TDT2MOL 
CSC1=NCCCN1
 18 18  0  0  0  0              0      
    3.3100   -0.7900   -0.2900 C   0  0  0  3  0  0
    1.8100   -1.7300    0.0200 S   0  0  0  0  0  0
    0.3900   -0.6100    0.0700 C   0  0  0  0  0  0
    0.4500    0.4700   -0.5500 N   0  0  0  0  0  0
   -0.6400    1.4200   -0.5600 C   0  0  0  2  0  0
   -1.9400    0.6800   -0.4200 C   0  0  0  2  0  0
   -1.9300   -0.1100    0.8600 C   0  0  0  2  0  0
   -0.7800   -1.0100    0.8300 N   0  0  0  1  0  0
    3.4500   -0.0400    0.5100 H   0  0  0  0  0  0
    3.2200   -0.2700   -1.2600 H   0  0  0  0  0  0
    4.1700   -1.4700   -0.3200 H   0  0  0  0  0  0
   -0.6400    1.9800   -1.5000 H   0  0  0  0  0  0
   -0.5300    2.1200    0.2900 H   0  0  0  0  0  0
   -2.7800    1.3900   -0.4000 H   0  0  0  0  0  0
   -2.0600   -0.0100   -1.2700 H   0  0  0  0  0  0
   -1.8300    0.5700    1.7200 H   0  0  0  0  0  0
   -2.8500   -0.7000    0.9500 H   0  0  0  0  0  0
   -0.8100   -1.8800    1.3100 H   0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  8  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  9  1  1  0
 10  1  1  0
 11  1  1  0
 12  5  1  0
 13  5  1  0
 14  6  1  0
 15  6  1  0
 16  7  1  0
 17  7  1  0
 18  8  1  0
M  END

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