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

FORMULA: C5H4BrFN2
MASS: 191.0011
EXACT MASS: 189.9541884
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7426     0.0000 
   C   3    1.2864     0.7458     0.0000 
   C   4    1.4875     1.2935     0.7468     0.0000 
   C   5    1.2843     1.4879     1.2875     0.7432     0.0000 
   C   6    0.7391     1.2875     1.4879     1.2915     0.7458     0.0000 
  Br   7    1.2875     0.7391     1.2843     1.9673     2.2270     1.9637 
   N   8    1.9673     1.2915     0.7432     1.2875     1.9653     2.2311 
   F   9    1.9610     2.2305     1.9678     1.2875     0.7426     1.2864 

             Br   7      N   8      F   9
              ---------------------------------
  Br   7    0.0000 
   N   8    1.4875     0.0000 
   F   9    2.9696     2.5750     0.0000 



ATOMIC CHARGES
   N   1   -0.2334096857
   C   2    0.1321514960
   C   3    0.1152421411
   C   4    0.0513409222
   C   5    0.1605977122
   C   6    0.1290338423
  Br   7   -0.0266031083
   N   8   -0.1258712046
   F   9   -0.2024821152


BOND ANGLES
   4    3    2  Car  Car  Car    120.143
   3    2    1  Car  Car  Nar    119.589
   2    3    4  Car  Car  Car    120.143
   3    4    5  Car  Car  Car    119.556


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