SMILES:n1c(c(ccc1OC)Br)C	

FORMULA: C7H8BrNO
MASS: 202.0485
EXACT MASS: 200.9789259
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7468     0.0000 
   C   3    0.7432     1.2875     0.0000 
   C   4    1.2900     0.7417     1.4859     0.0000 
   C   5    1.4875     1.2864     1.2843     0.7447     0.0000 
   C   6    1.2879     1.4859     0.7417     1.2875     0.7411     0.0000 
  Br   7    1.9705     1.2879     2.2291     0.7432     1.2875     1.9653 
   O   8    1.2875     1.9693     0.7468     2.2326     1.9673     1.2900 
   C   9    1.2875     0.7432     1.9653     1.2879     1.9673     2.2291 
   C  10    1.9653     2.5750     1.2875     2.6797     2.2270     1.4859 

             Br   7      O   8      C   9      C  10
              --------------------------------------------
  Br   7    0.0000 
   O   8    2.9759     0.0000 
   C   9    1.4917     2.5750     0.0000 
   C  10    3.4050     0.7432     3.2385     0.0000 



ATOMIC CHARGES
   N   1   -0.2155515360
   C   2    0.0686163534
   C   3    0.2246635952
   C   4    0.0483418097
   C   5    0.0126691503
   C   6    0.0581994779
  Br   7   -0.0477697621
   O   8   -0.4561286601
   C   9    0.0527275437
   C  10    0.2542320280


BOND ANGLES
   5    4    2  Car  Car  Car    119.863
   4    2    1  Car  Car  Nar    120.143
   2    4    5  Car  Car  Car    119.863
   4    5    6  Car  Car  Car    120.116


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