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

FORMULA: C6H5BrFNO
MASS: 206.0124
EXACT MASS: 204.9538540
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7535     0.0000 
   C   3    1.2927     0.7458     0.0000 
   C   4    1.4875     1.2998     0.7576     0.0000 
   C   5    1.2822     1.4951     1.2958     0.7396     0.0000 
   C   6    0.7354     1.2958     1.4951     1.2894     0.7458     0.0000 
   F   7    1.9755     1.2915     0.7432     1.3000     1.9735     2.2383 
   O   8    1.3000     0.7391     1.2843     1.9755     2.2342     1.9719 
  Br   9    1.9529     2.2305     1.9678     1.2750     0.7354     1.2822 
   C  10    1.4987     1.2843     1.9660     2.5841     2.6846     2.2342 

              F   7      O   8     Br   9      C  10
              --------------------------------------------
   F   7    0.0000 
   O   8    1.4875     0.0000 
  Br   9    2.5750     2.9696     0.0000 
   C  10    2.2333     0.7458     3.4031     0.0000 



ATOMIC CHARGES
   N   1   -0.2076983953
   C   2    0.2533494281
   C   3    0.1934665750
   C   4    0.0427194870
   C   5    0.0561623845
   C   6    0.1088359104
   F   7   -0.1992239404
   O   8   -0.4546102001
  Br   9   -0.0473055743
   C  10    0.2543043251


BOND ANGLES
   4    3    2  Car  Car  Car    119.668
   3    2    1  Car  Car  Nar    119.120
   2    3    4  Car  Car  Car    119.668
   3    4    5  Car  Car  Car    119.866


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
  10    8    2    1      0.026
  10    8    2    3    179.974
   2    3    4    5      0.026
   7    3    4    5    179.974