SMILES:C(/C=C(/CC)C)Br	

FORMULA: C6H11Br
MASS: 163.0555
EXACT MASS: 162.0044124
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5     Br   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8250     0.0000 
   C   3    1.4290     0.8250     0.0000 
   C   4    2.1827     1.4289     0.8249     0.0000 
   C   5    2.8579     2.1827     1.4289     0.8250     0.0000 
  Br   6    0.8249     1.4289     2.1827     2.8578     3.5960     0.0000 
   C   7    1.6501     1.4290     0.8250     1.4289     1.6500     2.4750 

              C   7
              -----------
   C   7    0.0000 



ATOMIC CHARGES
   C   1    0.0928676638
   C   2   -0.0223495983
   C   3   -0.0473171632
   C   4    0.0217367415
   C   5    0.0046640902
  Br   6   -0.0756443792
   C   7    0.0260426452


BOND ANGLES
   7    3    4   C3   C2   C3    120.002
   3    4    5   C2   C3   C3    119.999
   2    1    6   C2   C3   Br    119.999
   6    1    2   Br   C3   C2    119.999
   1    2    3   C3   C2   C2    120.002
   4    3    7   C3   C2   C3    120.002


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