SMILES:c1c(ncc(c1N)Br)Br	

FORMULA: C5H4Br2N2
MASS: 251.9067
EXACT MASS: 249.8741221
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4     Br   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8292     0.0000 
   N   3    1.4316     0.8233     0.0000 
   C   4    0.8233     1.4316     1.6542     0.0000 
  Br   5    1.4280     0.8212     1.4250     2.1802     0.0000 
   N   6    1.4301     2.1874     2.4792     0.8250     2.8580     0.0000 
   C   7    1.6487     1.4250     0.8233     1.4316     2.1761     2.1847 
   C   8    1.4250     1.6487     1.4316     0.8233     2.4699     1.4259 
  Br   9    2.1791     2.4738     2.1845     1.4273     3.2950     1.6451 

              C   7      C   8     Br   9
              ---------------------------------
   C   7    0.0000 
   C   8    0.8292     0.0000 
  Br   9    1.4324     0.8251     0.0000 



ATOMIC CHARGES
   C   1    0.0445381220
   C   2    0.1167658933
   N   3   -0.2365351332
   C   4    0.0987676637
  Br   5   -0.0279910178
   N   6   -0.1274227382
   C   7    0.1074100242
   C   8    0.0704405020
  Br   9   -0.0459733160


BOND ANGLES
   7    3    2  Car  Nar  Car    119.863
   3    2    1  Nar  Car  Car    120.069
   9    8    4   Br  Car  Car    119.967
   8    4    1  Car  Car  Car    119.863
   2    3    7  Car  Nar  Car    119.863
   3    7    8  Nar  Car  Car    120.069
   4    8    9  Car  Car   Br    119.967


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