TDT2MOL 
CCOC(=NS(=O)(=O)C)C1C(COC)CCC1COC
 45 45  0  0  0  0              0      
    2.7700    2.0800    2.7900 C   0  0  0  3  0  0
    1.6300    1.8400    1.8400 C   0  0  0  2  0  0
    1.8900    0.7500    1.0800 O   0  0  0  0  0  0
    0.8700    0.5400    0.2300 C   0  0  0  0  0  0
    0.9900    0.8200   -0.9800 N   0  0  0  0  0  0
    2.4900    1.5000   -1.5900 S   0  0  0  0  0  0
    3.4300    1.6400   -0.4900 O   0  0  0  0  0  0
    2.2300    2.8000   -2.1800 O   0  0  0  0  0  0
    3.1800    0.4000   -2.8400 C   0  0  0  3  0  0
   -0.4200   -0.0300    0.7400 C   0  0  0  1  0  0
   -1.6000    0.7000    0.0800 C   0  0  0  1  0  0
   -2.8700    0.2900    0.7600 C   0  0  0  2  0  0
   -3.9200    1.0600    0.4600 O   0  0  0  0  0  0
   -3.9600    1.5900   -0.7600 C   0  0  0  3  0  0
   -1.5000    0.2000   -1.3500 C   0  0  0  2  0  0
   -0.8700   -1.1800   -1.2800 C   0  0  0  2  0  0
   -0.6000   -1.4400    0.1800 C   0  0  0  1  0  0
    0.6100   -2.2800    0.4700 C   0  0  0  2  0  0
    0.4400   -3.5200   -0.0100 O   0  0  0  0  0  0
   -0.4200   -4.2500    0.7300 C   0  0  0  3  0  0
    3.7000    2.2400    2.2100 H   0  0  0  0  0  0
    2.9000    1.2000    3.4400 H   0  0  0  0  0  0
    2.5600    2.9600    3.4000 H   0  0  0  0  0  0
    1.5000    2.7200    1.1900 H   0  0  0  0  0  0
    0.7100    1.6700    2.4100 H   0  0  0  0  0  0
    2.4600    0.2900   -3.6700 H   0  0  0  0  0  0
    4.1200    0.8200   -3.2200 H   0  0  0  0  0  0
    3.3700   -0.5900   -2.3900 H   0  0  0  0  0  0
   -0.4600    0.0100    1.8200 H   0  0  0  0  0  0
   -1.4600    1.7700    0.2100 H   0  0  0  0  0  0
   -3.1100   -0.7600    0.5300 H   0  0  0  0  0  0
   -2.7500    0.3600    1.8700 H   0  0  0  0  0  0
   -4.6500    2.4600   -0.7600 H   0  0  0  0  0  0
   -2.9700    1.9600   -1.0700 H   0  0  0  0  0  0
   -4.3300    0.8600   -1.4900 H   0  0  0  0  0  0
   -2.5000    0.1800   -1.8300 H   0  0  0  0  0  0
   -0.9000    0.9200   -1.9500 H   0  0  0  0  0  0
   -1.5000   -1.9800   -1.7100 H   0  0  0  0  0  0
    0.0800   -1.2200   -1.8600 H   0  0  0  0  0  0
   -1.4700   -1.8900    0.6800 H   0  0  0  0  0  0
    1.4800   -1.8200   -0.0300 H   0  0  0  0  0  0
    0.7900   -2.2900    1.5500 H   0  0  0  0  0  0
   -0.3600   -5.3000    0.4000 H   0  0  0  0  0  0
   -1.4500   -3.8900    0.5900 H   0  0  0  0  0  0
   -0.1500   -4.2000    1.8000 H   0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  2  0
  6  9  1  0
  4 10  1  0
 10 17  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 11 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 21  1  1  0
 22  1  1  0
 23  1  1  0
 24  2  1  0
 25  2  1  0
 26  9  1  0
 27  9  1  0
 28  9  1  0
 29 10  1  0
 30 11  1  0
 31 12  1  0
 32 12  1  0
 33 14  1  0
 34 14  1  0
 35 14  1  0
 36 15  1  0
 37 15  1  0
 38 16  1  0
 39 16  1  0
 40 17  1  0
 41 18  1  0
 42 18  1  0
 43 20  1  0
 44 20  1  0
 45 20  1  0
M  END

$$$$