TDT2MOL 
CSC1=Nc2sc3CCCCCc3c2C4=NC(=O)CN41
 35 38  0  0  0  0              0      
    5.4500    0.9900    1.6200 C   0  0  0  3  0  0
    4.4800   -0.4200    2.1700 S   0  0  0  0  0  0
    2.8200   -0.3300    1.4600 C   0  0  0  0  0  0
    1.8600   -0.1600    2.2500 N   0  0  0  0  0  0
    0.5400   -0.0700    1.8000 C   0  0  0  0  0  0
   -0.9300    0.1500    2.6500 S   0  0  0  0  0  0
   -2.0100    0.1300    1.2900 C   0  0  0  0  0  0
   -3.5000    0.2800    1.3100 C   0  0  0  2  0  0
   -4.0300    0.9600    0.0900 C   0  0  0  2  0  0
   -4.2200    0.0200   -1.0600 C   0  0  0  2  0  0
   -3.0300   -0.8700   -1.2800 C   0  0  0  2  0  0
   -1.7300   -0.1400   -1.2300 C   0  0  0  2  0  0
   -1.1800   -0.0500    0.1900 C   0  0  0  0  0  0
    0.1700   -0.1600    0.4400 C   0  0  0  0  0  0
    1.2700   -0.3600   -0.5300 C   0  0  0  0  0  0
    1.2600   -0.4700   -1.7800 N   0  0  0  0  0  0
    2.6800   -0.6500   -2.2300 C   0  0  0  0  0  0
    3.0000   -0.7900   -3.3900 O   0  0  0  0  0  0
    3.6100   -0.6300   -1.0200 C   0  0  0  2  0  0
    2.6300   -0.4400    0.0500 N   0  0  0  0  0  0
    6.4500    0.9400    2.0700 H   0  0  0  0  0  0
    5.5400    0.9700    0.5200 H   0  0  0  0  0  0
    4.9600    1.9200    1.9300 H   0  0  0  0  0  0
   -3.7200    0.8700    2.2300 H   0  0  0  0  0  0
   -3.9500   -0.7200    1.4600 H   0  0  0  0  0  0
   -5.0000    1.4600    0.2900 H   0  0  0  0  0  0
   -3.3400    1.7900   -0.2000 H   0  0  0  0  0  0
   -4.4400    0.6100   -1.9700 H   0  0  0  0  0  0
   -5.1200   -0.6100   -0.9000 H   0  0  0  0  0  0
   -3.0300   -1.7100   -0.5400 H   0  0  0  0  0  0
   -3.1600   -1.3900   -2.2600 H   0  0  0  0  0  0
   -1.8000    0.8900   -1.6200 H   0  0  0  0  0  0
   -0.9300   -0.6500   -1.8000 H   0  0  0  0  0  0
    4.2900    0.2200   -1.0800 H   0  0  0  0  0  0
    4.1200   -1.5800   -0.9200 H   0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3 20  1  0
  3  4  2  0
  4  5  1  0
  5 14  2  0
  5  6  1  0
  6  7  1  0
  7 13  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 20  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 21  1  1  0
 22  1  1  0
 23  1  1  0
 24  8  1  0
 25  8  1  0
 26  9  1  0
 27  9  1  0
 28 10  1  0
 29 10  1  0
 30 11  1  0
 31 11  1  0
 32 12  1  0
 33 12  1  0
 34 19  1  0
 35 19  1  0
M  END

$$$$