TDT2MOL 
CSC1=Nc2sc3CCCCCCc3c2C4=NC(=O)CN41
 38 41  0  0  0  0              0      
    5.8400    1.6700   -0.9800 C   0  0  0  3  0  0
    5.3400    0.4500    0.2600 S   0  0  0  0  0  0
    3.5300    0.3000    0.2500 C   0  0  0  0  0  0
    2.8700    1.3200   -0.0700 N   0  0  0  0  0  0
    1.4700    1.3000   -0.1000 C   0  0  0  0  0  0
    0.3300    2.5100   -0.4900 S   0  0  0  0  0  0
   -1.1300    1.5800   -0.2500 C   0  0  0  0  0  0
   -2.5000    2.1500   -0.4600 C   0  0  0  2  0  0
   -3.6200    1.4900    0.2700 C   0  0  0  2  0  0
   -4.4100    0.4800   -0.5000 C   0  0  0  2  0  0
   -3.9900   -0.9600   -0.3200 C   0  0  0  2  0  0
   -2.5400   -1.2100   -0.6200 C   0  0  0  2  0  0
   -1.5900   -0.8500    0.4700 C   0  0  0  2  0  0
   -0.6700    0.3300    0.1400 C   0  0  0  0  0  0
    0.6900    0.1700    0.2200 C   0  0  0  0  0  0
    1.4300   -1.0600    0.6100 C   0  0  0  0  0  0
    1.0400   -2.2100    0.9400 N   0  0  0  0  0  0
    2.2600   -3.0400    1.2200 C   0  0  0  0  0  0
    2.2000   -4.2000    1.5700 O   0  0  0  0  0  0
    3.5100   -2.2000    1.0100 C   0  0  0  2  0  0
    2.9200   -0.9300    0.6100 N   0  0  0  0  0  0
    6.9300    1.7700   -0.9500 H   0  0  0  0  0  0
    5.3700    2.6400   -0.7600 H   0  0  0  0  0  0
    5.5200    1.3300   -1.9700 H   0  0  0  0  0  0
   -2.6800    2.1400   -1.5600 H   0  0  0  0  0  0
   -2.3600    3.2400   -0.2200 H   0  0  0  0  0  0
   -4.3100    2.2900    0.6800 H   0  0  0  0  0  0
   -3.2400    1.0400    1.2200 H   0  0  0  0  0  0
   -4.3400    0.7100   -1.5900 H   0  0  0  0  0  0
   -5.5100    0.5300   -0.2900 H   0  0  0  0  0  0
   -4.6600   -1.6000   -0.9300 H   0  0  0  0  0  0
   -4.1900   -1.2400    0.7400 H   0  0  0  0  0  0
   -2.4100   -2.2900   -0.8900 H   0  0  0  0  0  0
   -2.3100   -0.6900   -1.5900 H   0  0  0  0  0  0
   -0.8700   -1.6400    0.7600 H   0  0  0  0  0  0
   -2.0900   -0.5700    1.4200 H   0  0  0  0  0  0
    4.1100   -2.6300    0.2000 H   0  0  0  0  0  0
    4.0600   -2.1000    1.9400 H   0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3 21  1  0
  3  4  2  0
  4  5  1  0
  5 15  2  0
  5  6  1  0
  6  7  1  0
  7 14  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 16  1  0
 16 21  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 22  1  1  0
 23  1  1  0
 24  1  1  0
 25  8  1  0
 26  8  1  0
 27  9  1  0
 28  9  1  0
 29 10  1  0
 30 10  1  0
 31 11  1  0
 32 11  1  0
 33 12  1  0
 34 12  1  0
 35 13  1  0
 36 13  1  0
 37 20  1  0
 38 20  1  0
M  END

$$$$