TDT2MOL 
OC1C=COC1*21F]
 12 12  0  0  0  0              0      
    1.6300    0.7300   -0.5200 O   0  0  0  1  0  0
    0.6600    0.2900    0.3000 C   0  0  0  1  0  0
   -0.6200    1.1000    0.0100 C   0  0  0  1  0  0
   -1.6300    0.2000   -0.0800 C   0  0  0  1  0  0
   -1.2100   -1.0800    0.1100 O   0  0  0  0  0  0
    0.1700   -1.1000    0.0700 C   0  0  0  1  0  0
    0.5100   -1.6100   -1.2000 R   0  0  0  0  0  0
    2.3800    0.1500   -0.4900 H   0  0  0  0  0  0
    0.9300    0.5000    1.3400 H   0  0  0  0  0  0
   -0.6600    2.1700   -0.0900 H   0  0  0  0  0  0
   -2.6600    0.4700   -0.2700 H   0  0  0  0  0  0
    0.5100   -1.8200    0.8200 H   0  0  0  0  0  0
  1  2  1  0
  2  6  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  8  1  1  0
  9  2  1  0
 10  3  1  0
 11  4  1  0
 12  6  1  0
M  END

$$$$