SMILES:S(=O)(=O)(Cc1c(C#N)cccc1)Cl	

FORMULA: C8H6ClNO2S
MASS: 215.6567
EXACT MASS: 214.9807771
INTERATOMIC DISTANCES

              S   1      N   2      C   3      C   4      O   5      O   6
              ------------------------------------------------------------------
   S   1    0.0000 
   N   2    2.9750     0.0000 
   C   3    0.8233     2.1851     0.0000 
   C   4    2.4771     0.8233     1.6538     0.0000 
   O   5    0.8233     3.7792     1.6466     3.3004     0.0000 
   O   6    0.8305     2.8933     1.1723     2.6152     1.1665     0.0000 
   C   7    1.4280     2.1851     0.8250     1.4333     2.1802     1.9811 
   C   8    2.1856     1.6466     1.4321     0.8233     2.9763     2.5812 
  Cl   9    0.8233     3.2727     1.1643     2.6116     1.1643     1.6538 
   C  10    1.6500     2.9750     1.4280     2.1851     2.1821     2.4064 
   C  11    2.8601     2.1802     2.1848     1.4280     3.5975     3.3549 
   C  12    2.4750     3.3004     2.1821     2.4771     2.9741     3.2223 
   C  13    2.9741     2.9763     2.4750     2.1856     3.5945     3.6207 

              C   7      C   8     Cl   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.8305     0.0000 
  Cl   9    1.2415     2.0702     0.0000 
   C  10    0.8233     1.4333     1.0242     0.0000 
   C  11    1.4321     0.8250     2.5521     1.6538     0.0000 
   C  12    1.4280     1.6538     1.8101     0.8250     1.4333     0.0000 
   C  13    1.6500     1.4321     2.4487     1.4280     0.8305     0.8233 

              C  13
              -----------
   C  13    0.0000 



ATOMIC CHARGES
   S   1    0.0658576573
   N   2   -0.1908400117
   C   3    0.1960938944
   C   4    0.1001473039
   O   5   -0.1570700997
   O   6   -0.1570700997
   C   7    0.0124240223
   C   8    0.0661708714
  Cl   9    0.0556917870
   C  10   -0.0018548482
   C  11    0.0100101295
   C  12   -0.0002302260
   C  13    0.0006696194


BOND ANGLES
  11   13   12  Car  Car  Car    120.150
  13   12   10  Car  Car  Car    120.069
  12   13   11  Car  Car  Car    120.150
  13   11    8  Car  Car  Car    119.782


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