SMILES:c1(c(nccc1Br)C)Cl	

FORMULA: C6H5BrClN
MASS: 206.4676
EXACT MASS: 204.9293888
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4     Cl   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8292     0.0000 
   N   3    1.4337     0.8269     0.0000 
   C   4    0.8269     1.4337     1.6542     0.0000 
  Cl   5    0.8275     1.4388     2.1924     1.4292     0.0000 
   C   6    1.6523     1.4292     0.8233     1.4316     2.4798     0.0000 
   C   7    1.4292     1.6523     1.4316     0.8233     2.1826     0.8292 
  Br   8    1.4342     2.1902     2.4792     0.8250     1.6533     2.1834 
   C   9    1.4316     0.8233     1.4292     2.1861     1.6625     2.1811 

              C   7     Br   8      C   9
              ---------------------------------
   C   7    0.0000 
  Br   8    1.4238     0.0000 
   C   9    2.4756     2.8658     0.0000 



ATOMIC CHARGES
   C   1    0.0773894638
   C   2    0.0703715732
   N   3   -0.2472606467
   C   4    0.0478107295
  Cl   5   -0.0804993130
   C   6    0.0990110808
   C   7    0.0281958028
  Br   8   -0.0480315048
   C   9    0.0530128144


BOND ANGLES
   6    3    2  Car  Nar  Car    120.009
   3    2    1  Nar  Car  Car    119.923
   2    3    6  Car  Nar  Car    120.009
   3    6    7  Nar  Car  Car    120.069


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