TDT2MOL 
C1OC12CCCCC2
 20 21  0  0  0  0              0      
    2.4400   -0.2300   -0.1200 C   0  0  0  2  0  0
    1.6900    0.1100   -1.1800 O   0  0  0  0  0  0
    1.0100   -0.1000   -0.0500 C   0  0  0  0  0  0
    0.1800   -1.3000    0.0100 C   0  0  0  2  0  0
   -1.1800   -1.0000   -0.5700 C   0  0  0  2  0  0
   -1.8000    0.1500    0.1600 C   0  0  0  2  0  0
   -0.9300    1.3700    0.0200 C   0  0  0  2  0  0
    0.4300    1.0800    0.6000 C   0  0  0  2  0  0
    2.8600   -1.2200   -0.1800 H   0  0  0  0  0  0
    3.0600    0.5600    0.2600 H   0  0  0  0  0  0
    0.6200   -2.1500   -0.5400 H   0  0  0  0  0  0
    0.0400   -1.6100    1.0700 H   0  0  0  0  0  0
   -1.8300   -1.8900   -0.4800 H   0  0  0  0  0  0
   -1.0700   -0.7400   -1.6300 H   0  0  0  0  0  0
   -1.9100   -0.1000    1.2300 H   0  0  0  0  0  0
   -2.7900    0.3700   -0.2600 H   0  0  0  0  0  0
   -0.8200    1.6100   -1.0500 H   0  0  0  0  0  0
   -1.3900    2.2200    0.5400 H   0  0  0  0  0  0
    0.3200    0.8800    1.6900 H   0  0  0  0  0  0
    1.0600    1.9800    0.4900 H   0  0  0  0  0  0
  1  3  1  0
  1  2  1  0
  2  3  1  0
  3  8  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  9  1  1  0
 10  1  1  0
 11  4  1  0
 12  4  1  0
 13  5  1  0
 14  5  1  0
 15  6  1  0
 16  6  1  0
 17  7  1  0
 18  7  1  0
 19  8  1  0
 20  8  1  0
M  END

$$$$