
 18  4  1  0
 19  6  1  0
 20  6  1  0
 21  6  1  0
 22  7  1  0
 23  7  1  0
 24  7  1  0
 25  8  1  0
 26  9  1  0
 27 10  1  0
 28 10  1  0
 29 11  1  0
 30 11  1  0
 31 12  1  0
 32 13  1  0
 33 13  1  0
 34 14  1  0
 35 14  1  0
 36 14  1  0
M  END

$$$$