SMILES:O=C(NCCO[N+](=O)[O-])c1cnccc1	

FORMULA: C8H9N3O4
MASS: 211.1748
EXACT MASS: 211.0593058
INTERATOMIC DISTANCES

              O   1      C   2      N   3      C   4      C   5      O   6
              ------------------------------------------------------------------
   O   1    0.0000 
   C   2    0.8250     0.0000 
   N   3    1.4289     0.8249     0.0000 
   C   4    1.6500     1.4289     0.8250     0.0000 
   C   5    2.4750     2.1827     1.4290     0.8250     0.0000 
   O   6    2.9746     2.8579     2.1828     1.4290     0.8250     0.0000 
   N   7    3.7806     3.5960     2.8579     2.1827     1.4289     0.8249 
   O   8    4.3655     4.2868     3.5961     2.8579     2.1827     1.4289 
   O   9    4.1250     3.7806     2.9746     2.4750     1.6500     1.4289 
   C  10    1.4290     0.8250     1.4289     2.1827     2.8579     3.5961 
   C  11    1.6501     1.4290     2.1827     2.8579     3.5961     4.2869 
   N  12    2.4750     2.1827     2.8578     3.5960     4.2868     5.0183 
   C  13    2.9746     2.4750     2.9745     3.7806     4.3655     5.1521 
   C  14    2.8579     2.1828     2.4750     3.3000     3.7807     4.5935 
   C  15    2.1828     1.4290     1.6500     2.4750     2.9746     3.7807 

              N   7      O   8      O   9      C  10      C  11      N  12
              ------------------------------------------------------------------
   N   7    0.0000 
   O   8    0.8250     0.0000 
   O   9    0.8250     1.4290     0.0000 
   C  10    4.2868     5.0183     4.3655     0.0000 
   C  11    5.0183     5.7158     5.1521     0.8250     0.0000 
   N  12    5.7157     6.4434     5.7749     1.4289     0.8249     0.0000 
   C  13    5.7749     6.5482     5.7157     1.6500     1.4289     0.8250 
   C  14    5.1521     5.9492     5.0183     1.4290     1.6500     1.4289 
   C  15    4.3655     5.1521     4.2868     0.8250     1.4290     1.6500 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    0.8249     0.0000 
   C  15    1.4289     0.8250     0.0000 



ATOMIC CHARGES
   O   1   -0.2683134703
   C   2    0.2664129425
   N   3   -0.1973499345
   C   4    0.1708033786
   C   5    0.3189709575
   O   6   -0.1981307140
   N   7    0.2851722866
   O   8    0.0934058895
   O   9   -0.5338259266
   C  10    0.0741707231
   C  11    0.1034109322
   N  12   -0.2421674051
   C  13    0.0988878399
   C  14    0.0208279889
   C  15    0.0077245117


BOND ANGLES
  10    2    3  Car   C2  Nam    119.999
   2    3    4   C2  Nam   C3    119.999
   9    7    8   O-  Ntr   O2    119.999
   8    7    9   O2  Ntr   O-    119.999
   3    2   10  Nam   C2  Car    119.999
   2   10   11   C2  Car  Car    120.002
   2   10   15   C2  Car  Car    119.999
  15   10   11  Car  Car  Car    119.999
  10   11   12  Car  Car  Nar    119.999
  11   10   15  Car  Car  Car    119.999


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