SMILES:c1(C(=O)O)cc(c(nc1)N)[N+](=O)[O-]	

FORMULA: C6H5N3O4
MASS: 183.1216
EXACT MASS: 183.0280057
INTERATOMIC DISTANCES

              C   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.4316     0.0000 
   C   3    0.8212     2.1802     0.0000 
   C   4    1.6487     0.8233     2.4699     0.0000 
   C   5    0.8233     1.6542     1.4250     1.4316     0.0000 
   C   6    1.4250     1.4316     2.1761     0.8292     0.8233     0.0000 
   C   7    0.8292     0.8233     1.4280     1.4250     1.4316     1.6487 
   O   8    1.4243     2.8559     0.8250     2.9703     1.6445     2.4678 
   N   9    2.4720     1.4250     3.2932     0.8233     2.1833     1.4316 
   O  10    1.4263     2.4705     0.8250     2.9679     2.1792     2.8513 
   N  11    2.1785     2.1896     2.8500     1.4388     1.4250     0.8275 
   O  12    2.8582     2.4862     3.5924     1.6629     2.1824     1.4333 
   O  13    2.4682     2.8649     2.9633     2.1936     1.6450     1.4333 

              C   7      O   8      N   9      O  10      N  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    2.1821     0.0000 
   N   9    2.1769     3.7747     0.0000 
   O  10    1.6472     1.4296     3.7722     0.0000 
   N  11    2.4762     2.9636     1.6625     3.5892     0.0000 
   O  12    2.9800     3.7731     1.4480     4.2845     0.8275     0.0000 
   O  13    2.9749     2.8418     2.4900     3.7701     0.8275     1.4333 

              O  13
              -----------
   O  13    0.0000 



ATOMIC CHARGES
   C   1    0.1050788891
   N   2   -0.2206146623
   C   3    0.3894654174
   C   4    0.2395889420
   C   5    0.0865570316
   C   6    0.3244830012
   C   7    0.1073712575
   O   8   -0.2404933600
   N   9   -0.1005668170
   O  10   -0.2404933600
   N  11    0.0839748387
   O  12   -0.5759296976
   O  13    0.0415785192


BOND ANGLES
   4    6    5  Car  Car  Car    120.069
   6    5    1  Car  Car  Car    119.863
  12   11    6   O-  Ntr  Car    120.004
  11    6    5  Ntr  Car  Car    119.365
  11    6    4  Ntr  Car  Car    120.566
  13   11    6   O2  Ntr  Car    119.998
  11    6    5  Ntr  Car  Car    119.365
  11    6    4  Ntr  Car  Car    120.566
   5    6    4  Car  Car  Car    120.069
   6    4    2  Car  Car  Nar    120.069
   1    3   10  Car  Cac O.co2    120.096
  10    3    1 O.co2  Cac  Car    120.096
   6   11   12  Car  Ntr   O-    120.004
  13   11   12   O2  Ntr   O-    119.998
   6   11   13  Car  Ntr   O2    119.998
  12   11   13   O-  Ntr   O2    119.998


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