TDT2MOL 
CCC1C2CC(=CN2C1=O)SCCNC(=O)C
 35 36  0  0  0  0              0      
    5.6700    0.8300    1.0000 C   0  0  0  3  0  0
    5.0800   -0.4800    0.5700 C   0  0  0  2  0  0
    4.1300   -0.2700   -0.5200 C   0  0  0  1  0  0
    2.7500    0.1200   -0.2100 C   0  0  0  1  0  0
    1.8100    1.0800   -0.6700 C   0  0  0  2  0  0
    0.5200    0.2400   -0.9600 C   0  0  0  0  0  0
    0.8900   -1.0600   -1.1000 C   0  0  0  1  0  0
    2.2300   -1.2800   -0.8500 N   0  0  0  0  0  0
    3.5400   -1.7500   -0.8800 C   0  0  0  0  0  0
    4.3200   -2.6000   -1.0900 O   0  0  0  0  0  0
   -1.0700    0.9300   -1.1000 S   0  0  0  0  0  0
   -2.4000   -0.1000   -0.4800 C   0  0  0  2  0  0
   -3.6100    0.7600   -0.2400 C   0  0  0  2  0  0
   -4.7000   -0.0700    0.2500 N   0  0  0  1  0  0
   -5.9700    0.5400    0.6000 C   0  0  0  0  0  0
   -6.1300    1.7700    0.4700 O   0  0  0  0  0  0
   -7.0900   -0.3200    1.1200 C   0  0  0  3  0  0
    4.8700    1.5000    1.3600 H   0  0  0  0  0  0
    6.3900    0.6700    1.8200 H   0  0  0  0  0  0
    6.1800    1.3100    0.1500 H   0  0  0  0  0  0
    4.5900   -0.9500    1.4400 H   0  0  0  0  0  0
    5.8900   -1.1400    0.2200 H   0  0  0  0  0  0
    4.5500    0.1000   -1.4300 H   0  0  0  0  0  0
    2.5100   -0.1000    0.8700 H   0  0  0  0  0  0
    1.5100    1.9000   -0.0100 H   0  0  0  0  0  0
    2.0800    1.5000   -1.6600 H   0  0  0  0  0  0
    0.1400   -1.8200   -1.3400 H   0  0  0  0  0  0
   -2.1100   -0.5800    0.4600 H   0  0  0  0  0  0
   -2.6400   -0.8700   -1.2300 H   0  0  0  0  0  0
   -3.9200    1.2300   -1.1900 H   0  0  0  0  0  0
   -3.3700    1.5300    0.5000 H   0  0  0  0  0  0
   -4.5700   -1.0600    0.3600 H   0  0  0  0  0  0
   -7.9400   -0.2600    0.4300 H   0  0  0  0  0  0
   -7.4000    0.0400    2.1100 H   0  0  0  0  0  0
   -6.7500   -1.3600    1.2000 H   0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  9  1  0
  3  4  1  0
  4  8  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  6 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 18  1  1  0
 19  1  1  0
 20  1  1  0
 21  2  1  0
 22  2  1  0
 23  3  1  0
 24  4  1  0
 25  5  1  0
 26  5  1  0
 27  7  1  0
 28 12  1  0
 29 12  1  0
 30 13  1  0
 31 13  1  0
 32 14  1  0
 33 17  1  0
 34 17  1  0
 35 17  1  0
M  END

$$$$