SMILES:[B](c1cc(OCc2ccccc2)c(cc1)F)(O)O	

FORMULA: C13H12BFO3
MASS: 246.0420
EXACT MASS: 246.0863529
INTERATOMIC DISTANCES

              B   1      C   2      C   3      C   4      O   5      C   6
              ------------------------------------------------------------------
   B   1    0.0000 
   C   2    2.6027     0.0000 
   C   3    1.5080     1.5000     0.0000 
   C   4    3.9645     1.4865     2.5903     0.0000 
   O   5    5.1930     2.5903     3.9635     1.5000     0.0000 
   C   6    4.4953     2.5834     2.9873     1.5008     2.5986     0.0000 
   C   7    2.5917     2.5903     1.4865     3.0000     4.5000     2.5986 
   C   8    3.9633     2.9873     2.5834     2.5986     3.9689     1.5000 
   O   9    1.5000     3.9717     2.6027     5.1930     6.5358     5.4044 
   O  10    1.5008     3.0089     2.6083     4.4953     5.4044     5.4040 
   C  11    5.4106     3.0000     4.5000     2.5903     1.4865     3.9590 
   F  12    5.9961     3.9552     4.4881     2.6000     3.0017     1.5008 
   C  13    6.8756     4.5000     6.0000     3.9635     2.5903     5.1888 
   C  14    7.5000     5.4106     6.8756     5.1930     3.9645     6.5351 
   C  15    7.9352     5.4046     6.8709     4.5000     3.0000     5.4086 
   C  16    9.3657     6.8709     8.3492     6.0000     4.5000     6.8740 
   C  17    9.0000     6.8756     8.3531     6.5358     5.1930     7.7915 
   C  18    9.8374     7.5000     9.0000     6.8709     5.4046     7.9325 

              C   7      C   8      O   9      O  10      C  11      F  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.5008     0.0000 
   O   9    2.9945     4.4953     0.0000 
   O  10    3.9633     5.1917     2.5986     0.0000 
   C  11    5.4046     5.1888     6.8756     5.2013     0.0000 
   F  12    3.9699     2.5986     6.8705     6.8706     4.4881     0.0000 
   C  13    6.8709     6.5325     8.3531     6.5424     1.5000     5.3985 
   C  14    7.9352     7.7915     9.0000     6.8740     2.6027     6.8705 
   C  15    7.5000     6.8740     9.3657     7.7915     2.5903     5.1971 
   C  16    9.0000     8.3518    10.8151     9.1218     3.9635     6.5391 
   C  17    9.3657     9.1218    10.5000     8.3518     3.9717     7.9343 
   C  18    9.8341     9.3634    11.3258     9.3703     4.5000     7.7874 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.5080     0.0000 
   C  15    1.4865     2.5917     0.0000 
   C  16    2.5903     2.9945     1.5000     0.0000 
   C  17    2.6027     1.5000     2.9945     2.5917     0.0000 
   C  18    3.0000     2.6027     2.5903     1.4865     1.5080     0.0000 




ATOMIC CHARGES
   B   1    0.0000000000
   C   2    0.0000000000
   C   3    0.0000000000
   C   4    0.0000000000
   O   5    0.0000000000
   C   6    0.0000000000
   C   7    0.0000000000
   C   8    0.0000000000
   O   9    0.0000000000
   O  10    0.0000000000
   C  11    0.0000000000
   F  12    0.0000000000
   C  13    0.0000000000
   C  14    0.0000000000
   C  15    0.0000000000
   C  16    0.0000000000
   C  17    0.0000000000
   C  18    0.0000000000


BOND ANGLES
   6    4    2  Car  Car  Car    119.717
   4    2    3  Car  Car  Car    120.301
  17   18   16  Car  Car  Car    119.875
  18   16   15  Car  Car  Car    120.301
   2    4    6  Car  Car  Car    119.717
   4    6    8  Car  Car  Car    119.982
  16   18   17  Car  Car  Car    119.875
  18   17   14  Car  Car  Car    119.824


TORSION ANGLES
   4    2    3    1    179.974
   4    2    3    7      0.026
   2    3    1    9    179.974
   2    3    1   10      0.026
   7    3    1    9      0.026
   7    3    1   10    179.974
   5    4    2    3    179.974
   6    4    2    3      0.026
  11    5    4    2      0.026
  11    5    4    6    179.974
  12    6    8    7    179.974
   4    6    8    7      0.026
   8    7    3    2      0.026
   8    7    3    1    179.974
   6    8    7    3      0.026
  13   11    5    4    179.974
  14   13   11    5    179.974
  15   13   11    5      0.026
  17   14   13   11    179.974
  17   14   13   15      0.026
  16   15   13   11    179.974
  16   15   13   14      0.026
  18   16   15   13      0.026
  18   17   14   13      0.026
  17   18   16   15      0.026
   2    4    6    8      0.026
   2    4    6   12    179.974
   5    4    6    8    179.974
   5    4    6   12      0.026
  16   18   17   14      0.026