TDT2MOL 
CC(=O)NCC1=C(C)C(C=C1C)C(=O)C
 32 32  0  0  0  0              0      
   -4.0400    1.7000   -0.2700 C   0  0  0  3  0  0
   -3.2500    0.6400    0.4500 C   0  0  0  0  0  0
   -3.4700    0.4200    1.6600 O   0  0  0  0  0  0
   -2.2300   -0.1100   -0.2600 N   0  0  0  1  0  0
   -1.4700   -1.1300    0.4500 C   0  0  0  2  0  0
   -0.0400   -0.9900    0.1600 C   0  0  0  0  0  0
    0.5800    0.0700   -0.4400 C   0  0  0  0  0  0
   -0.1100    1.2800   -0.9100 C   0  0  0  3  0  0
    2.0800   -0.1700   -0.5600 C   0  0  0  1  0  0
    2.2400   -1.5600    0.0700 C   0  0  0  1  0  0
    1.0400   -2.0400    0.4800 C   0  0  0  0  0  0
    0.7700   -3.3300    1.1400 C   0  0  0  3  0  0
    2.8400    0.8300    0.2200 C   0  0  0  0  0  0
    3.1300    0.6100    1.4200 O   0  0  0  0  0  0
    3.2700    2.1300   -0.4000 C   0  0  0  3  0  0
   -4.4000    2.4400    0.4500 H   0  0  0  0  0  0
   -4.8900    1.2300   -0.7800 H   0  0  0  0  0  0
   -3.4000    2.1900   -1.0200 H   0  0  0  0  0  0
   -2.0500    0.0700   -1.2200 H   0  0  0  0  0  0
   -1.6600   -1.0200    1.5300 H   0  0  0  0  0  0
   -1.8400   -2.1200    0.1300 H   0  0  0  0  0  0
   -0.9900    1.5000   -0.2700 H   0  0  0  0  0  0
   -0.4600    1.1500   -1.9500 H   0  0  0  0  0  0
    0.5600    2.1600   -0.8800 H   0  0  0  0  0  0
    2.3700   -0.2100   -1.6100 H   0  0  0  0  0  0
    3.1800   -2.0800    0.1600 H   0  0  0  0  0  0
    0.5900   -4.1200    0.3800 H   0  0  0  0  0  0
   -0.1100   -3.2600    1.7900 H   0  0  0  0  0  0
    1.6400   -3.6400    1.7600 H   0  0  0  0  0  0
    3.0400    2.1100   -1.4800 H   0  0  0  0  0  0
    2.7200    2.9600    0.0700 H   0  0  0  0  0  0
    4.3500    2.2700   -0.2500 H   0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6 11  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
  9 13  1  0
 13 14  2  0
 13 15  1  0
 16  1  1  0
 17  1  1  0
 18  1  1  0
 19  4  1  0
 20  5  1  0
 21  5  1  0
 22  8  1  0
 23  8  1  0
 24  8  1  0
 25  9  1  0
 26 10  1  0
 27 12  1  0
 28 12  1  0
 29 12  1  0
 30 15  1  0
 31 15  1  0
 32 15  1  0
M  END

$$$$