SMILES:c1cc(c2c(c1)C(C(C2)N)O)OC	

FORMULA: C10H13NO2
MASS: 179.2157
EXACT MASS: 179.0946287
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6000     0.0000 
   C   3    1.0392     0.6000     0.0000 
   C   4    1.2000     1.0392     0.6000     0.0000 
   C   5    1.0392     1.2000     1.0392     0.6000     0.0000 
   C   6    0.6000     1.0392     1.2000     1.0392     0.6000     0.0000 
   C   7    1.7912     1.6205     1.0962     0.6000     0.9709     1.5385 
   C   8    1.9853     1.9853     1.5627     0.9708     0.9708     1.5627 
   C   9    1.6204     1.7912     1.5384     0.9708     0.6000     1.0962 
   O  10    1.9479     2.2498     2.0903     1.5525     1.0691     1.3547 
   N  11    2.5800     2.5800     2.1292     1.5526     1.5526     2.1292 
   O  12    1.5870     1.0387     0.5997     1.0393     1.5874     1.7997 
   C  13    1.6684     1.1592     1.3870     1.9857     2.3201     2.1916 

              C   7      C   8      C   9      O  10      N  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.6001     0.0000 
   C   9    0.9709     0.6000     0.0000 
   O  10    1.5526     1.0692     0.6000     0.0000 
   N  11    1.0693     0.6000     1.0692     1.3053     0.0000 
   O  12    1.3038     1.8770     2.0073     2.5917     2.3696     0.0000 
   C  13    2.4473     2.9486     2.8843     3.3867     3.5052     1.2500 

              C  13
              -----------
   C  13    0.0000 



ATOMIC CHARGES
   C   1    0.0028475885
   C   2    0.0365540820
   C   3    0.1345108372
   C   4    0.0117742628
   C   5    0.0081316880
   C   6   -0.0019057538
   C   7    0.0511399968
   C   8    0.1307172567
   C   9    0.1917685077
   O  10   -0.2167306843
   N  11   -0.1295040576
   O  12   -0.4717547861
   C  13    0.2524510622


BOND ANGLES
  12    3    4   O3  Car  Car    120.058
   3    4    5  Car  Car  Car    120.001
   3    4    7  Car  Car   C3    131.990
   7    4    5   C3  Car  Car    108.009
   4    5    6  Car  Car  Car    120.001
   5    4    7  Car  Car   C3    108.009
   4    7    8  Car   C3   C3    107.988
  11    8    9   N3   C3   C3    126.003
   8    9    5   C3   C3  Car    108.003
   8    9   10   C3   C3   O3    125.997
  10    9    5   O3   C3  Car    126.000
   9    5    6   C3  Car  Car    131.999
   5    9   10  Car   C3   O3    126.000
   9    8   11   C3   C3   N3    126.003
   4    3   12  Car  Car   O3    120.058
   3   12   13  Car   O3   C3     90.057


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


CHIRAL ATOMS
   C     8 is chiral: counterclockwise
   C     9 is chiral: counterclockwise