SMILES:S(=O)(=O)(c1sc(cc1)c1nc(ncc1)SC)Cl	

FORMULA: C9H7ClN2O2S3
MASS: 306.8121
EXACT MASS: 305.9358182
INTERATOMIC DISTANCES

              S   1      C   2      S   3      C   4      N   5      C   6
              ------------------------------------------------------------------
   S   1    0.0000 
   C   2    1.3846     0.0000 
   S   3    2.2557     1.2093     0.0000 
   C   4    3.3822     2.1083     1.2166     0.0000 
   N   5    4.7262     3.9087     2.7008     2.3991     0.0000 
   C   6    2.2459     1.2125     2.0947     2.4321     4.6669     0.0000 
   C   7    6.0791     5.2874     4.0788     3.6594     1.3793     6.0104 
   C   8    3.8166     2.4321     2.0988     1.2125     3.5011     2.1083 
   C   9    4.5167     3.3822     2.2640     1.3846     1.3917     3.8166 
   O  10    1.6740     2.1701     2.0963     3.2765     3.6880     3.3709 
   O  11    1.6911     3.0724     3.7900     4.9812     5.9195     3.8615 
   N  12    7.0553     6.0777     4.8902     4.1588     2.4000     6.5909 
  Cl  13    1.3934     2.4043     3.5103     4.5126     6.0902     2.6815 
   S  14    6.6757     6.1240     4.9533     4.7950     2.3959     7.0041 
   C  15    5.7547     4.5083     3.5121     2.4000     2.4057     4.6653 
   C  16    6.9167     5.7532     4.6632     3.6684     2.7743     6.0189 
   C  17    6.1300     5.8604     4.8032     4.9892     2.7709     6.8968 

              C   7      C   8      C   9      O  10      O  11      N  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    4.6433     0.0000 
   C   9    2.3985     2.2459     0.0000 
   O  10    4.9231     4.1700     3.9639     0.0000 
   O  11    7.1866     5.5031     5.9828     2.2697     0.0000 
   N  12    1.3866     4.8783     2.7743     6.0878     8.3151     0.0000 
  Cl  13    7.4534     4.6661     5.7604     2.9655     1.6855     8.3840 
   S  14    1.3959     5.8776     3.6709     5.2734     7.5183     2.4126 
   C  15    2.7750     2.6833     1.3835     5.3356     7.2920     2.4099 
   C  16    2.4027     4.0724     2.4000     6.2588     8.3603     1.3917 
   C  17    2.4105     6.1736     4.1625     4.5618     6.6989     3.6767 

             Cl  13      S  14      C  15      C  16      C  17
              -------------------------------------------------------
  Cl  13    0.0000 
   S  14    8.0691     0.0000 
   C  15    6.9125     4.1708     0.0000 
   C  16    8.1475     3.6818     1.3908     0.0000 
   C  17    7.4976     1.3830     5.0073     4.8132     0.0000 



ATOMIC CHARGES
   S   1    0.0865169742
   C   2    0.1517471019
   S   3   -0.0658741021
   C   4    0.0484876106
   N   5   -0.2206690918
   C   6    0.0270019252
   C   7    0.1900561280
   C   8    0.0099159971
   C   9    0.0909840585
   O  10   -0.1524228132
   O  11   -0.1524228132
   N  12   -0.2196449924
  Cl  13    0.0608549946
   S  14   -0.0747684726
   C  15    0.0403698894
   C  16    0.1026382894
   C  17    0.0772293164


BOND ANGLES
   8    4    3  Car  Car   S2    119.551
   4    3    2  Car   S2  Car    120.704
  12    7    5  Nar  Car  Nar    120.381
   7    5    9  Car  Nar  Car    119.896
   3    4    8   S2  Car  Car    119.551
   4    8    6  Car  Car  Car     90.000
   5    7   12  Nar  Car  Nar    120.381
   7   12   16  Car  Nar  Car    119.723


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