SMILES:n1cc(cc(c1)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    1.2864     0.0000 
   C   3    1.4875     0.7468     0.0000 
   F   4    1.9673     0.7432     1.2875     0.0000 
   C   5    1.2843     1.2875     0.7432     1.9653     0.0000 
   C   6    0.7468     0.7375     1.2864     1.2843     1.4838     0.0000 
   C   7    0.7432     1.4838     1.2843     2.2270     0.7375     1.2875 
   C   8    1.9610     1.9678     1.2875     2.5750     0.7426     2.2264 

              C   7      C   8
              ----------------------
   C   7    0.0000 
   C   8    1.2792     0.0000 



ATOMIC CHARGES
   N   1   -0.2402945541
   C   2    0.1589029866
   C   3    0.0285288532
   F   4   -0.2025384509
   C   5   -0.0004534092
   C   6    0.1283806993
   C   7    0.0947429489
   C   8    0.0327309261


BOND ANGLES
   3    2    6  Car  Car  Car    120.143
   2    6    1  Car  Car  Nar    120.143
   6    2    3  Car  Car  Car    120.143
   2    3    5  Car  Car  Car    119.556


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