SMILES:c1(c(nc(cc1)Br)Br)C	

FORMULA: C6H5Br2N
MASS: 250.9186
EXACT MASS: 248.8788732
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8274     0.0000 
   N   3    1.4309     0.8255     0.0000 
   C   4    1.6520     1.4313     0.8272     0.0000 
   C   5    1.4272     1.6525     1.4341     0.8305     0.0000 
   C   6    0.8228     1.4305     1.6530     1.4327     0.8241     0.0000 
  Br   7    1.4313     0.8250     1.4296     2.1854     2.4775     2.1835 
   C   8    0.8250     1.4303     2.1842     2.4770     2.1804     1.4264 
  Br   9    2.4769     2.1854     1.4316     0.8250     1.4345     2.1864 

             Br   7      C   8     Br   9
              ---------------------------------
  Br   7    0.0000 
   C   8    1.6516     0.0000 
  Br   9    2.8612     3.3020     0.0000 



ATOMIC CHARGES
   C   1    0.0022250763
   C   2    0.1119049194
   N   3   -0.2322836850
   C   4    0.1158821191
   C   5    0.0257048878
   C   6   -0.0002022697
  Br   7   -0.0283525081
   C   8    0.0331395659
  Br   9   -0.0280181057


BOND ANGLES
   9    4    5   Br  Car  Car    120.112
   4    5    6  Car  Car  Car    119.963
   7    2    3   Br  Car  Nar    120.035
   2    3    4  Car  Nar  Car    120.004
   8    1    2   C3  Car  Car    119.900
   1    2    3  Car  Car  Nar    119.930
   1    2    7  Car  Car   Br    120.036
   3    2    7  Nar  Car   Br    120.035
   2    1    8  Car  Car   C3    119.900
   5    4    9  Car  Car   Br    120.112


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