SMILES:c1(noc(c1)c1ccc(cc1)Cl)C(=O)O	

FORMULA: C10H6ClNO3
MASS: 223.6125
EXACT MASS: 223.0036207
INTERATOMIC DISTANCES

              C   1      N   2      C   3      C   4      O   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.3671     0.0000 
   C   3    1.3091     2.1521     0.0000 
   C   4    2.1615     2.1785     1.3170     0.0000 
   O   5    2.1784     1.3308     2.1550     1.3671     0.0000 
   C   6    1.3258     2.4170     2.3404     3.4375     3.4691     0.0000 
   C   7    3.4280     3.4609     2.3403     1.3168     2.4105     4.6439 
   O   8    2.3169     3.6169     2.7711     4.0655     4.4668     1.3365 
   C   9    4.4248     4.0962     3.5191     2.2795     2.8149     5.7160 
   C  10    4.0229     4.4326     2.7360     2.2865     3.5921     5.0349 
   O  11    2.3309     2.8776     3.5550     4.4790     4.1578     1.3328 
   C  12    6.0467     6.0914     4.8539     3.9716     4.9301     7.1943 
   C  13    5.6638     5.4282     4.6345     3.5027     4.1556     6.9190 
   C  14    5.3470     5.6767     4.0647     3.4999     4.7078     6.3595 
  Cl  15    7.3599     7.4032     6.1512     5.2909     6.2202     8.4897 

              C   7      O   8      C   9      C  10      O  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    5.0714     0.0000 
   C   9    1.3137     6.2884     0.0000 
   C  10    1.3298     5.1158     2.2934     0.0000 
   O  11    5.7585     2.2702     6.7111     6.2876     0.0000 
   C  12    2.6548     7.4012     2.2974     2.3091     8.3730     0.0000 
   C  13    2.2950     7.3584     1.3411     2.6491     7.9786     1.3035 
   C  14    2.2998     6.3785     2.6535     1.3290     7.6165     1.3403 
  Cl  15    3.9741     8.6366     3.4980     3.5209     9.6831     1.3194 

              C  13      C  14     Cl  15
              ---------------------------------
   C  13    0.0000 
   C  14    2.2879     0.0000 
  Cl  15    2.2626     2.3141     0.0000 



ATOMIC CHARGES
   C   1    0.2023125108
   N   2   -0.0701791286
   C   3    0.0693455917
   C   4    0.1771065096
   O   5   -0.3531908140
   C   6    0.4083869167
   C   7    0.0372843450
   O   8   -0.2387279370
   C   9    0.0039852031
   C  10    0.0039852031
   O  11   -0.2387279370
   C  12    0.0576741336
   C  13    0.0114949246
   C  14    0.0114949246
  Cl  15   -0.0822444460


BOND ANGLES
   3    1    2  Car  Car  Nar    107.038
   1    2    5  Car  Nar   O2    107.685
   6    1    2  Cac  Car  Nar    127.668
   1    2    5  Car  Nar   O2    107.685
   2    1    3  Nar  Car  Car    107.038
   1    3    4  Car  Car  Car    110.789
   6    1    3  Cac  Car  Car    125.293
   1    3    4  Car  Car  Car    110.789
   2    1    6  Nar  Car  Cac    127.668
   1    6    8  Car  Cac O.co2    120.974
   1    6   11  Car  Cac O.co2    122.497
   3    1    6  Car  Car  Cac    125.293
   1    6    8  Car  Cac O.co2    120.974
   1    6   11  Car  Cac O.co2    122.497
   5    4    7   O2  Car  Car    127.815
   4    7    9  Car  Car  Car    120.124
   4    7   10  Car  Car  Car    119.522
   7    4    5  Car  Car   O2    127.815
  11    6    8 O.co2  Cac O.co2    116.529
   8    6   11 O.co2  Cac O.co2    116.529
  10    7    9  Car  Car  Car    120.354
   7    9   13  Car  Car  Car    119.648
   9    7   10  Car  Car  Car    120.354
   7   10   14  Car  Car  Car    119.762
  15   12   14   Cl  Car  Car    120.932
  13   12   14  Car  Car  Car    119.844
  14   12   15  Car  Car   Cl    120.932
  13   12   15  Car  Car   Cl    119.224
  14   12   13  Car  Car  Car    119.844
  15   12   13   Cl  Car  Car    119.224


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