TDT2MOL 
CC1CCC2=C(Cc3nc4SCCCn4c(=O)c23)C1
 37 40  0  0  0  0              0      
    5.3400   -0.2200    0.3100 C   0  0  0  3  0  0
    3.8800    0.1100    0.3400 C   0  0  0  1  0  0
    3.1700   -0.7800    1.3300 C   0  0  0  2  0  0
    1.7400   -0.3400    1.4900 C   0  0  0  2  0  0
    1.0900   -0.1300    0.1800 C   0  0  0  0  0  0
    1.8000   -0.0100   -1.0000 C   0  0  0  0  0  0
    0.8900    0.2000   -2.2000 C   0  0  0  2  0  0
   -0.4900    0.1800   -1.5700 C   0  0  0  0  0  0
   -1.7300    0.3100   -2.1500 N   0  0  0  0  0  0
   -2.8400    0.2500   -1.3200 C   0  0  0  0  0  0
   -4.5200    0.4200   -1.9800 S   0  0  0  0  0  0
   -5.6900    0.3200   -0.6200 C   0  0  0  2  0  0
   -5.1000    0.7900    0.6800 C   0  0  0  2  0  0
   -3.8800   -0.0300    0.9900 C   0  0  0  2  0  0
   -2.7600    0.0600    0.0700 N   0  0  0  0  0  0
   -1.4800   -0.0800    0.6600 C   0  0  0  0  0  0
   -1.3900   -0.2500    1.8900 O   0  0  0  0  0  0
   -0.3700   -0.0200   -0.1500 C   0  0  0  0  0  0
    3.2800   -0.0800   -1.0300 C   0  0  0  2  0  0
    5.7700   -0.0900    1.3100 H   0  0  0  0  0  0
    5.4700   -1.2600   -0.0100 H   0  0  0  0  0  0
    5.8500    0.4500   -0.4000 H   0  0  0  0  0  0
    3.7600    1.1600    0.6600 H   0  0  0  0  0  0
    3.2100   -1.8200    0.9700 H   0  0  0  0  0  0
    3.6800   -0.7500    2.3100 H   0  0  0  0  0  0
    1.7100    0.6200    2.0400 H   0  0  0  0  0  0
    1.1800   -1.0800    2.0900 H   0  0  0  0  0  0
    1.0900    1.1700   -2.6500 H   0  0  0  0  0  0
    1.0000   -0.6200   -2.9000 H   0  0  0  0  0  0
   -6.5800    0.9400   -0.8600 H   0  0  0  0  0  0
   -6.0100   -0.7300   -0.5100 H   0  0  0  0  0  0
   -4.8100    1.8500    0.5900 H   0  0  0  0  0  0
   -5.8400    0.6800    1.4800 H   0  0  0  0  0  0
   -3.4900    0.2700    1.9900 H   0  0  0  0  0  0
   -4.1800   -1.0900    1.0700 H   0  0  0  0  0  0
    3.6900    0.6700   -1.7200 H   0  0  0  0  0  0
    3.5500   -1.0800   -1.4200 H   0  0  0  0  0  0
  1  2  1  0
  2 19  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5 18  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8 18  2  0
  8  9  1  0
  9 10  2  0
 10 15  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
  6 19  1  0
 20  1  1  0
 21  1  1  0
 22  1  1  0
 23  2  1  0
 24  3  1  0
 25  3  1  0
 26  4  1  0
 27  4  1  0
 28  7  1  0
 29  7  1  0
 30 12  1  0
 31 12  1  0
 32 13  1  0
 33 13  1  0
 34 14  1  0
 35 14  1  0
 36 19  1  0
 37 19  1  0
M  END

$$$$