SMILES:n1c(c(cc(c1)F)Br)O	

FORMULA: C5H3BrFNO
MASS: 191.9858
EXACT MASS: 190.9382039
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7576     0.0000 
   C   3    1.2963     0.7417     0.0000 
   C   4    1.4875     1.2927     0.7555     0.0000 
   C   5    1.2859     1.4931     1.2958     0.7375     0.0000 
   C   6    0.7396     1.2958     1.4931     1.2822     0.7417     0.0000 
  Br   7    1.9787     1.2879     0.7432     1.3000     1.9735     2.2363 
   O   8    1.3000     0.7432     1.2879     1.9755     2.2363     1.9735 
   F   9    1.9592     2.2305     1.9685     1.2750     0.7375     1.2822 

             Br   7      O   8      F   9
              ---------------------------------
  Br   7    0.0000 
   O   8    1.4917     0.0000 
   F   9    2.5750     2.9738     0.0000 



ATOMIC CHARGES
   N   1   -0.2035418160
   C   2    0.2855780401
   C   3    0.0945788136
   C   4    0.0427785413
   C   5    0.1599225894
   C   6    0.1317518382
  Br   7   -0.0439096634
   O   8   -0.2646497362
   F   9   -0.2025086069


BOND ANGLES
   4    3    2  Car  Car  Car    119.391
   3    2    1  Car  Car  Nar    119.668
   2    3    4  Car  Car  Car    119.391
   3    4    5  Car  Car  Car    120.424


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