TDT2MOL 
CC1C(C2CC1C=C2)C(=O)N3CCOC3=O
 31 33  0  0  0  0              0      
    1.6200   -1.9700    1.1300 C   0  0  0  3  0  0
    1.8200   -1.1400   -0.1000 C   0  0  0  1  0  0
    0.5500   -0.5000   -0.6300 C   0  0  0  1  0  0
    0.8000    1.0000   -0.4800 C   0  0  0  1  0  0
    1.6200    1.0400    0.8200 C   0  0  0  2  0  0
    2.6900    0.0600    0.2900 C   0  0  0  1  0  0
    3.0600    0.7700   -1.0300 C   0  0  0  1  0  0
    1.9100    1.3400   -1.5000 C   0  0  0  1  0  0
   -0.7000   -0.8300    0.1500 C   0  0  0  0  0  0
   -0.6400   -1.7100    1.0300 O   0  0  0  0  0  0
   -1.9000   -0.1400   -0.1200 N   0  0  0  0  0  0
   -3.1600   -0.4000    0.6500 C   0  0  0  2  0  0
   -4.0000    0.7200    0.0200 C   0  0  0  2  0  0
   -3.6800    0.6600   -1.2500 O   0  0  0  0  0  0
   -2.2300    0.9100   -1.0200 C   0  0  0  0  0  0
   -2.1300    1.7700   -1.7100 O   0  0  0  0  0  0
    1.1200   -1.3800    1.9100 H   0  0  0  0  0  0
    1.0000   -2.8500    0.8900 H   0  0  0  0  0  0
    2.5900   -2.3100    1.5100 H   0  0  0  0  0  0
    2.3500   -1.7500   -0.8500 H   0  0  0  0  0  0
    0.3300   -0.7400   -1.6800 H   0  0  0  0  0  0
   -0.0300    1.6600   -0.5100 H   0  0  0  0  0  0
    1.0800    0.6500    1.6800 H   0  0  0  0  0  0
    2.0200    2.0200    1.0400 H   0  0  0  0  0  0
    3.5100   -0.1100    0.9400 H   0  0  0  0  0  0
    4.0400    0.7900   -1.4700 H   0  0  0  0  0  0
    1.7800    1.9200   -2.4000 H   0  0  0  0  0  0
   -3.5100   -1.3800    0.3800 H   0  0  0  0  0  0
   -2.9800   -0.2500    1.7000 H   0  0  0  0  0  0
   -5.0700    0.4600    0.1000 H   0  0  0  0  0  0
   -3.8600    1.6700    0.5200 H   0  0  0  0  0  0
  1  2  1  0
  2  6  1  0
  2  3  1  0
  3  4  1  0
  4  8  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  3  9  1  0
  9 10  2  0
  9 11  1  0
 11 15  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 17  1  1  0
 18  1  1  0
 19  1  1  0
 20  2  1  0
 21  3  1  0
 22  4  1  0
 23  5  1  0
 24  5  1  0
 25  6  1  0
 26  7  1  0
 27  8  1  0
 28 12  1  0
 29 12  1  0
 30 13  1  0
 31 13  1  0
M  END

$$$$