TDT2MOL 
O=c1c2cnccc2c(C#N)c3sc4ccccc4n13
 27 30  0  0  0  0              0      
   -0.0400    2.2500    0.4500 O   0  0  0  0  0  0
    0.4200    1.1100    0.2300 C   0  0  0  0  0  0
    1.8000    0.9000    0.2100 C   0  0  0  0  0  0
    2.6600    1.9800    0.4400 C   0  0  0  1  0  0
    4.0500    1.7900    0.4200 N   0  0  0  0  0  0
    4.5800    0.5200    0.1700 C   0  0  0  1  0  0
    3.7200   -0.5700   -0.0500 C   0  0  0  1  0  0
    2.3300   -0.3700   -0.0400 C   0  0  0  0  0  0
    1.4700   -1.4500   -0.2600 C   0  0  0  0  0  0
    2.0100   -2.8200   -0.5300 C   0  0  0  0  0  0
    2.5400   -3.8100   -0.7900 N   0  0  0  0  0  0
    0.1100   -1.2300   -0.2400 C   0  0  0  0  0  0
   -1.2300   -2.2700   -0.4700 S   0  0  0  0  0  0
   -2.4700   -1.1100   -0.2500 C   0  0  0  0  0  0
   -3.8600   -1.2000   -0.2900 C   0  0  0  1  0  0
   -4.6200   -0.0500   -0.0800 C   0  0  0  1  0  0
   -3.9700    1.1700    0.1700 C   0  0  0  1  0  0
   -2.5700    1.2500    0.2100 C   0  0  0  1  0  0
   -1.8200    0.0900   -0.0100 C   0  0  0  0  0  0
   -0.4400    0.0200    0.0000 N   0  0  0  0  0  0
    2.2500    2.9800    0.6300 H   0  0  0  0  0  0
    5.6600    0.3600    0.1600 H   0  0  0  0  0  0
    4.1300   -1.5700   -0.2500 H   0  0  0  0  0  0
   -4.3400   -2.1700   -0.4900 H   0  0  0  0  0  0
   -5.7100   -0.1000   -0.1000 H   0  0  0  0  0  0
   -4.5700    2.0800    0.3500 H   0  0  0  0  0  0
   -2.0800    2.2100    0.4100 H   0  0  0  0  0  0
  1  2  2  0
  2 20  1  0
  2  3  1  0
  3  8  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  3  0
  9 12  2  0
 12 20  1  0
 12 13  1  0
 13 14  1  0
 14 19  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 21  4  1  0
 22  6  1  0
 23  7  1  0
 24 15  1  0
 25 16  1  0
 26 17  1  0
 27 18  1  0
M  END

$$$$