SMILES:n1c(c(ccc1C)Br)Br	

FORMULA: C6H5Br2N
MASS: 250.9186
EXACT MASS: 248.8788732
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5     Br   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7468     0.0000 
   C   3    1.2864     0.7375     0.0000 
   C   4    0.7432     1.2875     1.4838     0.0000 
   C   5    1.4875     1.2864     0.7468     1.2843     0.0000 
  Br   6    1.2875     0.7432     1.2843     1.9653     1.9673     0.0000 
  Br   7    1.9673     1.2843     0.7432     2.2270     1.2875     1.4875 
   C   8    1.2843     1.4838     1.2875     0.7375     0.7432     2.2270 
   C   9    1.2875     1.9693     2.2305     0.7468     1.9673     2.5750 

             Br   7      C   8      C   9
              ---------------------------------
  Br   7    0.0000 
   C   8    1.9653     0.0000 
   C   9    2.9738     1.2864     0.0000 



ATOMIC CHARGES
   N   1   -0.2424578310
   C   2    0.1210882453
   C   3    0.0585329593
   C   4    0.0599444532
   C   5    0.0099267725
  Br   6   -0.0275272115
  Br   7   -0.0469040897
   C   8    0.0152883041
   C   9    0.0521083978


BOND ANGLES
   5    3    2  Car  Car  Car    120.143
   3    2    1  Car  Car  Nar    120.143
   2    3    5  Car  Car  Car    120.143
   3    5    8  Car  Car  Car    119.556


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