SMILES:c1(S(=O)(=O)N)sc(nc1)N	

FORMULA: C3H5N3O2S2
MASS: 179.2207
EXACT MASS: 178.9823184
INTERATOMIC DISTANCES

              C   1      S   2      S   3      C   4      N   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   S   2    0.7463     0.0000 
   S   3    0.7411     1.3269     0.0000 
   C   4    1.1982     1.9226     0.7405     0.0000 
   N   5    1.1980     1.9211     1.1972     0.7387     0.0000 
   C   6    0.7412     1.3236     1.1993     1.1985     0.7413     0.0000 
   O   7    1.2906     0.7426     1.9910     2.4750     2.2737     1.5529 
   O   8    1.2851     0.7413     1.5506     2.2702     2.4696     1.9847 
   N   9    1.4824     0.7408     2.0450     2.6631     2.6286     1.9712 
   N  10    1.9169     2.6145     1.3211     0.7404     1.3158     1.9154 

              O   7      O   8      N   9      N  10
              --------------------------------------------
   O   7    0.0000 
   O   8    1.2870     0.0000 
   N   9    0.6358     0.8452     0.0000 
   N  10    3.2041     2.8602     3.3488     0.0000 



ATOMIC CHARGES
   C   1    0.1761601935
   S   2    0.1007713881
   S   3   -0.0284598480
   C   4    0.2018542836
   N   5   -0.2184452044
   C   6    0.1275943109
   O   7   -0.1497556036
   O   8   -0.1497556036
   N   9    0.0397599280
   N  10   -0.0997238443


BOND ANGLES
   5    4    3  Nar  Car   S2    108.071
   4    3    1  Car   S2  Car    107.946
   3    4    5   S2  Car  Nar    108.071
   4    5    6  Car  Nar  Car    108.156


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