SMILES:c12c(nsn1)ccc(c2)N	

FORMULA: C6H5N3S
MASS: 151.1890
EXACT MASS: 151.0204182
INTERATOMIC DISTANCES

              C   1      S   2      C   3      N   4      C   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   S   2    2.3277     0.0000 
   C   3    1.4244     2.3228     0.0000 
   N   4    1.4448     1.4323     2.3183     0.0000 
   C   5    1.4193     3.7273     2.4649     2.6169     0.0000 
   N   6    2.3229     1.4258     1.4455     2.3144     3.6681     0.0000 
   C   7    2.4761     3.7306     1.4295     3.6754     2.8603     2.6221 
   C   8    2.4705     4.7399     2.8544     3.8709     1.4309     4.2790 
   C   9    2.8491     4.7358     2.4705     4.2726     2.4684     3.8714 
   N  10    3.7794     6.0968     4.2897     5.0917     2.4806     5.7111 

              C   7      C   8      C   9      N  10
              --------------------------------------------
   C   7    0.0000 
   C   8    2.4825     0.0000 
   C   9    1.4353     1.4244     0.0000 
   N  10    3.7970     1.4353     2.4825     0.0000 



ATOMIC CHARGES
   C   1    0.1101881241
   S   2    0.1165102636
   C   3    0.1089306719
   N   4   -0.1900814844
   C   5    0.0394035209
   N   6   -0.1901245341
   C   7    0.0227433819
   C   8    0.0907121359
   C   9    0.0197229381
   N  10   -0.1280050179


BOND ANGLES
   2    6    3   S2  Nar  Car    107.989
   6    3    1  Nar  Car  Car    108.073
   9    7    3  Car  Car  Car    119.164
   7    3    1  Car  Car  Car    120.361
   3    6    2  Car  Nar   S2    107.989
   6    2    4  Nar   S2  Nar    108.144
   3    7    9  Car  Car  Car    119.164
   7    9    8  Car  Car  Car    120.475


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