SMILES:c12c(CC(C1O)N)ccc(c2)F	

FORMULA: C9H10FNO
MASS: 167.1802
EXACT MASS: 167.0746422
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6000     0.0000 
   C   3    0.6009     0.9727     0.0000 
   C   4    0.9685     0.9685     0.6001     0.0000 
   C   5    0.9693     0.5996     0.9708     0.5967     0.0000 
   C   6    0.6010     1.0398     1.0975     1.5616     1.5380     0.0000 
   C   7    1.0398     0.6010     1.5409     1.5616     1.0979     1.2000 
   N   8    1.5502     1.5502     1.0678     0.6000     1.0659     2.1280 
   C   9    1.0416     1.2021     1.6234     1.9853     1.7927     0.6010 
   O  10    1.0695     1.5536     0.5995     1.0713     1.5525     1.3549 
   C  11    1.2021     1.0416     1.7945     1.9853     1.6229     1.0398 
   F  12    1.5869     1.7995     2.1322     2.5508     2.3889     1.0375 

              C   7      N   8      C   9      O  10      C  11      F  12
              ------------------------------------------------------------------
   C   7    0.0000 
   N   8    2.1280     0.0000 
   C   9    1.0398     2.5800     0.0000 
   O  10    2.0918     1.3068     1.9493     0.0000 
   C  11    0.6010     2.5800     0.6000     2.2516     0.0000 
   F  12    1.5863     3.1371     0.5975     2.3575     1.0378     0.0000 




ATOMIC CHARGES
   C   1    0.0074713024
   C   2   -0.0220499661
   C   3    0.1917412962
   C   4    0.1306134064
   C   5    0.0480696921
   C   6    0.0275355945
   C   7   -0.0021485567
   N   8   -0.1295054836
   C   9    0.1398881263
   O  10   -0.2167310809
   C  11    0.0292972119
   F  12   -0.2041815426


BOND ANGLES
   5    4    3   C3   C3   C3    108.412
   4    3    1   C3   C3  Car    107.495
  11    7    2  Car  Car  Car    120.113
   7    2    1  Car  Car  Car    119.944
   3    4    5   C3   C3   C3    108.412
   4    5    2   C3   C3  Car    108.111
   2    7   11  Car  Car  Car    120.113
   7   11    9  Car  Car  Car    119.944


TORSION ANGLES
   5    2    1    3      0.026
   5    2    1    6    179.974
   7    2    1    3    179.974
   7    2    1    6      0.026
   4    3    1    2      0.026
   4    3    1    6    179.974
  10    3    1    2    179.974
  10    3    1    6      0.026
   8    4    3    1    179.974
   8    4    3   10      0.026
   5    4    3    1      0.026
   5    4    3   10    179.974
   4    5    2    1      0.026
   4    5    2    7    179.974
   9    6    1    2      0.026
   9    6    1    3    179.974
  11    7    2    1      0.026
  11    7    2    5    179.974
  11    9    6    1      0.026
  12    9    6    1    179.974
   7   11    9    6      0.026
   7   11    9   12    179.974
   3    4    5    2      0.026
   8    4    5    2    179.974
   2    7   11    9      0.026


CHIRAL ATOMS
   C     3 is chiral: counterclockwise
   C     4 is chiral: counterclockwise