SMILES:C1(=C(CCC1)C)CBr	

FORMULA: C7H11Br
MASS: 175.0662
EXACT MASS: 174.0044124
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8250     0.0000 
   C   3    1.3361     0.8252     0.0000 
   C   4    1.3362     1.3362     0.8276     0.0000 
   C   5    0.8238     1.3327     1.3343     0.8241     0.0000 
   C   6    0.8250     1.4707     2.1361     2.1358     1.4696     0.0000 
  Br   7    1.4289     2.2085     2.7499     2.5254     1.7233     0.8249 
   C   8    1.4680     2.1323     2.1342     1.4682     0.8250     1.7925 

             Br   7      C   8
              ----------------------
  Br   7    0.0000 
   C   8    1.6405     0.0000 



ATOMIC CHARGES
   C   1   -0.0407693244
   C   2    0.0225856402
   C   3    0.0086666365
   C   4    0.0217558388
   C   5   -0.0509440626
   C   6    0.0889586608
  Br   7   -0.0759813940
   C   8    0.0257280046


BOND ANGLES
   8    5    1   C3   C2   C2    125.824
   5    1    2   C2   C2   C3    107.848
   5    1    6   C2   C2   C3    126.077
   6    1    2   C3   C2   C3    126.075
   1    2    3   C2   C3   C3    108.132
   2    1    6   C3   C2   C3    126.075
   1    6    7   C2   C3   Br    120.001
   1    5    8   C2   C2   C3    125.824


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