TDT2MOL 
OC1C(*)O=CC1ICC1I
 13 13  0  0  0  0              0      
    0.6300   -1.8300    0.0700 O   0  0  0  1  0  0
    0.2000   -0.6200    0.4200 C   0  0  0  1  0  0
    1.1500    0.5000    0.0500 C   0  0  0  1  0  0
    1.7600    0.2700   -1.1900 R   0  0  0  0  0  0
    0.3500    1.6200   -0.1200 O   0  0  0  0  0  0
   -0.8700    1.3200   -0.3200 C   0  0  0  1  0  0
   -1.0700   -0.2000   -0.3000 C   0  0  0  1  0  0
   -2.9100   -0.7100    0.6200 I   0  0  0  0  0  0
    1.5400   -1.9500    0.2900 H   0  0  0  0  0  0
    0.0200   -0.6000    1.5100 H   0  0  0  0  0  0
    1.9100    0.7200    0.8000 H   0  0  0  0  0  0
   -1.6600    2.0200   -0.4800 H   0  0  0  0  0  0
   -1.0400   -0.5300   -1.3500 H   0  0  0  0  0  0
  1  2  1  0
  2  7  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  9  1  1  0
 10  2  1  0
 11  3  1  0
 12  6  1  0
 13  7  1  0
M  END

$$$$