SMILES:n1c(c(cc(c1)Br)Cl)OC	

FORMULA: C6H5BrClNO
MASS: 222.4670
EXACT MASS: 220.9243035
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7447     0.0000 
   C   3    1.2935     0.7500     0.0000 
   C   4    1.4875     1.2900     0.7426     0.0000 
   C   5    1.2843     1.4859     1.2875     0.7432     0.0000 
   C   6    0.7411     1.2875     1.4900     1.2879     0.7417     0.0000 
  Cl   7    1.9736     1.2951     0.7432     1.2875     1.9669     2.2333 
   O   8    1.2875     0.7411     1.2915     1.9673     2.2270     1.9645 
  Br   9    1.9641     2.2305     1.9670     1.2875     0.7447     1.2864 
   C  10    1.4859     1.2843     1.9699     2.5743     2.6758     2.2270 

             Cl   7      O   8     Br   9      C  10
              --------------------------------------------
  Cl   7    0.0000 
   O   8    1.4958     0.0000 
  Br   9    2.5750     2.9717     0.0000 
   C  10    2.2375     0.7417     3.4031     0.0000 



ATOMIC CHARGES
   N   1   -0.2089000883
   C   2    0.2358250479
   C   3    0.1112083738
   C   4    0.0243644275
   C   5    0.0547625369
   C   6    0.1087459412
  Cl   7   -0.0773587927
   O   8   -0.4555546424
  Br   9   -0.0473518282
   C  10    0.2542590244


BOND ANGLES
   4    3    2  Car  Car  Car    119.589
   3    2    1  Car  Car  Nar    119.863
   2    3    4  Car  Car  Car    119.589
   3    4    5  Car  Car  Car    120.110


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