SMILES:C(=O)c1cc(c(cc1)OC(F)F)OC(F)F	

FORMULA: C9H6F4O3
MASS: 238.1358
EXACT MASS: 238.0253069
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8326     0.0000 
   C   3    1.4419     0.8325     0.0000 
   C   4    2.2026     1.4419     0.8326     0.0000 
   C   5    2.4975     1.6650     1.4420     0.8325     0.0000 
   C   6    2.2026     1.4419     1.6650     1.4419     0.8325     0.0000 
   C   7    1.4420     0.8325     1.4419     1.6650     1.4419     0.8324 
   O   8    0.8326     1.4420     2.2026     2.8839     3.0017     2.4975 
   O   9    3.3300     2.4975     2.2026     1.4419     0.8325     1.4420 
   C  10    3.8150     3.0016     2.8839     2.2026     1.4419     1.6651 
   F  11    4.6352     3.8149     3.6288     2.8838     2.2026     2.4975 
   F  12    3.6288     2.8838     3.0017     2.4975     1.6650     1.4420 
   O  13    2.8839     2.2026     1.4420     0.8326     1.4420     2.2026 
   C  14    3.6288     2.8838     2.2026     1.4419     1.6650     2.4975 
   F  15    4.3258     3.6288     2.8839     2.2026     2.4975     3.3300 
   F  16    3.8150     3.0016     2.4975     1.6650     1.4419     2.2026 

              C   7      O   8      O   9      C  10      F  11      F  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    1.6651     0.0000 
   O   9    2.2026     3.8150     0.0000 
   C  10    2.4975     4.1625     0.8325     0.0000 
   F  11    3.3299     4.9950     1.4419     0.8325     0.0000 
   F  12    2.2026     3.8150     1.4420     0.8326     1.4419     0.0000 
   O  13    2.4975     3.6289     1.6650     2.4975     3.0017     3.0017 
   C  14    3.0016     4.3258     1.4419     2.2025     2.4975     2.8838 
   F  15    3.8150     5.0639     2.2026     2.8838     3.0017     3.6288 
   F  16    2.8838     4.4052     0.8324     1.4419     1.6650     2.2026 

              O  13      C  14      F  15      F  16
              --------------------------------------------
   O  13    0.0000 
   C  14    0.8325     0.0000 
   F  15    1.4419     0.8326     0.0000 
   F  16    1.4419     0.8325     1.4420     0.0000 



ATOMIC CHARGES
   C   1    0.2342545706
   C   2    0.0454294662
   C   3    0.0435287877
   C   4    0.1782284805
   C   5    0.1781284124
   C   6    0.0403476255
   C   7    0.0066076571
   O   8   -0.2831433003
   O   9   -0.4205091960
   C  10    0.5087436368
   F  11   -0.1549629836
   F  12   -0.1549629836
   O  13   -0.4205078479
   C  14    0.5087436417
   F  15   -0.1549629836
   F  16   -0.1549629836


BOND ANGLES
   8    1    2   O2   C2  Car    119.996
   1    2    3   C2  Car  Car    119.993
   1    2    7   C2  Car  Car    120.002
   7    2    3  Car  Car  Car    120.005
   2    3    4  Car  Car  Car    119.993
  13    4    5   O3  Car  Car    120.002
   4    5    6  Car  Car  Car    119.996
   4    5    9  Car  Car   O3    119.996
   9    5    6   O3  Car  Car    120.008
   5    6    7  Car  Car  Car    120.005
   3    2    7  Car  Car  Car    120.005
   2    1    8  Car   C2   O2    119.996
  12   10   11    F   C3    F    119.993
  11   10   12    F   C3    F    119.993
   6    5    9  Car  Car   O3    120.008
   5    9   10  Car   O3   C3    119.996
  16   14   15    F   C3    F    120.002
  15   14   16    F   C3    F    120.002
   5    4   13  Car  Car   O3    120.002
   4   13   14  Car   O3   C3    119.993


TORSION ANGLES
   8    1    2    3    179.974
   8    1    2    7      0.026
   1    2    3    4    179.974
   7    2    3    4      0.026
   2    3    4    5      0.026
   2    3    4   13    179.974
   3    4    5    6      0.026
   3    4    5    9    179.974
  13    4    5    6    179.974
  13    4    5    9      0.026
   4    5    6    7      0.026
   9    5    6    7    179.974
   5    6    7    2      0.026
   1    2    7    6    179.974
   3    2    7    6      0.026
   5    9   10   11    179.974
   5    9   10   12      0.026
   4    5    9   10    179.974
   6    5    9   10      0.026
   4   13   14   15    179.974
   4   13   14   16      0.026
   3    4   13   14    179.974
   5    4   13   14      0.026


CHIRAL ATOMS
   C    10 is chiral: counterclockwise
   C    14 is chiral: counterclockwise