SMILES:c1(C(=O)O)c(ccc(c1)I)F	

FORMULA: C7H4FIO2
MASS: 266.0083
EXACT MASS: 265.9240056
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      O   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.4792     0.0000 
   C   3    1.4301     2.5127     0.0000 
   C   4    1.4250     2.5212     2.4735     0.0000 
   O   5    2.5212     1.4250     2.9050     3.8191     0.0000 
   C   6    2.4834     3.8325     1.4373     2.8632     4.3424     0.0000 
   C   7    2.4734     3.8307     2.8583     1.4300     4.9946     2.4776 
   O   8    2.4919     1.4099     3.7904     2.8891     2.4595     4.9751 
   F   9    2.4756     2.8759     1.4250     3.7767     2.5169     2.4756 
   C  10    2.8632     4.3424     2.4777     2.4834     5.2044     1.4250 
   I  11    3.7792     4.9982     4.2875     2.4771     6.2711     3.7819 

              C   7      O   8      F   9      C  10      I  11
              -------------------------------------------------------
   C   7    0.0000 
   O   8    4.3191     0.0000 
   F   9    4.2833     4.2855     0.0000 
   C  10    1.4373     5.1855     3.7767     0.0000 
   I  11    1.4292     5.1890     5.7125     2.4813     0.0000 



ATOMIC CHARGES
   C   1    0.1075534754
   C   2    0.3899444212
   C   3    0.1464859469
   C   4    0.0146329902
   O   5   -0.2404710676
   C   6    0.0302899043
   C   7    0.0304148616
   O   8   -0.2404710676
   F   9   -0.2039521445
   C  10    0.0080912736
   I  11   -0.0425185934


BOND ANGLES
   6   10    7  Car  Car  Car    119.906
  10    7    4  Car  Car  Car    120.020
   7   10    6  Car  Car  Car    119.906
  10    6    3  Car  Car  Car    119.910


TORSION ANGLES
   5    2    1    3      0.026
   5    2    1    4    179.974
   8    2    1    3    179.974
   8    2    1    4      0.026
   6    3    1    2    179.974
   6    3    1    4      0.026
   9    3    1    2      0.026
   9    3    1    4    179.974
   7    4    1    2    179.974
   7    4    1    3      0.026
  10    6    3    1      0.026
  10    6    3    9    179.974
  10    7    4    1      0.026
  11    7    4    1    179.974
   6   10    7    4      0.026
   6   10    7   11    179.974
   7   10    6    3      0.026