SMILES:n1c(c(cc(c1)C)I)F	

FORMULA: C6H5FIN
MASS: 237.0135
EXACT MASS: 236.9450754
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      F   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7468     0.0000 
   C   3    1.2864     0.7375     0.0000 
   C   4    1.4875     1.2864     0.7468     0.0000 
   C   5    0.7432     1.2875     1.4838     1.2843     0.0000 
   F   6    1.2875     0.7432     1.2843     1.9673     1.9653     0.0000 
   I   7    1.9673     1.2843     0.7432     1.2875     2.2270     1.4875 
   C   8    1.2843     1.4838     1.2875     0.7432     0.7375     2.2270 
   C   9    1.9610     2.2264     1.9678     1.2875     1.2792     2.9696 

              I   7      C   8      C   9
              ---------------------------------
   I   7    0.0000 
   C   8    1.9653     0.0000 
   C   9    2.5750     0.7426     0.0000 



ATOMIC CHARGES
   N   1   -0.2164318675
   C   2    0.2276006460
   C   3    0.0756416412
   C   4    0.0069035377
   C   5    0.0970185353
   F   6   -0.1827451813
   I   7   -0.0385462230
   C   8   -0.0021136040
   C   9    0.0326725155


BOND ANGLES
   4    3    2  Car  Car  Car    120.143
   3    2    1  Car  Car  Nar    120.143
   2    3    4  Car  Car  Car    120.143
   3    4    8  Car  Car  Car    119.556


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