SMILES:S(=O)(=O)(c1cnc(Oc2ccccc2)cc1)Cl	

FORMULA: C11H8ClNO3S
MASS: 269.7041
EXACT MASS: 268.9913418
INTERATOMIC DISTANCES

              S   1      C   2      N   3      O   4      O   5      C   6
              ------------------------------------------------------------------
   S   1    0.0000 
   C   2    1.1882     0.0000 
   N   3    3.1773     2.0968     0.0000 
   O   4    1.2027     1.1875     3.1798     0.0000 
   O   5    1.2135     2.4016     4.3440     2.0875     0.0000 
   C   6    3.6022     2.4141     1.1949     3.1808     4.8157     0.0000 
   C   7    2.0947     1.2334     1.1919     2.4208     3.2047     2.0751 
  Cl   8    1.2264     2.1003     3.6214     2.4291     1.2209     4.3504 
   C   9    2.0876     1.2093     2.4125     1.2032     3.1920     2.0884 
   O  10    4.8094     3.6213     2.0833     4.3381     6.0229     1.2073 
   C  11    3.1782     2.0875     2.0864     2.4016     4.3406     1.2125 
   C  12    5.4959     4.3326     3.1746     4.7960     6.6900     2.0794 
   C  13    6.6900     5.5171     4.1625     6.0095     7.8900     3.1831 
   C  14    5.2345     4.1667     3.6102     4.3281     6.3628     2.4154 
   C  15    6.2544     5.2540     4.8237     5.2469     7.3258     3.6288 
   C  16    7.5107     6.3741     5.2457     6.6977     8.6812     4.1751 
   C  17    7.3216     6.2625     5.5202     6.3710     8.4317     4.3522 

              C   7     Cl   8      C   9      O  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
  Cl   8    2.4295     0.0000 
   C   9    2.1065     3.2130     0.0000 
   O  10    3.1775     5.5301     3.1871     0.0000 
   C  11    2.4138     4.1876     1.1985     2.0910     0.0000 
   C  12    4.1545     6.3721     3.5929     1.2019     2.3944     0.0000 
   C  13    5.2345     7.5260     4.8064     2.0792     3.6079     1.2135 
   C  14    4.3382     6.2669     3.1708     2.0952     2.0793     1.2042 
   C  15    5.5260     7.3463     4.1668     3.2006     3.1910     2.0947 
   C  16    6.2502     8.4418     5.5105     3.1861     4.3406     2.0958 
   C  17    6.3738     8.3626     5.2450     3.6189     4.1750     2.4171 

              C  13      C  14      C  15      C  16      C  17
              -------------------------------------------------------
   C  13    0.0000 
   C  14    2.0947     0.0000 
   C  15    2.4208     1.2135     0.0000 
   C  16    1.2098     2.4171     2.0926     0.0000 
   C  17    2.0926     2.0958     1.2098     1.2042     0.0000 



ATOMIC CHARGES
   S   1    0.0823664151
   C   2    0.1415562451
   N   3   -0.2084235677
   O   4   -0.1528614484
   O   5   -0.1528614484
   C   6    0.2297642455
   C   7    0.1217674197
  Cl   8    0.0603730423
   C   9    0.0261742655
   O  10   -0.4361047238
   C  11    0.0594791609
   C  12    0.1471909177
   C  13    0.0375561659
   C  14    0.0375561659
   C  15    0.0031325411
   C  16    0.0031325411
   C  17    0.0002020622


BOND ANGLES
   6    3    7  Car  Nar  Car    120.783
   3    7    2  Nar  Car  Car    119.655
  17   16   13  Car  Car  Car    120.185
  16   13   12  Car  Car  Car    119.730
   7    3    6  Car  Nar  Car    120.783
   3    6   11  Nar  Car  Car    120.142
  13   16   17  Car  Car  Car    120.185
  16   17   15  Car  Car  Car    120.185


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