SMILES:c1c(nc(cc1C)Br)F	

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

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8274     0.0000 
   N   3    1.4309     0.8255     0.0000 
   C   4    1.6520     1.4313     0.8272     0.0000 
   C   5    1.4272     1.6525     1.4341     0.8305     0.0000 
   C   6    0.8228     1.4305     1.6530     1.4327     0.8241     0.0000 
   F   7    1.4313     0.8250     1.4296     2.1854     2.4775     2.1835 
  Br   8    2.4769     2.1854     1.4316     0.8250     1.4345     2.1864 
   C   9    1.4266     2.1839     2.4780     2.1868     1.4277     0.8250 

              F   7     Br   8      C   9
              ---------------------------------
   F   7    0.0000 
  Br   8    2.8612     0.0000 
   C   9    2.8578     2.8622     0.0000 



ATOMIC CHARGES
   C   1    0.0454580350
   C   2    0.2224278263
   N   3   -0.2111930635
   C   4    0.1174059669
   C   5    0.0218918491
   C   6   -0.0160421943
   F   7   -0.1832017549
  Br   8   -0.0279671020
   C   9    0.0312204374


BOND ANGLES
   8    4    5   Br  Car  Car    120.112
   4    5    6  Car  Car  Car    119.963
   7    2    3    F  Car  Nar    120.035
   2    3    4  Car  Nar  Car    120.004
   9    6    1   C3  Car  Car    119.938
   6    1    2  Car  Car  Car    120.188
   3    2    7  Nar  Car    F    120.035
   5    4    8  Car  Car   Br    120.112
   1    6    9  Car  Car   C3    119.938


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