SMILES:n1c(cc(cc1)C)F	

FORMULA: C6H6FN
MASS: 111.1169
EXACT MASS: 111.0484274
INTERATOMIC DISTANCES

              N   1      C   2      C   3      F   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7396     0.0000 
   C   3    1.2859     0.7417     0.0000 
   F   4    1.2875     0.7504     1.2921     0.0000 
   C   5    0.7432     1.2792     1.4787     1.9653     0.0000 
   C   6    1.4875     1.2822     0.7375     1.9673     1.2843     0.0000 
   C   7    1.2879     1.4787     1.2792     2.2291     0.7417     0.7411 
   C   8    2.2292     1.9621     1.2843     2.5764     1.9607     0.7417 

              C   7      C   8
              ----------------------
   C   7    0.0000 
   C   8    1.2822     0.0000 



ATOMIC CHARGES
   N   1   -0.2164745938
   C   2    0.2220134996
   C   3    0.0454277684
   F   4   -0.1832168667
   C   5    0.1009662494
   C   6   -0.0164985483
   C   7    0.0165779986
   C   8    0.0312044929


BOND ANGLES
   6    3    2  Car  Car  Car    120.184
   3    2    1  Car  Car  Nar    120.466
   2    3    6  Car  Car  Car    120.184
   3    6    7  Car  Car  Car    119.795


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