SMILES:c1(ccc2c(c1)cc(cc2)CBr)CBr	

FORMULA: C12H10Br2
MASS: 314.0158
EXACT MASS: 311.9149243
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8274     0.0000 
   C   3    1.4309     0.8255     0.0000 
   C   4    0.8228     1.4305     1.6530     0.0000 
   C   5    1.4272     1.6525     1.4341     0.8241     0.0000 
   C   6    1.6483     1.4292     0.8272     1.4284     0.8268     0.0000 
   C   7    2.4733     2.1827     1.4297     2.1821     1.4300     0.8250 
   C   8    2.9734     2.8595     2.1856     2.4750     1.6509     1.4303 
   C   9    2.8535     2.9751     2.4786     2.1791     1.4263     1.6514 
   C  10    2.1780     2.4749     2.1857     1.4258     0.8223     1.4295 
   C  11    0.8250     1.4303     2.1842     1.4264     2.1804     2.4733 
   C  12    3.5910     3.7810     3.3037     2.8537     2.1799     2.4765 
  Br  13    1.4289     2.1845     2.8599     1.6478     2.4719     2.9728 
  Br  14    3.7743     4.1245     3.7840     2.9699     2.4719     2.9758 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.8266     0.0000 
   C   9    1.4331     0.8299     0.0000 
   C  10    1.6520     1.4318     0.8237     0.0000 
   C  11    3.2983     3.7792     3.5907     2.8522     0.0000 
   C  12    2.1871     1.4334     0.8251     1.4279     4.2801     0.0000 
  Br  13    3.7785     4.1227     3.7733     2.9678     0.8250     4.3562 
  Br  14    2.8621     2.1876     1.4290     1.6496     4.3569     0.8250 

             Br  13     Br  14
              ----------------------
  Br  13    0.0000 
  Br  14    4.2753     0.0000 



ATOMIC CHARGES
   C   1   -0.0107513080
   C   2   -0.0034067435
   C   3   -0.0002961202
   C   4   -0.0034161818
   C   5   -0.0005728759
   C   6   -0.0000380017
   C   7   -0.0002961202
   C   8   -0.0034067435
   C   9   -0.0107513080
   C  10   -0.0034161818
   C  11    0.0937888725
   C  12    0.0937888725
  Br  13   -0.0756130801
  Br  14   -0.0756130801


BOND ANGLES
  11    1    2   C3  Car  Car    119.900
   1    2    3  Car  Car  Car    119.930
   6    5    4  Car  Car  Car    119.818
   5    4    1  Car  Car  Car    120.132
  12    9   10   C3  Car  Car    120.013
   9   10    5  Car  Car  Car    120.119
   2    1   11  Car  Car   C3    119.900
   1   11   13  Car   C3   Br    119.997
  10    9   12  Car  Car   C3    120.013
   9   12   14  Car   C3   Br    120.003
   4    5    6  Car  Car  Car    119.818
   5    6    7  Car  Car  Car    119.936


TORSION ANGLES
   5    6    7    8      0.026
   3    6    7    8    179.974
   4    1    2    3      0.026
  11    1    2    3    179.974
   6    7    8    9      0.026
  10    5    4    1    179.974
   6    5    4    1      0.026
   7    8    9   10      0.026
   7    8    9   12    179.974
   5    4    1    2      0.026
   5    4    1   11    179.974
   8    9   10    5      0.026
  12    9   10    5    179.974
   9   10    5    4    179.974
   9   10    5    6      0.026
   2    1   11   13    179.974
   4    1   11   13      0.026
   1    2    3    6      0.026
   8    9   12   14    179.974
  10    9   12   14      0.026
   4    5    6    7    179.974
   4    5    6    3      0.026
  10    5    6    7      0.026
  10    5    6    3    179.974
   2    3    6    7    179.974
   2    3    6    5      0.026