SMILES:n1c(c(ccc1C)F)Br	

FORMULA: C6H5BrFN
MASS: 190.0130
EXACT MASS: 188.9589394
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5     Br   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7576     0.0000 
   C   3    1.2963     0.7417     0.0000 
   C   4    0.7396     1.2958     1.4931     0.0000 
   C   5    1.4875     1.2927     0.7555     1.2822     0.0000 
  Br   6    1.3000     0.7432     1.2879     1.9735     1.9755     0.0000 
   F   7    1.9787     1.2879     0.7432     2.2363     1.3000     1.4917 
   C   8    1.2859     1.4931     1.2958     0.7417     0.7375     2.2363 
   C   9    1.2792     1.9735     2.2363     0.7432     1.9619     2.5792 

              F   7      C   8      C   9
              ---------------------------------
   F   7    0.0000 
   C   8    1.9735     0.0000 
   C   9    2.9795     1.2879     0.0000 



ATOMIC CHARGES
   N   1   -0.2406685111
   C   2    0.1422271030
   C   3    0.1639519445
   C   4    0.0600662086
   C   5    0.0329321545
  Br   6   -0.0256655535
   F   7   -0.2020435794
   C   8    0.0170902144
   C   9    0.0521100190


BOND ANGLES
   5    3    2  Car  Car  Car    119.391
   3    2    1  Car  Car  Nar    119.668
   2    3    5  Car  Car  Car    119.391
   3    5    8  Car  Car  Car    120.424


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