SMILES:n1c(c(cc(c1)Cl)Br)Cl	

FORMULA: C5H2BrCl2N
MASS: 226.8861
EXACT MASS: 224.8747664
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7576     0.0000 
   C   3    1.2963     0.7417     0.0000 
   C   4    1.4875     1.2927     0.7555     0.0000 
   C   5    1.2859     1.4931     1.2958     0.7375     0.0000 
   C   6    0.7396     1.2958     1.4931     1.2822     0.7417     0.0000 
  Cl   7    1.3000     0.7432     1.2879     1.9755     2.2363     1.9735 
  Br   8    1.9787     1.2879     0.7432     1.3000     1.9735     2.2363 
  Cl   9    1.9592     2.2305     1.9685     1.2750     0.7375     1.2822 

             Cl   7     Br   8     Cl   9
              ---------------------------------
  Cl   7    0.0000 
  Br   8    1.4917     0.0000 
  Cl   9    2.9738     2.5750     0.0000 



ATOMIC CHARGES
   N   1   -0.2310469653
   C   2    0.1445205504
   C   3    0.0638476439
   C   4    0.0220452703
   C   5    0.0773516205
   C   6    0.1111964346
  Cl   7   -0.0608100829
  Br   8   -0.0464989466
  Cl   9   -0.0806055248


BOND ANGLES
   4    3    2  Car  Car  Car    119.391
   3    2    1  Car  Car  Nar    119.668
   2    3    4  Car  Car  Car    119.391
   3    4    5  Car  Car  Car    120.424


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