TDT2MOL 
CCOC(=O)n1cnc2sc3CCCc3c2c1=O
 30 32  0  0  0  0              0      
    4.5100    1.3000   -0.1100 C   0  0  0  3  0  0
    4.0500    0.5100   -1.3000 C   0  0  0  2  0  0
    2.7600    0.1400   -1.1300 O   0  0  0  0  0  0
    2.6700   -0.6400   -0.0300 C   0  0  0  0  0  0
    3.7000   -1.1500    0.4600 O   0  0  0  0  0  0
    1.3800   -0.9000    0.5800 N   0  0  0  0  0  0
    1.3000   -1.7000    1.7200 C   0  0  0  1  0  0
    0.0500   -1.9500    2.3100 N   0  0  0  0  0  0
   -1.0800   -1.3800    1.7400 C   0  0  0  0  0  0
   -2.7400   -1.4500    2.1700 S   0  0  0  0  0  0
   -3.3600   -0.4900    0.9400 C   0  0  0  0  0  0
   -4.6200    0.1200    0.3300 C   0  0  0  2  0  0
   -4.1600    0.5100   -1.0600 C   0  0  0  2  0  0
   -2.6700    0.7900   -0.9900 C   0  0  0  2  0  0
   -2.2100   -0.1000    0.1600 C   0  0  0  0  0  0
   -1.0200   -0.5800    0.6000 C   0  0  0  0  0  0
    0.2300   -0.3400    0.0100 C   0  0  0  0  0  0
    0.3200    0.3800   -1.0100 O   0  0  0  0  0  0
    3.8700    2.1900    0.0200 H   0  0  0  0  0  0
    4.4500    0.6800    0.8000 H   0  0  0  0  0  0
    5.5500    1.6300   -0.2600 H   0  0  0  0  0  0
    4.6800   -0.3800   -1.4200 H   0  0  0  0  0  0
    4.1200    1.1400   -2.2000 H   0  0  0  0  0  0
    2.2000   -2.1400    2.1600 H   0  0  0  0  0  0
   -5.4300   -0.6000    0.3600 H   0  0  0  0  0  0
   -4.8700    1.0100    0.9300 H   0  0  0  0  0  0
   -4.7200    1.3700   -1.4500 H   0  0  0  0  0  0
   -4.3400   -0.3400   -1.7600 H   0  0  0  0  0  0
   -2.4700    1.8300   -0.6900 H   0  0  0  0  0  0
   -2.1100    0.5400   -1.8900 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 17  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 16  2  0
  9 10  1  0
 10 11  1  0
 11 15  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 19  1  1  0
 20  1  1  0
 21  1  1  0
 22  2  1  0
 23  2  1  0
 24  7  1  0
 25 12  1  0
 26 12  1  0
 27 13  1  0
 28 13  1  0
 29 14  1  0
 30 14  1  0
M  END

$$$$