TDT2MOL 
CSC1=Nc2sc3CC(C)CCc3c2C4=NC(=O)CN41
 35 38  0  0  0  0              0      
    5.7300    0.2700   -1.5000 C   0  0  0  3  0  0
    4.4900    1.4900   -1.9500 S   0  0  0  0  0  0
    2.8800    1.0100   -1.2900 C   0  0  0  0  0  0
    1.8800    1.6400   -1.7300 N   0  0  0  0  0  0
    0.5800    1.3600   -1.3000 C   0  0  0  0  0  0
   -0.9300    2.0500   -1.7200 S   0  0  0  0  0  0
   -1.9400    1.1000   -0.7100 C   0  0  0  0  0  0
   -3.4200    1.1100   -0.5000 C   0  0  0  2  0  0
   -3.8600   -0.1200    0.2400 C   0  0  0  1  0  0
   -5.2800    0.0500    0.7100 C   0  0  0  3  0  0
   -2.9600   -0.3800    1.4200 C   0  0  0  2  0  0
   -1.5800   -0.7800    0.9600 C   0  0  0  2  0  0
   -1.0600    0.2400   -0.0300 C   0  0  0  0  0  0
    0.2700    0.3700   -0.3400 C   0  0  0  0  0  0
    1.4100   -0.4000    0.2100 C   0  0  0  0  0  0
    1.4600   -1.3300    1.0500 N   0  0  0  0  0  0
    2.8900   -1.7300    1.2200 C   0  0  0  0  0  0
    3.2600   -2.6100    1.9700 O   0  0  0  0  0  0
    3.7700   -0.8700    0.3100 C   0  0  0  2  0  0
    2.7500   -0.0300   -0.3200 N   0  0  0  0  0  0
    6.6900    0.5500   -1.9700 H   0  0  0  0  0  0
    5.4300   -0.7200   -1.8600 H   0  0  0  0  0  0
    5.8500    0.2500   -0.4100 H   0  0  0  0  0  0
   -3.9300    1.1900   -1.4700 H   0  0  0  0  0  0
   -3.6500    2.0200    0.0900 H   0  0  0  0  0  0
   -3.8200   -1.0000   -0.4300 H   0  0  0  0  0  0
   -5.6000   -0.8500    1.2600 H   0  0  0  0  0  0
   -5.9300    0.2100   -0.1500 H   0  0  0  0  0  0
   -5.3300    0.9200    1.3800 H   0  0  0  0  0  0
   -3.3600   -1.1900    2.0400 H   0  0  0  0  0  0
   -2.9000    0.5300    2.0400 H   0  0  0  0  0  0
   -0.8900   -0.8400    1.8100 H   0  0  0  0  0  0
   -1.6200   -1.7500    0.4500 H   0  0  0  0  0  0
    4.4500   -0.2700    0.9100 H   0  0  0  0  0  0
    4.2700   -1.4900   -0.4200 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
  9 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 10  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

$$$$