TDT2MOL 
CCOC(=O)c1nc(SC)sc1S*21F]
 22 22  0  0  0  0              0      
   -4.3900   -0.0900   -0.2900 C   0  0  0  3  0  0
   -3.2100    0.6900    0.2100 C   0  0  0  2  0  0
   -2.0800   -0.0100   -0.0300 O   0  0  0  0  0  0
   -1.0200    0.6900    0.4200 C   0  0  0  0  0  0
   -1.1600    1.8600    0.8300 O   0  0  0  0  0  0
    0.3300    0.0300    0.4100 C   0  0  0  0  0  0
    1.4700    0.6700    0.8500 N   0  0  0  0  0  0
    2.6500   -0.0400    0.7900 C   0  0  0  0  0  0
    4.2800    0.5000    1.2900 S   0  0  0  0  0  0
    5.4100    0.4500   -0.1100 C   0  0  0  3  0  0
    2.2000   -1.5800    0.1300 S   0  0  0  0  0  0
    0.5100   -1.2900   -0.0600 C   0  0  0  0  0  0
   -0.7400   -2.3900   -0.7000 S   0  0  0  0  0  0
   -0.6500   -2.4600   -2.2900 R   0  0  0  0  0  0
   -4.4400   -1.0600    0.2400 H   0  0  0  0  0  0
   -4.2900   -0.2700   -1.3700 H   0  0  0  0  0  0
   -5.3100    0.4700   -0.1000 H   0  0  0  0  0  0
   -3.3200    0.8700    1.2900 H   0  0  0  0  0  0
   -3.1700    1.6600   -0.3200 H   0  0  0  0  0  0
    5.0400    1.1100   -0.9100 H   0  0  0  0  0  0
    6.4100    0.7800    0.2100 H   0  0  0  0  0  0
    5.4700   -0.5800   -0.4900 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 12  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  8 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 10  1  0
 21 10  1  0
 22 10  1  0
M  END

$$$$