TDT2MOL 
CC1=NCCCS1
 16 16  0  0  0  0              0      
    2.7100   -0.1400   -0.4700 C   0  0  0  3  0  0
    1.2400   -0.1200   -0.2400 C   0  0  0  0  0  0
    0.7100    0.1100    0.8600 N   0  0  0  0  0  0
   -0.6500    0.1700    1.3000 C   0  0  0  2  0  0
   -1.6900    0.5800    0.2800 C   0  0  0  2  0  0
   -1.6200   -0.3900   -0.8700 C   0  0  0  2  0  0
    0.0500   -0.4500   -1.5700 S   0  0  0  0  0  0
    3.0400    0.8300   -0.8700 H   0  0  0  0  0  0
    3.2400   -0.3500    0.4700 H   0  0  0  0  0  0
    2.9500   -0.9300   -1.2000 H   0  0  0  0  0  0
   -0.9300   -0.8400    1.6800 H   0  0  0  0  0  0
   -0.7200    0.8700    2.1500 H   0  0  0  0  0  0
   -2.6900    0.5600    0.7300 H   0  0  0  0  0  0
   -1.4600    1.5900   -0.0800 H   0  0  0  0  0  0
   -1.8800   -1.4000   -0.5200 H   0  0  0  0  0  0
   -2.3200   -0.0800   -1.6500 H   0  0  0  0  0  0
  1  2  1  0
  2  7  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  8  1  1  0
  9  1  1  0
 10  1  1  0
 11  4  1  0
 12  4  1  0
 13  5  1  0
 14  5  1  0
 15  6  1  0
 16  6  1  0
M  END

$$$$