TDT2MOL 
O=c1c2C3=C(CCC3)Cc2nc4SCCn41
 28 31  0  0  0  0              0      
   -0.6400   -2.0200    0.9300 O   0  0  0  0  0  0
   -0.9300   -0.9400    0.3900 C   0  0  0  0  0  0
    0.0300   -0.0100    0.0400 C   0  0  0  0  0  0
    1.5000   -0.0300    0.2000 C   0  0  0  0  0  0
    2.0100    1.1900   -0.3300 C   0  0  0  0  0  0
    3.4900    1.2100   -0.2000 C   0  0  0  2  0  0
    3.8400   -0.2600    0.0100 C   0  0  0  2  0  0
    2.6200   -0.8600    0.7000 C   0  0  0  2  0  0
    0.9200    2.0600   -0.8600 C   0  0  0  2  0  0
   -0.3300    1.2400   -0.5900 C   0  0  0  0  0  0
   -1.6400    1.5600   -0.8700 N   0  0  0  0  0  0
   -2.5800    0.6200   -0.5200 C   0  0  0  0  0  0
   -4.3900    0.7000   -0.7300 S   0  0  0  0  0  0
   -4.7100   -0.9200    0.1700 C   0  0  0  2  0  0
   -3.3700   -1.5100    0.4200 C   0  0  0  2  0  0
   -2.2600   -0.6100    0.1000 N   0  0  0  0  0  0
    3.9800    1.6500   -1.0700 H   0  0  0  0  0  0
    3.7500    1.8000    0.7000 H   0  0  0  0  0  0
    4.7500   -0.4000    0.5900 H   0  0  0  0  0  0
    3.9800   -0.7500   -0.9700 H   0  0  0  0  0  0
    2.6900   -0.7300    1.7900 H   0  0  0  0  0  0
    2.4700   -1.9200    0.4800 H   0  0  0  0  0  0
    1.0200    2.2400   -1.9300 H   0  0  0  0  0  0
    0.8600    3.0000   -0.3000 H   0  0  0  0  0  0
   -5.2600   -0.6000    1.0700 H   0  0  0  0  0  0
   -5.3800   -1.4700   -0.4900 H   0  0  0  0  0  0
   -3.2000   -2.4200   -0.2000 H   0  0  0  0  0  0
   -3.2300   -1.8300    1.4700 H   0  0  0  0  0  0
  1  2  2  0
  2 16  1  0
  2  3  1  0
  3 10  2  0
  3  4  1  0
  4  8  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 16  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 17  6  1  0
 18  6  1  0
 19  7  1  0
 20  7  1  0
 21  8  1  0
 22  8  1  0
 23  9  1  0
 24  9  1  0
 25 14  1  0
 26 14  1  0
 27 15  1  0
 28 15  1  0
M  END

$$$$