SMILES:C1(Oc2c(OC1F)c(O)ccc2)(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    1.6295     0.0000 
   C   3    1.8766     0.9334     0.0000 
   O   4    0.9370     1.8792     1.6274     0.0000 
   C   5    0.9458     0.9370     1.6208     1.6295     0.0000 
   C   6    1.6208     1.6274     0.9458     0.9334     1.8766     0.0000 
   C   7    2.8136     1.6208     0.9370     2.4816     2.4777     1.6295 
   F   8    0.9252     2.5343     2.7813     1.4786     1.7286     2.3672 
   F   9    0.9970     2.4021     2.8363     1.8133     1.4977     2.6068 
   F  10    1.6254     1.6167     2.4695     2.4789     0.9298     2.8064 
   O  11    3.3799     1.8703     1.6187     3.2461     2.8073     2.4825 
   C  12    2.4777     2.4816     1.6295     1.6208     2.8136     0.9370 
   C  13    3.2458     2.8136     1.8802     2.4777     3.3808     1.6250 
   C  14    3.3808     2.4777     1.6250     2.8136     3.2458     1.8802 

              C   7      F   8      F   9      F  10      O  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   F   8    3.7154     0.0000 
   F   9    3.7690     0.5687     0.0000 
   F  10    3.2375     2.0721     1.6095     0.0000 
   O  11    0.9333     4.3050     4.2500     3.3693     0.0000 
   C  12    1.8792     3.0932     3.4239     3.7434     2.8125     0.0000 
   C  13    1.6295     3.9545     4.2292     4.2892     2.4825     0.9370 
   C  14    0.9370     4.2154     4.3744     4.0768     1.6187     1.6295 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    0.9458     0.0000 



ATOMIC CHARGES
   C   1    0.4806546548
   O   2   -0.4361557017
   C   3    0.2142667478
   O   4   -0.4224396714
   C   5    0.4327606536
   C   6    0.1811705597
   C   7    0.2324390775
   F   8   -0.1571414572
   F   9   -0.1571414572
   F  10   -0.1777006218
   O  11   -0.2832094983
   C  12    0.0404571563
   C  13    0.0066091079
   C  14    0.0454304500


BOND ANGLES
   3    6    4  Car  Car   O3    120.001
   6    4    1  Car   O3   C3    120.125
  14   13   12  Car  Car  Car    119.873
  13   12    6  Car  Car  Car    120.254
   4    6    3   O3  Car  Car    120.001
   6    3    2  Car  Car   O3    120.001
  12   13   14  Car  Car  Car    119.873
  13   14    7  Car  Car  Car    119.873


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