SMILES:n1c(Br)ccc(c1)I	

FORMULA: C5H3BrIN
MASS: 283.8925
EXACT MASS: 282.8493591
INTERATOMIC DISTANCES

              N   1      C   2      C   3     Br   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7576     0.0000 
   C   3    0.7396     1.2958     0.0000 
  Br   4    1.3000     0.7432     1.9735     0.0000 
   C   5    1.2859     1.4931     0.7417     2.2363     0.0000 
   C   6    1.2963     0.7417     1.4931     1.2879     1.2958     0.0000 
   I   7    1.9592     2.2305     1.2822     2.9738     0.7375     1.9685 
   C   8    1.4875     1.2927     1.2822     1.9755     0.7375     0.7555 

              I   7      C   8
              ----------------------
   I   7    0.0000 
   C   8    1.2750     0.0000 



ATOMIC CHARGES
   N   1   -0.2366954975
   C   2    0.1154153458
   C   3    0.1051396000
  Br   4   -0.0280358878
   C   5    0.0492454386
   C   6    0.0264297064
   I   7   -0.0409053382
   C   8    0.0094066326


BOND ANGLES
   8    6    2  Car  Car  Car    119.391
   6    2    1  Car  Car  Nar    119.668
   2    6    8  Car  Car  Car    119.391
   6    8    5  Car  Car  Car    120.424


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