TDT2MOL 
CCC1=CC(C(=O)C)C(=C1NC(=O)C)CC
 35 35  0  0  0  0              0      
    0.2500    3.4200    1.8300 C   0  0  0  3  0  0
    0.3600    3.1700    0.3500 C   0  0  0  2  0  0
   -0.1600    1.8400    0.0200 C   0  0  0  0  0  0
   -1.3000    1.4700   -0.5800 C   0  0  0  1  0  0
   -1.3900   -0.0400   -0.7100 C   0  0  0  1  0  0
   -1.4500   -0.4400   -2.1300 C   0  0  0  0  0  0
   -0.5400   -0.1200   -2.9300 O   0  0  0  0  0  0
   -2.6100   -1.2600   -2.6400 C   0  0  0  3  0  0
   -0.0800   -0.5100   -0.0700 C   0  0  0  0  0  0
    0.6500    0.5300    0.3500 C   0  0  0  0  0  0
    1.7900    0.8000    0.9400 N   0  0  0  1  0  0
    2.7000   -0.2500    1.3500 C   0  0  0  0  0  0
    3.5700    0.4500    1.8200 O   0  0  0  0  0  0
    2.7600   -1.7100    1.3100 C   0  0  0  3  0  0
    0.1600   -1.9700   -0.0300 C   0  0  0  2  0  0
   -1.1500   -2.6900   -0.2600 C   0  0  0  3  0  0
    0.6400    4.4200    2.0800 H   0  0  0  0  0  0
    0.8300    2.6600    2.3700 H   0  0  0  0  0  0
   -0.8000    3.3500    2.1400 H   0  0  0  0  0  0
   -0.2100    3.9600   -0.1800 H   0  0  0  0  0  0
    1.4200    3.2600    0.0600 H   0  0  0  0  0  0
   -2.0700    2.1500   -0.9300 H   0  0  0  0  0  0
   -2.2300   -0.4200   -0.1200 H   0  0  0  0  0  0
   -3.2700   -1.5200   -1.8000 H   0  0  0  0  0  0
   -3.1700   -0.6700   -3.3800 H   0  0  0  0  0  0
   -2.2300   -2.1800   -3.1100 H   0  0  0  0  0  0
    2.1200    1.7300    1.1500 H   0  0  0  0  0  0
    2.4500   -2.1100    0.3400 H   0  0  0  0  0  0
    2.1500   -2.1600    2.1200 H   0  0  0  0  0  0
    3.8100   -2.0400    1.4800 H   0  0  0  0  0  0
    0.5600   -2.2700    0.9400 H   0  0  0  0  0  0
    0.8500   -2.2600   -0.8400 H   0  0  0  0  0  0
   -0.9800   -3.7800   -0.2300 H   0  0  0  0  0  0
   -1.5600   -2.4100   -1.2400 H   0  0  0  0  0  0
   -1.8600   -2.4100    0.5300 H   0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3 10  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
  9 15  1  0
 15 16  1  0
 17  1  1  0
 18  1  1  0
 19  1  1  0
 20  2  1  0
 21  2  1  0
 22  4  1  0
 23  5  1  0
 24  8  1  0
 25  8  1  0
 26  8  1  0
 27 11  1  0
 28 14  1  0
 29 14  1  0
 30 14  1  0
 31 15  1  0
 32 15  1  0
 33 16  1  0
 34 16  1  0
 35 16  1  0
M  END

$$$$