SMILES:n1cccc2cc(ccc12)Br	

FORMULA: C9H6BrN
MASS: 208.0546
EXACT MASS: 206.9683612
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7175     0.0000 
   C   3    1.2428     0.7175     0.0000 
   C   4    1.4350     1.2427     0.7175     0.0000 
   C   5    1.2428     1.4350     1.2427     0.7174     0.0000 
   C   6    1.8983     2.1525     1.8983     1.2427     0.7175     0.0000 
   C   7    2.1525     2.5870     2.4855     1.8983     1.2428     0.7175 
   C   8    1.8983     2.4855     2.5870     2.1525     1.4350     1.2427 
   C   9    1.2427     1.8983     2.1525     1.8983     1.2428     1.4350 
   C  10    0.7175     1.2427     1.4350     1.2427     0.7175     1.2427 
  Br  11    2.8700     3.2880     3.1275     2.4855     1.8984     1.2428 

              C   7      C   8      C   9      C  10     Br  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    0.7175     0.0000 
   C   9    1.2428     0.7175     0.0000 
   C  10    1.4350     1.2428     0.7175     0.0000 
  Br  11    0.7175     1.2427     1.8984     2.1525     0.0000 



ATOMIC CHARGES
   N   1   -0.2438374584
   C   2    0.0988264766
   C   3    0.0206793147
   C   4    0.0031054879
   C   5    0.0181895395
   C   6    0.0081923090
   C   7    0.0346627425
   C   8    0.0082401280
   C   9    0.0196022637
   C  10    0.0813368487
  Br  11   -0.0489976523


BOND ANGLES
  10    1    2  Car  Nar  Car    119.991
   1    2    3  Nar  Car  Car    120.002
  10    5    6  Car  Car  Car    119.995
   5    6    7  Car  Car  Car    120.009
  11    7    8   Br  Car  Car    119.995
   7    8    9  Car  Car  Car    120.002
   2    1   10  Car  Nar  Car    119.991
   6    5   10  Car  Car  Car    119.995
   8    7   11  Car  Car   Br    119.995


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