SMILES:C1(Oc2c(OC1F)cccc2O)(F)F	

FORMULA: C8H5F3O3
MASS: 206.1187
EXACT MASS: 206.0190787
INTERATOMIC DISTANCES

              C   1      O   2      C   3      O   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   O   2    0.9370     0.0000 
   C   3    1.6208     0.9334     0.0000 
   O   4    1.6295     1.8792     1.6274     0.0000 
   C   5    0.9417     1.6260     1.8745     0.9390     0.0000 
   C   6    1.8745     1.6239     0.9417     0.9354     1.6208     0.0000 
   C   7    2.4777     1.6208     0.9370     2.4816     2.8115     1.6260 
   F   8    0.9861     1.8256     2.6026     2.3556     1.4419     2.8072 
   F   9    0.9534     1.5824     2.4538     2.5320     1.6921     2.8241 
   F  10    1.6274     2.4816     2.8099     1.6208     0.9354     2.4743 
   O  11    2.8073     1.8703     1.6187     3.2461     3.3771     2.4787 
   C  12    2.8136     2.4816     1.6295     1.6208     2.4784     0.9390 
   C  13    3.3757     2.8080     1.8746     2.4744     3.2417     1.6209 
   C  14    3.2417     2.4736     1.6209     2.8100     3.3757     1.8746 

              C   7      F   8      F   9      F  10      O  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   F   8    3.4304     0.0000 
   F   9    3.2016     0.4977     0.0000 
   F  10    3.7469     1.5387     1.9796     0.0000 
   O  11    0.9333     3.6458     3.3067     4.2916     0.0000 
   C  12    1.8792     3.7395     3.7626     3.2416     2.8125     0.0000 
   C  13    1.6239     4.3516     4.2828     4.0773     2.4773     0.9355 
   C  14    0.9334     4.2225     4.0483     4.2892     1.6166     1.6275 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    0.9417     0.0000 



ATOMIC CHARGES
   C   1    0.4807465616
   O   2   -0.4192343961
   C   3    0.2164918350
   O   4   -0.4393604136
   C   5    0.4326679403
   C   6    0.1789440117
   C   7    0.2325237647
   F   8   -0.1571405565
   F   9   -0.1571405565
   F  10   -0.1777015086
   O  11   -0.2832082810
   C  12    0.0403719644
   C  13    0.0066079747
   C  14    0.0454316598


BOND ANGLES
   3    6    4  Car  Car   O3    120.219
   6    4    5  Car   O3   C3    119.691
  14   13   12  Car  Car  Car    120.216
  13   12    6  Car  Car  Car    119.694
   4    6    3   O3  Car  Car    120.219
   6    3    2  Car  Car   O3    120.001
  12   13   14  Car  Car  Car    120.216
  13   14    7  Car  Car  Car    119.998


TORSION ANGLES
   3    2    1    5      0.026
   3    2    1    8    179.974
   3    2    1    9    179.974
   7    3    2    1    179.974
   6    3    2    1      0.026
   6    4    5    1      0.026
   6    4    5   10    179.974
   4    5    1    2      0.026
   4    5    1    8    179.974
   4    5    1    9    179.974
  10    5    1    2    179.974
  10    5    1    8      0.026
  10    5    1    9      0.026
  12    6    4    5    179.974
   3    6    4    5      0.026
  11    7    3    2      0.026
  11    7    3    6    179.974
  14    7    3    2    179.974
  14    7    3    6      0.026
  13   12    6    4    179.974
  13   12    6    3      0.026
  14   13   12    6      0.026
  13   14    7    3      0.026
  13   14    7   11    179.974
   4    6    3    2      0.026
   4    6    3    7    179.974
  12    6    3    2    179.974
  12    6    3    7      0.026
  12   13   14    7      0.026


CHIRAL ATOMS
   C     1 is chiral: counterclockwise
   C     5 is chiral: counterclockwise