SMILES:C(=Nc1c(SC)cccc1)=S	

FORMULA: C8H7NS2
MASS: 181.2779
EXACT MASS: 181.0019912
INTERATOMIC DISTANCES

              C   1      N   2      S   3      C   4      C   5      S   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.4353     0.0000 
   S   3    1.4318     2.8671     0.0000 
   C   4    2.3326     1.4261     3.6007     0.0000 
   C   5    3.6752     2.4623     5.0062     1.4282     0.0000 
   S   6    4.2691     2.8483     5.6943     2.4867     1.4413     0.0000 
   C   7    2.6178     2.4729     3.4250     1.4274     2.4808     3.7964 
   C   8    4.8064     3.7771     6.0053     2.4785     1.4378     2.4953 
   C   9    5.7046     4.2855     7.1274     3.7999     2.4955     1.4373 
   C  10    4.0577     3.7891     4.7675     2.4841     2.8757     4.3170 
   C  11    4.9367     4.2663     5.8899     2.8402     2.4639     3.7833 

              C   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    2.8681     0.0000 
   C   9    4.9763     2.8866     0.0000 
   C  10    1.4408     2.4897     5.1924     0.0000 
   C  11    2.4711     1.4165     4.3031     1.4337     0.0000 



ATOMIC CHARGES
   C   1    0.0414941870
   N   2   -0.1956039328
   S   3    0.0206660192
   C   4    0.0965779283
   C   5    0.0436111426
   S   6   -0.1112081702
   C   7    0.0203720170
   C   8    0.0076826113
   C   9    0.0742057484
   C  10    0.0016016754
   C  11    0.0006007739


BOND ANGLES
   8   11   10  Car  Car  Car    121.731
  11   10    7  Car  Car  Car    118.557
  10   11    8  Car  Car  Car    121.731
  11    8    5  Car  Car  Car    119.358


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