SMILES:[N+](=O)(c1cc(C(=O)N=C=S)ccc1)[O-]	

FORMULA: C8H4N2O3S
MASS: 208.1940
EXACT MASS: 207.9942630
INTERATOMIC DISTANCES

              N   1      C   2      C   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    4.3546     0.0000 
   C   3    6.3793     2.0273     0.0000 
   N   4    5.4413     1.2378     1.2527     0.0000 
   C   5    1.2513     3.3251     5.3423     4.3137     0.0000 
   C   6    3.2931     1.2692     3.2233     2.1643     2.1500     0.0000 
   C   7    2.1542     2.2006     4.2252     3.3177     1.2435     1.2498 
   O   8    1.2500     4.5545     6.5016     5.7527     2.1747     3.7517 
   O   9    1.2414     5.4583     7.4832     6.4677     2.1542     4.3043 
   S  10    7.4100     3.1324     1.2476     2.5003     6.4488     4.3828 
   O  11    4.5706     1.2514     2.2804     2.1597     3.8002     2.1855 
   C  12    2.1526     3.7391     5.6303     4.4579     1.2292     2.4704 
   C  13    3.7216     2.1156     3.6722     2.4338     2.4704     1.2042 
   C  14    3.2875     3.2742     4.9199     3.6802     2.1397     2.1289 

              C   7      O   8      O   9      S  10      O  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    2.5019     0.0000 
   O   9    3.2868     2.1535     0.0000 
   S  10    5.2748     7.3887     8.5604     0.0000 
   O  11    2.5573     4.4212     5.7791     2.9801     0.0000 
   C  12    2.1433     3.2970     2.4864     6.8280     4.5210     0.0000 
   C  13    2.1325     4.4823     4.4763     4.9134     3.2638     2.1500 
   C  14    2.4750     4.3144     3.7278     6.1604     4.3134     1.2414 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    1.2477     0.0000 



ATOMIC CHARGES
   N   1    0.0809159759
   C   2    0.2768874707
   C   3    0.0317787350
   N   4   -0.1246068724
   C   5    0.2902050156
   C   6    0.0621072135
   C   7    0.0798588766
   O   8   -0.5760073353
   O   9    0.0414810619
   S  10    0.0180019935
   O  11   -0.2673509850
   C  12    0.0752724763
   C  13    0.0050033583
   C  14    0.0064530154


BOND ANGLES
   6   13   14  Car  Car  Car    120.503
  13   14   12  Car  Car  Car    119.491
  14   13    6  Car  Car  Car    120.503
  13    6    7  Car  Car  Car    120.669


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