SMILES:[N+](=O)(c1c(N2CCOCC2)nccc1)[O-]	

FORMULA: C9H11N3O3
MASS: 209.2019
EXACT MASS: 209.0800412
INTERATOMIC DISTANCES

              N   1      C   2      C   3      N   4      N   5      O   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.4406     0.0000 
   C   3    2.4952     1.4292     0.0000 
   N   4    2.8625     2.4591     1.4197     0.0000 
   N   5    3.8087     2.4782     1.4525     2.5125     0.0000 
   O   6    1.4406     2.4750     2.8580     2.4591     4.3102     0.0000 
   O   7    1.4333     2.4988     3.8068     4.2958     4.9766     2.4988 
   O   8    4.9542     5.1396     4.2776     2.8580     5.1882     3.7635 
   C   9    2.5125     1.4729     2.5140     3.8087     2.8625     3.8218 
   C  10    2.4952     2.8580     2.4750     1.4197     3.8140     1.4292 
   C  11    4.2917     3.7635     2.4591     1.4292     2.8905     3.7635 
   C  12    4.3309     2.8905     2.5125     3.8140     1.4197     5.1882 
   C  13    3.7841     4.2776     3.7771     2.4750     4.9875     2.4591 
   C  14    5.1428     4.9218     3.7558     2.4627     4.3123     4.2542 
   C  15    3.8218     2.5125     2.8905     4.3102     2.4591     4.9875 

              O   7      O   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   O   8    6.2371     0.0000 
   C   9    2.8926     6.5798     0.0000 
   C  10    3.8068     2.4591     4.3309     0.0000 
   C  11    5.7250     2.4750     4.9731     2.4591     0.0000 
   C  12    5.1983     6.5777     2.4952     4.9875     4.3102     0.0000 
   C  13    4.9578     1.4292     5.7506     1.4197     2.8580     6.2638 
   C  14    6.5431     1.4218     6.2434     2.8250     1.4218     5.7320 
   C  15    4.3330     7.1682     1.4406     5.1882     5.1667     1.4292 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    2.4627     0.0000 
   C  15    6.5777     6.5554     0.0000 



ATOMIC CHARGES
   N   1    0.0838551785
   C   2    0.3210645418
   C   3    0.2024662361
   N   4   -0.2832084342
   N   5   -0.2234654345
   O   6   -0.5759308510
   O   7    0.0415770679
   O   8   -0.3501329778
   C   9    0.0798895938
   C  10    0.1244264240
   C  11    0.1244264240
   C  12    0.1007266792
   C  13    0.1636085611
   C  14    0.1636085611
   C  15    0.0270884300


BOND ANGLES
  12    5    3  Car  Nar  Car    122.030
   5    3    2  Nar  Car  Car    118.622
   8   13   10   O3   C3   C3    119.347
  13   10    4   C3   C3  Npl    121.305
   3    5   12  Car  Nar  Car    122.030
   5   12   15  Nar  Car  Car    119.347
  10   13    8   C3   C3   O3    119.347
  13    8   14   C3   O3   C3    119.495


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


CHIRAL ATOMS
   N     4 is chiral: counterclockwise