SMILES:c1(c(cccc1N)Br)O	

FORMULA: C6H6BrNO
MASS: 188.0219
EXACT MASS: 186.9632758
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8463     0.0000 
   C   3    1.4658     0.8462     0.0000 
   C   4    1.6925     1.4657     0.8463     0.0000 
   C   5    1.4658     1.6925     1.4658     0.8463     0.0000 
   C   6    0.8463     1.4658     1.6925     1.4657     0.8462     0.0000 
   N   7    1.4658     2.2391     2.5388     2.2390     1.4658     0.8463 
  Br   8    1.4657     0.8462     1.4657     2.2389     2.5387     2.2390 
   O   9    0.8462     1.4658     2.2390     2.5387     2.2390     1.4658 

              N   7     Br   8      O   9
              ---------------------------------
   N   7    0.0000 
  Br   8    2.9315     0.0000 
   O   9    1.6925     1.6924     0.0000 



ATOMIC CHARGES
   C   1    0.2183271424
   C   2    0.0747986327
   C   3    0.0099965222
   C   4    0.0020967076
   C   5    0.0213525206
   C   6    0.1283421967
   N   7   -0.1246894882
  Br   8   -0.0456278039
   O   9   -0.2845964300


BOND ANGLES
   6    1    2  Car  Car  Car    119.993
   1    2    3  Car  Car  Car    120.004
   1    2    8  Car  Car   Br    119.990
   9    1    2   O3  Car  Car    120.004
   1    2    3  Car  Car  Car    120.004
   1    2    8  Car  Car   Br    119.990
   8    2    3   Br  Car  Car    120.007
   2    3    4  Car  Car  Car    119.998
   2    1    6  Car  Car  Car    119.993
   1    6    7  Car  Car  Npl    119.993
   9    1    6   O3  Car  Car    120.004
   1    6    7  Car  Car  Npl    119.993
   3    2    8  Car  Car   Br    120.007
   2    1    9  Car  Car   O3    120.004
   6    1    9  Car  Car   O3    120.004


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