SMILES:c12c(CC(C1O)N)c(cc(c2)F)F	

FORMULA: C9H9F2NO
MASS: 185.1707
EXACT MASS: 185.0652204
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6000     0.0000 
   C   3    0.5996     0.9693     0.0000 
   C   4    0.9727     0.6009     0.9708     0.0000 
   C   5    1.0377     0.5974     1.5350     1.0933     0.0000 
   C   6    0.9724     0.9724     0.5991     0.6025     1.5615     0.0000 
   C   7    1.1985     1.0375     1.7890     1.6193     0.6011     1.9853 
   C   8    0.5974     1.0377     1.0937     1.5380     1.2000     1.5615 
   C   9    1.0375     1.1985     1.6188     1.7908     1.0399     1.9853 
   N  10    1.5542     1.5542     1.0695     1.0714     2.1279     0.6000 
   F  11    1.5865     1.0377     2.0040     1.3001     0.6000     1.8757 
   O  12    1.0696     1.5521     0.6009     1.5531     2.0885     1.0673 
   F  13    1.5869     1.7995     2.1324     2.3908     1.5891     2.5548 

              C   7      C   8      C   9      N  10      F  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0399     0.0000 
   C   9    0.6000     0.6011     0.0000 
   N  10    2.5800     2.1279     2.5800     0.0000 
   F  11    1.0399     1.8000     1.5879     2.3681     0.0000 
   O  12    2.2492     1.3535     1.9478     1.3035     2.5898     0.0000 
   F  13    1.0398     1.0417     0.6010     3.1411     2.0797     2.3608 

              F  13
              -----------
   F  13    0.0000 



ATOMIC CHARGES
   C   1    0.0096179570
   C   2    0.0054116197
   C   3    0.1918111683
   C   4    0.0503472878
   C   5    0.1381928418
   C   6    0.1306885284
   C   7    0.0589010418
   C   8    0.0276804440
   C   9    0.1421282550
   N  10   -0.1295044739
   F  11   -0.2044385075
   O  12   -0.2167301126
   F  13   -0.2041060498


BOND ANGLES
   7    5    2  Car  Car  Car    119.917
   5    2    1  Car  Car  Car    120.145
   4    6    3   C3   C3   C3    107.778
   6    3    1   C3   C3  Car    108.429
   3    6    4   C3   C3   C3    107.778
   6    4    2   C3   C3  Car    107.811
   2    5    7  Car  Car  Car    119.917
   5    7    9  Car  Car  Car    119.939


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


CHIRAL ATOMS
   C     3 is chiral: counterclockwise
   C     6 is chiral: counterclockwise