TDT2MOL 
O=c1c2C3=C(Cc2nc4SCCCn41)CCCCC3
 37 40  0  0  0  0              0      
    1.1000    1.7800   -0.7300 O   0  0  0  0  0  0
    1.2700    0.6500   -0.2400 C   0  0  0  0  0  0
    0.2400   -0.1600    0.1500 C   0  0  0  0  0  0
   -1.2600    0.0800    0.0900 C   0  0  0  0  0  0
   -1.8800   -1.0300    0.6000 C   0  0  0  0  0  0
   -0.8700   -2.1100    1.0400 C   0  0  0  2  0  0
    0.4500   -1.4600    0.7100 C   0  0  0  0  0  0
    1.7400   -1.9400    0.8700 N   0  0  0  0  0  0
    2.7800   -1.1100    0.4700 C   0  0  0  0  0  0
    4.5100   -1.6400    0.6300 S   0  0  0  0  0  0
    5.5800   -0.3600   -0.0400 C   0  0  0  2  0  0
    4.8900    0.4700   -1.0900 C   0  0  0  2  0  0
    3.6500    1.0700   -0.5000 C   0  0  0  2  0  0
    2.6000    0.1700   -0.0800 N   0  0  0  0  0  0
   -3.3500   -1.2000    0.7200 C   0  0  0  2  0  0
   -4.1000   -0.5900   -0.4200 C   0  0  0  2  0  0
   -4.3800    0.8700   -0.2500 C   0  0  0  2  0  0
   -3.2000    1.6200    0.3000 C   0  0  0  2  0  0
   -1.9200    1.3100   -0.4100 C   0  0  0  2  0  0
   -0.9700   -2.2800    2.1000 H   0  0  0  0  0  0
   -1.0300   -3.0000    0.4400 H   0  0  0  0  0  0
    5.9000    0.2900    0.7900 H   0  0  0  0  0  0
    6.4800   -0.8300   -0.4800 H   0  0  0  0  0  0
    4.6100   -0.1700   -1.9400 H   0  0  0  0  0  0
    5.5700    1.2600   -1.4300 H   0  0  0  0  0  0
    3.9300    1.7000    0.3700 H   0  0  0  0  0  0
    3.1900    1.7500   -1.2600 H   0  0  0  0  0  0
   -3.6800   -0.7800    1.6900 H   0  0  0  0  0  0
   -3.5200   -2.3000    0.7800 H   0  0  0  0  0  0
   -5.0800   -1.1100   -0.5800 H   0  0  0  0  0  0
   -3.5500   -0.7800   -1.3700 H   0  0  0  0  0  0
   -5.2400    1.0400    0.4300 H   0  0  0  0  0  0
   -4.6900    1.3100   -1.2200 H   0  0  0  0  0  0
   -3.4300    2.7100    0.2600 H   0  0  0  0  0  0
   -3.0800    1.4100    1.3900 H   0  0  0  0  0  0
   -1.1800    2.1300   -0.2900 H   0  0  0  0  0  0
   -2.0900    1.2100   -1.5000 H   0  0  0  0  0  0
  1  2  2  0
  2 14  1  0
  2  3  1  0
  3  7  2  0
  3  4  1  0
  4 19  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 14  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
  5 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 20  6  1  0
 21  6  1  0
 22 11  1  0
 23 11  1  0
 24 12  1  0
 25 12  1  0
 26 13  1  0
 27 13  1  0
 28 15  1  0
 29 15  1  0
 30 16  1  0
 31 16  1  0
 32 17  1  0
 33 17  1  0
 34 18  1  0
 35 18  1  0
 36 19  1  0
 37 19  1  0
M  END

$$$$