TDT2MOL 
O=c1n2CCSc2nc3sc4CCCc4c13
 26 29  0  0  0  0              0      
    0.4700    1.6800   -0.5300 O   0  0  0  0  0  0
    0.8100    0.5500   -0.1400 C   0  0  0  0  0  0
    2.1600    0.2100    0.0000 N   0  0  0  0  0  0
    3.2500    1.1400   -0.3000 C   0  0  0  2  0  0
    4.5800    0.6400    0.1100 C   0  0  0  2  0  0
    4.3300   -1.1800    0.5100 S   0  0  0  0  0  0
    2.5100   -1.0900    0.4400 C   0  0  0  0  0  0
    1.5800   -2.0500    0.7500 N   0  0  0  0  0  0
    0.2500   -1.6800    0.6000 C   0  0  0  0  0  0
   -1.2000   -2.5700    0.8700 S   0  0  0  0  0  0
   -2.3100   -1.3700    0.4400 C   0  0  0  0  0  0
   -3.7900   -1.0200    0.3000 C   0  0  0  2  0  0
   -3.7400    0.2100   -0.5900 C   0  0  0  2  0  0
   -2.4200    0.9200   -0.3300 C   0  0  0  2  0  0
   -1.5000   -0.2400    0.0800 C   0  0  0  0  0  0
   -0.1600   -0.4200    0.1600 C   0  0  0  0  0  0
    2.9800    2.1000    0.1900 H   0  0  0  0  0  0
    3.1800    1.3300   -1.4000 H   0  0  0  0  0  0
    4.9700    1.0500    1.0500 H   0  0  0  0  0  0
    5.3700    0.6500   -0.6500 H   0  0  0  0  0  0
   -4.3200   -1.8700   -0.1200 H   0  0  0  0  0  0
   -4.1600   -0.7800    1.3000 H   0  0  0  0  0  0
   -4.5900    0.8800   -0.4000 H   0  0  0  0  0  0
   -3.7900   -0.1000   -1.6500 H   0  0  0  0  0  0
   -2.4800    1.5900    0.5300 H   0  0  0  0  0  0
   -1.9900    1.4300   -1.1900 H   0  0  0  0  0  0
  1  2  2  0
  2 16  1  0
  2  3  1  0
  3  7  1  0
  3  4  1  0
  4  5  1  0
  5  6  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
 17  4  1  0
 18  4  1  0
 19  5  1  0
 20  5  1  0
 21 12  1  0
 22 12  1  0
 23 13  1  0
 24 13  1  0
 25 14  1  0
 26 14  1  0
M  END

$$$$