TDT2MOL 
Nc1ncnc2sc3CC4(CCCCC4)CCc3c12
 38 41  0  0  0  0              0      
    3.8100    1.3600   -1.0200 N   0  0  0  2  0  0
    3.7500    0.0100   -0.6800 C   0  0  0  0  0  0
    4.9100   -0.7300   -0.9900 N   0  0  0  0  0  0
    5.0300   -2.0900   -0.7400 C   0  0  0  1  0  0
    3.9500   -2.7500   -0.1500 N   0  0  0  0  0  0
    2.8100   -2.0200    0.1600 C   0  0  0  0  0  0
    1.3400   -2.5400    0.8700 S   0  0  0  0  0  0
    0.5400   -1.0300    0.8700 C   0  0  0  0  0  0
   -0.8300   -0.6500    1.3400 C   0  0  0  2  0  0
   -1.2800    0.5600    0.5600 C   0  0  0  0  0  0
   -2.6200    1.0100    1.0600 C   0  0  0  2  0  0
   -3.6600   -0.0300    0.7900 C   0  0  0  2  0  0
   -3.7400   -0.3000   -0.6800 C   0  0  0  2  0  0
   -2.4100   -0.7900   -1.1700 C   0  0  0  2  0  0
   -1.3600    0.2400   -0.9000 C   0  0  0  2  0  0
   -0.2500    1.6600    0.7600 C   0  0  0  2  0  0
    1.0600    1.3400    0.1600 C   0  0  0  2  0  0
    1.4500   -0.1200    0.3000 C   0  0  0  0  0  0
    2.6700   -0.6500   -0.0800 C   0  0  0  0  0  0
    4.6600    1.7000   -1.4500 H   0  0  0  0  0  0
    3.0600    1.9900   -0.9100 H   0  0  0  0  0  0
    5.9500   -2.6300   -0.9900 H   0  0  0  0  0  0
   -1.5100   -1.4900    1.1900 H   0  0  0  0  0  0
   -0.7900   -0.3900    2.4100 H   0  0  0  0  0  0
   -2.5600    1.2200    2.1300 H   0  0  0  0  0  0
   -2.9000    1.9400    0.5300 H   0  0  0  0  0  0
   -4.6400    0.3300    1.1500 H   0  0  0  0  0  0
   -3.4200   -0.9600    1.3300 H   0  0  0  0  0  0
   -4.5100   -1.0700   -0.8700 H   0  0  0  0  0  0
   -4.0100    0.6200   -1.2100 H   0  0  0  0  0  0
   -2.4800   -0.9900   -2.2600 H   0  0  0  0  0  0
   -2.1500   -1.7400   -0.6700 H   0  0  0  0  0  0
   -1.6200    1.1600   -1.4600 H   0  0  0  0  0  0
   -0.3900   -0.1200   -1.2600 H   0  0  0  0  0  0
   -0.6500    2.6000    0.3100 H   0  0  0  0  0  0
   -0.2000    1.8600    1.8500 H   0  0  0  0  0  0
    1.1100    1.5500   -0.9300 H   0  0  0  0  0  0
    1.8700    1.9200    0.6500 H   0  0  0  0  0  0
  1  2  1  0
  2 19  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6 19  2  0
  6  7  1  0
  7  8  1  0
  8 18  2  0
  8  9  1  0
  9 10  1  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
 10 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 20  1  1  0
 21  1  1  0
 22  4  1  0
 23  9  1  0
 24  9  1  0
 25 11  1  0
 26 11  1  0
 27 12  1  0
 28 12  1  0
 29 13  1  0
 30 13  1  0
 31 14  1  0
 32 14  1  0
 33 15  1  0
 34 15  1  0
 35 16  1  0
 36 16  1  0
 37 17  1  0
 38 17  1  0
M  END

$$$$