SMILES:[N+](=O)(c1cc(c(C(=O)O)cc1)N)[O-]	

FORMULA: C7H6N2O4
MASS: 182.1335
EXACT MASS: 182.0327567
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    4.2945     0.0000 
   C   3    3.7810     1.4181     0.0000 
   C   4    1.4436     2.8509     2.4560     0.0000 
   C   5    5.7342     1.4397     2.4780     4.2906     0.0000 
   C   6    2.4821     2.4627     1.4191     1.4122     3.7790     0.0000 
   C   7    3.7869     1.4353     2.4666     2.4730     2.4913     2.8472 
   O   8    1.4275     5.1719     4.3073     2.4920     6.5788     2.8881 
   O   9    1.4468     5.1736     4.9641     2.5081     6.5804     3.8018 
   C  10    2.4859     2.4746     2.8464     1.4367     3.7905     2.4668 
   O  11    6.5788     2.4963     3.7927     5.1701     1.4404     4.9591 
   N  12    4.9585     2.4791     1.4458     3.7729     2.8641     2.4766 
   O  13    6.5735     2.4895     2.8791     5.1609     1.4272     4.2983 

              C   7      O   8      O   9      C  10      O  11      N  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    4.9648     0.0000 
   O   9    4.3024     2.4788     0.0000 
   C  10    1.4232     3.7956     2.8791     0.0000 
   O  11    2.8838     7.6021     7.1861     4.3070     0.0000 
   N  12    3.7907     5.1777     6.2544     4.2922     4.3045     0.0000 
   O  13    3.7985     7.1864     7.6001     4.9641     2.4746     2.4951 

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



ATOMIC CHARGES
   N   1    0.0809607595
   C   2    0.0968646056
   C   3    0.1015450051
   C   4    0.2914172259
   C   5    0.3890662361
   C   6    0.0934915143
   C   7    0.0142486010
   O   8   -0.5760068914
   O   9    0.0414816205
   C  10    0.0755702605
   O  11   -0.2405038406
   N  12   -0.1276312561
   O  13   -0.2405038406


BOND ANGLES
   3    2    7  Car  Car  Car    119.634
   2    7   10  Car  Car  Car    119.920
   7    2    3  Car  Car  Car    119.634
   2    3    6  Car  Car  Car    120.456


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