SMILES:c1([B](O)O)c(SCCCC(F)(F)F)cccc1	

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

              C   1      B   2      C   3      C   4      F   5      F   6
              ------------------------------------------------------------------
   C   1    0.0000 
   B   2    0.8250     0.0000 
   C   3    3.7625     3.8533     0.0000 
   C   4    0.8233     1.4301     3.0795     0.0000 
   F   5    4.3788     4.3475     0.8221     3.7637     0.0000 
   F   6    4.5007     4.6506     0.8284     3.7708     1.0064     0.0000 
   F   7    3.4234     3.3515     0.8254     2.8685     0.9995     1.5969 
   O   8    1.4870     0.8366     4.6275     2.2235     5.0647     5.4378 
   O   9    1.4778     0.8226     3.3834     1.7430     3.7630     4.2074 
   S  10    1.3117     1.4572     2.4679     0.8309     3.0671     3.2341 
   C  11    0.8275     1.4331     4.4959     1.4250     5.1521     5.1959 
   C  12    3.2266     3.4738     0.8309     2.4679     1.6529     1.3205 
   C  13    1.4352     2.1913     3.2994     0.8333     4.0679     3.8654 
   C  14    1.9279     2.2570     1.9267     1.1708     2.6549     2.6001 
   C  15    2.5958     2.7240     1.1667     1.9307     1.8381     1.9312 
   C  16    1.4352     2.1886     4.6485     1.6508     5.3768     5.2649 
   C  17    1.6583     2.4833     4.1168     1.4352     4.8902     4.6577 

              F   7      O   8      O   9      S  10      C  11      C  12
              ------------------------------------------------------------------
   F   7    0.0000 
   O   8    4.0653     0.0000 
   O   9    2.7668     1.3208     0.0000 
   S  10    2.1184     2.2854     1.3267     0.0000 
   C  11    4.2169     1.7462     2.2153     2.0988     0.0000 
   C  12    1.3112     4.2933     3.1659     2.0194     3.8906     0.0000 
   C  13    3.2891     2.9213     2.5759     1.5375     1.6466     2.5522 
   C  14    1.8528     3.0925     2.1366     0.8279     2.5958     1.3019 
   C  15    1.0345     3.5243     2.3529     1.3059     3.3366     0.8250 
   C  16    4.5115     2.5711     2.9113     2.4635     0.8250     3.9449 
   C  17    4.1079     3.0587     3.0565     2.2474     1.4280     3.3547 

              C  13      C  14      C  15      C  16      C  17
              -------------------------------------------------------
   C  13    0.0000 
   C  14    1.4371     0.0000 
   C  15    2.2650     0.8296     0.0000 
   C  16    1.4250     2.7263     3.5395     0.0000 
   C  17    0.8233     2.2581     3.0870     0.8233     0.0000 



ATOMIC CHARGES
   C   1    0.0000000000
   B   2    0.0000000000
   C   3    0.0000000000
   C   4    0.0000000000
   F   5    0.0000000000
   F   6    0.0000000000
   F   7    0.0000000000
   O   8    0.0000000000
   O   9    0.0000000000
   S  10    0.0000000000
   C  11    0.0000000000
   C  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
  17   13    4  Car  Car  Car    120.069
  13    4    1  Car  Car  Car    120.069
   4   13   17  Car  Car  Car    120.069
  13   17   16  Car  Car  Car    119.863


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