SMILES:n1c(F)ccc(c1)C	

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    0.7468     0.0000 
   C   3    0.7432     1.2875     0.0000 
   F   4    1.2875     0.7432     1.9653     0.0000 
   C   5    1.2864     0.7375     1.4838     1.2843     0.0000 
   C   6    1.2843     1.4838     0.7375     2.2270     1.2875     0.0000 
   C   7    1.4875     1.2864     1.2843     1.9673     0.7468     0.7432 
   C   8    1.9610     2.2264     1.2792     2.9696     1.9678     0.7426 

              C   7      C   8
              ----------------------
   C   7    0.0000 
   C   8    1.2875     0.0000 



ATOMIC CHARGES
   N   1   -0.2167883586
   C   2    0.2223106603
   C   3    0.0969922304
   F   4   -0.1832063185
   C   5    0.0493567188
   C   6   -0.0025346526
   C   7    0.0012110530
   C   8    0.0326586672


BOND ANGLES
   7    5    2  Car  Car  Car    120.143
   5    2    1  Car  Car  Nar    120.143
   2    5    7  Car  Car  Car    120.143
   5    7    6  Car  Car  Car    119.556


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