TDT2MOL 
CCOC(=O)c1c(N)sc2CCCc12
 27 28  0  0  0  0              0      
   -4.4800    0.3600    0.0900 C   0  0  0  3  0  0
   -3.1500    0.1600    0.7600 C   0  0  0  2  0  0
   -2.1900    0.1200   -0.1900 O   0  0  0  0  0  0
   -0.9900   -0.0600    0.4000 C   0  0  0  0  0  0
   -0.9100   -0.2300    1.6300 O   0  0  0  0  0  0
    0.2400   -0.0300   -0.4600 C   0  0  0  0  0  0
    0.1800    0.1700   -1.8500 C   0  0  0  0  0  0
   -0.9700    0.3700   -2.6200 N   0  0  0  2  0  0
    1.8200    0.1200   -2.3900 S   0  0  0  0  0  0
    2.5700   -0.1400   -0.9100 C   0  0  0  0  0  0
    3.9000   -0.3500   -0.1900 C   0  0  0  2  0  0
    3.5300   -0.0900    1.2600 C   0  0  0  2  0  0
    2.0600   -0.4300    1.4300 C   0  0  0  2  0  0
    1.4900   -0.1900    0.0300 C   0  0  0  0  0  0
   -4.4800    1.3100   -0.4600 H   0  0  0  0  0  0
   -5.2700    0.3900    0.8600 H   0  0  0  0  0  0
   -4.6800   -0.4700   -0.6000 H   0  0  0  0  0  0
   -2.9600    0.9900    1.4500 H   0  0  0  0  0  0
   -3.1600   -0.7900    1.3100 H   0  0  0  0  0  0
   -0.8600    0.4900   -3.6100 H   0  0  0  0  0  0
   -1.8700    0.3800   -2.2100 H   0  0  0  0  0  0
    4.6400    0.3300   -0.6100 H   0  0  0  0  0  0
    4.2000   -1.3900   -0.3600 H   0  0  0  0  0  0
    4.1700   -0.6600    1.9500 H   0  0  0  0  0  0
    3.6800    0.9900    1.4900 H   0  0  0  0  0  0
    1.9200   -1.5000    1.6500 H   0  0  0  0  0  0
    1.5200    0.1700    2.1500 H   0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6 14  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 14  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 15  1  1  0
 16  1  1  0
 17  1  1  0
 18  2  1  0
 19  2  1  0
 20  8  1  0
 21  8  1  0
 22 11  1  0
 23 11  1  0
 24 12  1  0
 25 12  1  0
 26 13  1  0
 27 13  1  0
M  END

$$$$