TDT2MOL 
O=c1c2C3=C(CCC3)Cc2nc4SCCCn41
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    0.5200    2.0100    0.3600 O   0  0  0  0  0  0
    0.5800    0.7800    0.1700 C   0  0  0  0  0  0
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   -2.7100   -0.8500   -0.1900 C   0  0  0  0  0  0
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   -1.8100   -2.0300   -0.3400 C   0  0  0  2  0  0
   -0.4300   -1.4100   -0.1900 C   0  0  0  0  0  0
    0.8000   -2.0300   -0.2500 N   0  0  0  0  0  0
    1.9200   -1.2300   -0.0900 C   0  0  0  0  0  0
    3.5900   -1.9200   -0.1500 S   0  0  0  0  0  0
    4.7900   -0.5900    0.0200 C   0  0  0  2  0  0
    4.2500    0.7400   -0.4500 C   0  0  0  2  0  0
    2.9900    1.0400    0.3100 C   0  0  0  2  0  0
    1.8600    0.1600    0.1200 N   0  0  0  0  0  0
   -4.5000   -0.4700   -1.2400 H   0  0  0  0  0  0
   -4.7500   -1.3300    0.3100 H   0  0  0  0  0  0
   -5.1100    1.3900    0.1700 H   0  0  0  0  0  0
   -4.3100    0.6600    1.5900 H   0  0  0  0  0  0
   -2.9900    2.0100   -0.8100 H   0  0  0  0  0  0
   -2.6000    2.2000    0.9200 H   0  0  0  0  0  0
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   -1.9000   -2.4900   -1.3200 H   0  0  0  0  0  0
    5.6900   -0.8400   -0.5700 H   0  0  0  0  0  0
    5.0700   -0.5100    1.0800 H   0  0  0  0  0  0
    4.9900    1.5200   -0.2900 H   0  0  0  0  0  0
    4.0100    0.6700   -1.5300 H   0  0  0  0  0  0
    3.2300    1.0800    1.3900 H   0  0  0  0  0  0
    2.6400    2.0600    0.0200 H   0  0  0  0  0  0
  1  2  2  0
  2 17  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 17  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 18  6  1  0
 19  6  1  0
 20  7  1  0
 21  7  1  0
 22  8  1  0
 23  8  1  0
 24  9  1  0
 25  9  1  0
 26 14  1  0
 27 14  1  0
 28 15  1  0
 29 15  1  0
 30 16  1  0
 31 16  1  0
M  END

$$$$