TDT2MOL 
*c1sc(*)c2C(=O)CCCc12Cc12Cc12
 18 19  0  0  0  0              0      
    1.7400    2.9100   -0.7300 R   0  0  0  0  0  0
    1.7400    1.5700   -0.6300 C   0  0  0  0  0  0
    3.0300    0.4800   -1.0200 S   0  0  0  0  0  0
    2.2300   -1.0000   -0.6200 C   0  0  0  0  0  0
    2.7200   -2.2500   -0.7100 R   0  0  0  0  0  0
    0.9700   -0.6100   -0.1900 C   0  0  0  0  0  0
   -0.1100   -1.5700    0.2700 C   0  0  0  0  0  0
    0.1200   -2.7900    0.2400 O   0  0  0  0  0  0
   -1.4100   -1.0000    0.7400 C   0  0  0  2  0  0
   -1.7000    0.2700   -0.0100 C   0  0  0  2  0  0
   -0.6400    1.2900    0.2500 C   0  0  0  2  0  0
    0.7100    0.7500   -0.2000 C   0  0  0  0  0  0
   -1.3400   -0.7700    1.8200 H   0  0  0  0  0  0
   -2.2100   -1.7300    0.5700 H   0  0  0  0  0  0
   -2.6700    0.6700    0.3200 H   0  0  0  0  0  0
   -1.7500    0.0500   -1.0900 H   0  0  0  0  0  0
   -0.8400    2.2000   -0.3200 H   0  0  0  0  0  0
   -0.5900    1.5200    1.3200 H   0  0  0  0  0  0
  1  2  1  0
  2 12  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6 12  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 13  9  1  0
 14  9  1  0
 15 10  1  0
 16 10  1  0
 17 11  1  0
 18 11  1  0
M  END

$$$$