SMILES:c1(c2c([nH]c1)ccc(c2)OC)C(=O)C	

FORMULA: C11H11NO2
MASS: 189.2105
EXACT MASS: 189.0789786
INTERATOMIC DISTANCES

              C   1      C   2      C   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8275     0.0000 
   C   3    0.8258     1.3401     0.0000 
   N   4    1.3416     1.3427     0.8326     0.0000 
   C   5    1.3427     0.8334     1.3427     0.8275     0.0000 
   C   6    0.8285     1.5429     1.3898     2.1025     2.1680     0.0000 
   C   7    1.5125     0.8269     2.1558     2.1243     1.4373     1.9935 
   O   8    1.4335     1.8570     2.1587     2.7750     2.6373     0.8275 
   C   9    2.1243     1.4373     2.1590     1.5125     0.8269     2.9309 
   C  10    2.2322     1.4292     2.7342     2.4654     1.6502     2.8032 
   C  11    2.4691     1.6544     2.7368     2.2312     1.4292     3.1876 
   C  12    1.4285     2.2437     1.5752     2.4031     2.7118     0.8250 
   O  13    2.9369     2.1828     3.5160     3.2891     2.4752     3.3905 
   C  14    3.6555     2.8581     4.1521     3.8000     2.9729     4.1731 

              C   7      O   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    1.9623     0.0000 
   C   9    1.6584     3.2909     0.0000 
   C  10    0.8275     2.7811     1.4280     0.0000 
   C  11    1.4352     3.3486     0.8233     0.8250     0.0000 
   C  12    2.7947     1.4352     3.5251     3.5874     3.8952     0.0000 
   O  13    1.4290     3.1916     2.1801     0.8250     1.4269     4.2059 
   C  14    2.1837     4.0124     2.4698     1.4289     1.6465     4.9784 

              O  13      C  14
              ----------------------
   O  13    0.0000 
   C  14    0.8250     0.0000 



ATOMIC CHARGES
   C   1    0.0553560995
   C   2    0.0249231200
   C   3    0.1016750070
   N   4   -0.2437395866
   C   5    0.0816431763
   C   6    0.1750379535
   C   7    0.0385344491
   O   8   -0.2912734366
   C   9    0.0222106767
   C  10    0.1388331674
   C  11    0.0384443574
   C  12    0.0773140950
   O  13   -0.4714256572
   C  14    0.2524665784


BOND ANGLES
   5    4    3  Car  Nar  Car    107.954
   4    3    1  Nar  Car  Car    107.983
  13   10    7   O3  Car  Car    119.709
  10    7    2  Car  Car  Car    119.505
   9   11   10  Car  Car  Car    120.069
  11   10    7  Car  Car  Car    120.572
  11   10   13  Car  Car   O3    119.719
   3    4    5  Car  Nar  Car    107.954
   4    5    2  Nar  Car  Car    107.883
  10   11    9  Car  Car  Car    120.069
  11    9    5  Car  Car  Car    120.009
   7   10   13  Car  Car   O3    119.709
  10   13   14  Car   O3   C3    119.999


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