TDT2MOL 
COC(=Cc1nc2ccccc2s1)C(C(F)(F)F)C(F)(F)F
 31 32  0  0  0  0              0      
    3.5500    0.8800   -1.6100 C   0  0  0  3  0  0
    3.2800    1.0900   -0.3000 O   0  0  0  0  0  0
    2.0300    0.6200   -0.0300 C   0  0  0  0  0  0
    0.9800    1.2400   -0.6000 C   0  0  0  1  0  0
   -0.4200    0.7900   -0.3600 C   0  0  0  0  0  0
   -1.5600    1.3600   -0.8900 N   0  0  0  0  0  0
   -2.7500    0.7900   -0.5400 C   0  0  0  0  0  0
   -4.0200    1.2200   -0.9800 C   0  0  0  1  0  0
   -5.1600    0.5500   -0.5400 C   0  0  0  1  0  0
   -5.0700   -0.5500    0.3200 C   0  0  0  1  0  0
   -3.8100   -0.9800    0.7500 C   0  0  0  1  0  0
   -2.6800   -0.3100    0.3200 C   0  0  0  0  0  0
   -1.0100   -0.5200    0.6100 S   0  0  0  0  0  0
    1.9100   -0.5600    0.8800 C   0  0  0  1  0  0
    2.8100   -0.3600    2.0700 C   0  0  0  0  0  0
    2.4200    0.8000    2.7600 F   0  0  0  0  0  0
    4.1300   -0.2300    1.6500 F   0  0  0  0  0  0
    2.7000   -1.4600    2.9300 F   0  0  0  0  0  0
    2.3200   -1.8000    0.1600 C   0  0  0  0  0  0
    3.6500   -1.6700   -0.2700 F   0  0  0  0  0  0
    2.2200   -2.9000    1.0100 F   0  0  0  0  0  0
    1.4900   -1.9900   -0.9500 F   0  0  0  0  0  0
    2.8100    1.4100   -2.2300 H   0  0  0  0  0  0
    4.5600    1.2600   -1.8400 H   0  0  0  0  0  0
    3.5100   -0.1900   -1.8300 H   0  0  0  0  0  0
    1.1700    2.1000   -1.2600 H   0  0  0  0  0  0
   -4.1000    2.0900   -1.6500 H   0  0  0  0  0  0
   -6.1500    0.8900   -0.8900 H   0  0  0  0  0  0
   -5.9800   -1.0700    0.6500 H   0  0  0  0  0  0
   -3.7100   -1.8400    1.4300 H   0  0  0  0  0  0
    0.8700   -0.6600    1.2300 H   0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5 13  1  0
  5  6  2  0
  6  7  1  0
  7 12  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
  3 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 15 18  1  0
 14 19  1  0
 19 20  1  0
 19 21  1  0
 19 22  1  0
 23  1  1  0
 24  1  1  0
 25  1  1  0
 26  4  1  0
 27  8  1  0
 28  9  1  0
 29 10  1  0
 30 11  1  0
 31 14  1  0
M  END

$$$$