SMILES:S(=O)(=O)(c1cc(c(c(c1)Cl)N)Cl)N	

FORMULA: C6H6Cl2N2O2S
MASS: 241.0950
EXACT MASS: 239.9527038
INTERATOMIC DISTANCES

              S   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   S   1    0.0000 
   C   2    1.3291     0.0000 
   C   3    3.9833     2.6542     0.0000 
   C   4    3.5037     2.2885     1.3242     0.0000 
   C   5    3.5157     2.3020     1.3308     2.2959     0.0000 
   C   6    2.2947     1.3267     2.3092     2.6529     1.3375     0.0000 
   C   7    2.2884     1.3158     2.3029     1.3292     2.6571     2.2959 
   O   8    1.3292     1.8797     4.1992     4.1326     3.3254     1.9910 
   O   9    1.3250     1.8767     4.1979     3.3176     4.1442     3.1749 
   N  10    1.3250     2.6541     5.3083     4.7760     4.7870     3.5039 
   N  11    5.3083     3.9792     1.3250     2.2993     2.2983     3.5196 
  Cl  12    4.6177     3.5278     2.3001     1.3491     3.5211     4.0019 
  Cl  13    4.6167     3.5297     2.3125     3.5211     1.3406     2.3220 

              C   7      O   8      O   9      N  10      N  11     Cl  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    3.1684     0.0000 
   O   9    1.9918     2.6542     0.0000 
   N  10    3.4998     1.8768     1.8738     0.0000 
   N  11    3.5156     5.4722     5.4712     6.6333     0.0000 
  Cl  12    2.3292     5.4041     4.1211     5.8042     2.6440     0.0000 
  Cl  13    3.9977     4.1150     5.4035     5.8016     2.6590     4.6125 

             Cl  13
              -----------
  Cl  13    0.0000 



ATOMIC CHARGES
   S   1    0.0935525336
   C   2    0.1268131568
   C   3    0.1101642739
   C   4    0.0765235770
   C   5    0.0765235770
   C   6    0.0328122677
   C   7    0.0328122677
   O   8   -0.1502944419
   O   9   -0.1502944419
   N  10    0.0392108743
   N  11   -0.1262865158
  Cl  12   -0.0807685643
  Cl  13   -0.0807685643


BOND ANGLES
   3    5    6  Car  Car  Car    119.855
   5    6    2  Car  Car  Car    119.545
   6    5    3  Car  Car  Car    119.855
   5    3    4  Car  Car  Car    119.708


TORSION ANGLES
   6    2    1    8      0.026
   6    2    1    9    179.974
   6    2    1   10    180.000
   7    2    1    8    179.974
   7    2    1    9      0.026
   7    2    1   10    180.000
  11    3    4    7    179.974
  11    3    4   12      0.026
   5    3    4    7      0.026
   5    3    4   12    179.974
   3    4    7    2      0.026
  12    4    7    2    179.974
  13    5    6    2    179.974
   3    5    6    2      0.026
   5    6    2    1    179.974
   5    6    2    7      0.026
   4    7    2    1    179.974
   4    7    2    6      0.026
   6    5    3    4      0.026
   6    5    3   11    179.974
  13    5    3    4    179.974
  13    5    3   11      0.026