SMILES:c1(c(cc(o1)C=O)Br)Br	ChemMol.com

FORMULA: C5H2Br2O2
MASS: 253.8762
EXACT MASS: 251.8421533
INTERATOMIC DISTANCES

              C   1      C   2      C   3      O   4      C   5     Br   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    3.9377     0.0000 
   C   3    6.3785     3.9225     0.0000 
   O   4    3.9363     6.3468     6.3600     0.0000 
   C   5    6.3919     6.3640     3.9416     3.9410     0.0000 
  Br   6    3.8787     6.9701    10.1366     6.9755    10.1542     0.0000 
   C   7   10.1894    10.1583     7.0008     7.0125     3.9151    13.8112 
  Br   8    6.9753     3.8945     6.9533    10.1248    10.1356     8.5107 
   O   9   13.0985    12.0020     8.1894    10.5130     6.7813    16.9167 

              C   7     Br   8      O   9
              ---------------------------------
   C   7    0.0000 
  Br   8   13.7827     0.0000 
   O   9    3.9189    15.0787     0.0000 



ATOMIC CHARGES
   C   1    0.1852689258
   C   2    0.0786458254
   C   3    0.0512333901
   O   4   -0.4430646502
   C   5    0.1886506353
  Br   6   -0.0072663014
   C   7    0.2714385091
  Br   8   -0.0451742080
   O   9   -0.2797321261


BOND ANGLES
   5    3    2  Car  Car  Car    108.045
   3    2    1  Car  Car  Car    108.484
   2    3    5  Car  Car  Car    108.045
   3    5    4  Car  Car   O2    107.577


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