SMILES:c1(c(ccc(n1)C)Br)F	ChemMol.com

FORMULA: C6H5BrFN
MASS: 190.0130
EXACT MASS: 188.9589394
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5230     0.0000 
   C   3    2.6379     1.5230     0.0000 
   C   4    3.0460     2.6379     1.5230     0.0000 
   C   5    2.6379     3.0460     2.6379     1.5230     0.0000 
   N   6    1.5230     2.6379     3.0460     2.6379     1.5230     0.0000 
   C   7    4.0295     4.5690     4.0295     2.6379     1.5230     2.6379 
   F   8    1.5230     2.6379     4.0295     4.5689     4.0294     2.6379 
  Br   9    2.6379     1.5230     2.6379     4.0294     4.5689     4.0295 

              C   7      F   8     Br   9
              ---------------------------------
   C   7    0.0000 
   F   8    5.2758     0.0000 
  Br   9    6.0920     3.0460     0.0000 



ATOMIC CHARGES
   C   1    0.2281347442
   C   2    0.0804300660
   C   3    0.0117534934
   C   4    0.0154062994
   C   5    0.0617487208
   N   6   -0.2219493881
   C   7    0.0521702739
   F   8   -0.1826810891
  Br   9   -0.0450131206


BOND ANGLES
   6    1    2  Nar  Car  Car    119.999
   1    2    3  Car  Car  Car    119.999
   1    2    9  Car  Car   Br    120.001
   8    1    2    F  Car  Car    120.001
   1    2    3  Car  Car  Car    119.999
   1    2    9  Car  Car   Br    120.001
   9    2    3   Br  Car  Car    120.000
   2    3    4  Car  Car  Car    120.000
   7    5    6   C3  Car  Nar    120.000
   2    1    6  Car  Car  Nar    119.999
   8    1    6    F  Car  Nar    120.000
   6    5    7  Nar  Car   C3    120.000
   2    1    8  Car  Car    F    120.001
   6    1    8  Nar  Car    F    120.000
   3    2    9  Car  Car   Br    120.000


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