SMILES:c12cc(ccc2cccn1)Br	

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

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8233     0.0000 
   N   3    0.8254     1.4250     0.0000 
   C   4    0.8250     1.4280     1.4316     0.0000 
   C   5    1.4250     0.8233     2.1777     1.6466     0.0000 
   C   6    1.4280     1.6500     2.1833     0.8233     1.4280     0.0000 
   C   7    1.6466     1.4280     2.4720     1.4250     0.8250     0.8233 
  Br   8    2.1769     1.4250     2.8500     2.4699     0.8233     2.1802 
   C   9    1.4251     2.1746     0.8192     1.6529     2.8500     2.4762 
   C  10    1.4321     2.1856     1.6542     0.8305     2.4771     1.4333 
   C  11    1.6517     2.4750     1.4321     1.4333     2.9738     2.1859 

              C   7     Br   8      C   9      C  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
  Br   8    1.4280     0.0000 
   C   9    2.9705     3.5849     0.0000 
   C  10    2.1851     3.3004     1.4347     0.0000 
   C  11    2.8583     3.7778     0.8333     0.8254     0.0000 



ATOMIC CHARGES
   C   1    0.0817970221
   C   2    0.0257880014
   N   3   -0.2438219842
   C   4    0.0177309470
   C   5    0.0360632517
   C   6    0.0020021826
   C   7    0.0067934226
  Br   8   -0.0489490088
   C   9    0.0988267024
   C  10    0.0030903395
   C  11    0.0206791236


BOND ANGLES
   5    7    6  Car  Car  Car    120.069
   7    6    4  Car  Car  Car    119.863
   9   11   10  Car  Car  Car    119.750
  11   10    4  Car  Car  Car    119.897
  10   11    9  Car  Car  Car    119.750
  11    9    3  Car  Car  Nar    120.137
   6    7    5  Car  Car  Car    120.069
   7    5    2  Car  Car  Car    120.069


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