SMILES:c1c(nc(c(c1)Br)Cl)C	

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

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5231     0.0000 
   N   3    2.6380     1.5230     0.0000 
   C   4    3.0461     2.6380     1.5230     0.0000 
   C   5    2.6380     3.0461     2.6380     1.5231     0.0000 
   C   6    1.5230     2.6379     3.0460     2.6379     1.5230     0.0000 
  Cl   7    4.5691     4.0295     2.6379     1.5230     2.6380     4.0295 
  Br   8    4.0295     4.5690     4.0295     2.6379     1.5229     2.6379 
   C   9    2.6380     1.5230     2.6379     4.0295     4.5691     4.0295 

             Cl   7     Br   8      C   9
              ---------------------------------
  Cl   7    0.0000 
  Br   8    3.0460     0.0000 
   C   9    5.2758     6.0920     0.0000 



ATOMIC CHARGES
   C   1    0.0153133275
   C   2    0.0603533440
   N   3   -0.2377511841
   C   4    0.1440375083
   C   5    0.0629840241
   C   6    0.0102914140
  Cl   7   -0.0608240682
  Br   8   -0.0465267234
   C   9    0.0521223579


BOND ANGLES
   9    2    3   C3  Car  Nar    120.000
   2    3    4  Car  Nar  Car    120.002
   7    4    5   Cl  Car  Car    120.001
   4    5    6  Car  Car  Car    119.996
   4    5    8  Car  Car   Br    119.998
   8    5    6   Br  Car  Car    120.006
   5    6    1  Car  Car  Car    120.008
   5    4    7  Car  Car   Cl    120.001
   6    5    8  Car  Car   Br    120.006
   3    2    9  Nar  Car   C3    120.000


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