TDT2MOL 
CC1=NCCS1
 13 13  0  0  0  0              0      
   -2.3100   -0.2000   -0.2600 C   0  0  0  3  0  0
   -0.8500   -0.1000   -0.1100 C   0  0  0  0  0  0
   -0.2000    0.8300    0.4300 N   0  0  0  0  0  0
    1.2700    0.7800    0.5000 C   0  0  0  2  0  0
    1.8600   -0.4400   -0.1100 C   0  0  0  2  0  0
    0.3500   -1.3700   -0.7100 S   0  0  0  0  0  0
   -2.7800   -0.4400    0.7100 H   0  0  0  0  0  0
   -2.5700   -1.0000   -0.9800 H   0  0  0  0  0  0
   -2.7300    0.7500   -0.6300 H   0  0  0  0  0  0
    1.5200    0.8800    1.5800 H   0  0  0  0  0  0
    1.6200    1.7200    0.0200 H   0  0  0  0  0  0
    2.4600   -0.2800   -1.0100 H   0  0  0  0  0  0
    2.3600   -1.1300    0.5600 H   0  0  0  0  0  0
  1  2  1  0
  2  6  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  7  1  1  0
  8  1  1  0
  9  1  1  0
 10  4  1  0
 11  4  1  0
 12  5  1  0
 13  5  1  0
M  END

$$$$