SMILES:C(F)(F)(F)CCCSc1ccc([B](O)O)cc1	

FORMULA: C10H12BF3O2S
MASS: 264.0723
EXACT MASS: 264.0603157
INTERATOMIC DISTANCES

              C   1      B   2      C   3      C   4      C   5      F   6
              ------------------------------------------------------------------
   C   1    0.0000 
   B   2    5.4514     0.0000 
   C   3    4.6485     0.8228     0.0000 
   C   4    4.4959     1.4229     0.8250     0.0000 
   C   5    4.1168     1.4292     0.8233     1.4280     0.0000 
   F   6    0.8221     6.1901     5.3768     5.1521     4.8902     0.0000 
   F   7    0.8284     6.0441     5.2649     5.1959     4.6577     1.0064 
   F   8    0.8254     5.3330     4.5115     4.2169     4.1079     0.9995 
   O   9    5.8643     0.8296     1.4839     2.2145     1.7500     6.6402 
   O  10    6.0985     0.8250     1.4771     1.7301     2.2127     6.8030 
   C  11    3.0795     2.4735     1.6508     1.4250     1.4352     3.7637 
   S  12    2.4679     3.2832     2.4635     2.0988     2.2474     3.0671 
   C  13    3.2994     2.1795     1.4250     1.6466     0.8233     4.0679 
   C  14    3.7625     2.1829     1.4352     0.8275     1.6583     4.3788 
   C  15    0.8309     4.7280     3.9449     3.8906     3.3547     1.6529 
   C  16    1.9267     3.5361     2.7263     2.5958     2.2581     2.6549 
   C  17    1.1667     4.3548     3.5395     3.3366     3.0870     1.8381 

              F   7      F   8      O   9      O  10      C  11      S  12
              ------------------------------------------------------------------
   F   7    0.0000 
   F   8    1.5969     0.0000 
   O   9    6.3802     5.8465     0.0000 
   O  10    6.7352     5.9008     1.3112     0.0000 
   C  11    3.7708     2.8685     3.0587     3.0402     0.0000 
   S  12    3.2341     2.1184     3.8888     3.7964     0.8309     0.0000 
   C  13    3.8654     3.2891     2.5728     2.9011     0.8333     1.5375 
   C  14    4.5007     3.4234     2.9167     2.5575     0.8233     1.3117 
   C  15    1.3205     1.3112     5.0911     5.4147     2.4679     2.0194 
   C  16    2.6001     1.8528     4.0030     4.1718     1.1708     0.8279 
   C  17    1.9312     1.0345     4.8326     4.9668     1.9307     1.3059 

              C  13      C  14      C  15      C  16      C  17
              -------------------------------------------------------
   C  13    0.0000 
   C  14    1.4352     0.0000 
   C  15    2.5522     3.2266     0.0000 
   C  16    1.4371     1.9279     1.3019     0.0000 
   C  17    2.2650     2.5958     0.8250     0.8296     0.0000 



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


BOND ANGLES
   3    5   13  Car  Car  Car    119.863
   5   13   11  Car  Car  Car    120.069
  13    5    3  Car  Car  Car    119.863
   5    3    4  Car  Car  Car    120.069


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