TDT2MOL 
CC1CCCC=C1C
 22 22  0  0  0  0              0      
   -0.5300   -2.0500    0.4500 C   0  0  0  3  0  0
    0.1100   -0.8800   -0.2400 C   0  0  0  1  0  0
    1.3900   -0.5000    0.4400 C   0  0  0  2  0  0
    1.9200    0.7700   -0.1500 C   0  0  0  2  0  0
    0.9900    1.9100    0.1500 C   0  0  0  2  0  0
   -0.4500    1.5500   -0.1100 C   0  0  0  1  0  0
   -0.8500    0.2800   -0.2800 C   0  0  0  0  0  0
   -2.3100   -0.0100   -0.5300 C   0  0  0  3  0  0
    0.1700   -2.9000    0.4400 H   0  0  0  0  0  0
   -1.4600   -2.3300   -0.0700 H   0  0  0  0  0  0
   -0.7700   -1.7700    1.4900 H   0  0  0  0  0  0
    0.3200   -1.1600   -1.2900 H   0  0  0  0  0  0
    1.2200   -0.3500    1.5200 H   0  0  0  0  0  0
    2.1300   -1.3100    0.3300 H   0  0  0  0  0  0
    2.0400    0.6400   -1.2400 H   0  0  0  0  0  0
    2.9300    0.9900    0.2600 H   0  0  0  0  0  0
    1.0600    2.1800    1.2200 H   0  0  0  0  0  0
    1.2500    2.8000   -0.4400 H   0  0  0  0  0  0
   -1.1900    2.3600   -0.1600 H   0  0  0  0  0  0
   -2.4300   -0.3900   -1.5500 H   0  0  0  0  0  0
   -2.6600   -0.7600    0.1900 H   0  0  0  0  0  0
   -2.8800    0.9200   -0.4100 H   0  0  0  0  0  0
  1  2  1  0
  2  7  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  9  1  1  0
 10  1  1  0
 11  1  1  0
 12  2  1  0
 13  3  1  0
 14  3  1  0
 15  4  1  0
 16  4  1  0
 17  5  1  0
 18  5  1  0
 19  6  1  0
 20  8  1  0
 21  8  1  0
 22  8  1  0
M  END

$$$$