SMILES:c1c(cc2c(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    0.5315     0.0000 
   C   3    0.9206     0.5315     0.0000 
   C   4    1.0630     0.9206     0.5315     0.0000 
   C   5    0.9206     1.0630     0.9206     0.5315     0.0000 
   C   6    0.5315     0.9205     1.0630     0.9205     0.5315     0.0000 
   C   7    1.5868     1.4355     0.9711     0.5315     0.8600     1.3628 
   C   8    1.7587     1.7587     1.3843     0.8600     0.8600     1.3843 
   C   9    1.4355     1.5867     1.3628     0.8600     0.5315     0.9711 
   O  10    1.7256     1.9930     1.8518     1.3753     0.9471     1.2000 
   N  11    2.2855     2.2855     1.8861     1.3753     1.3753     1.8861 
   O  12    0.9184     0.5279     0.9165     1.4022     1.5909     1.4034 
   C  13    1.0628     0.5313     0.5280     1.0595     1.4035     1.4047 

              C   7      C   8      C   9      O  10      N  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.5315     0.0000 
   C   9    0.8600     0.5315     0.0000 
   O  10    1.3753     0.9472     0.5315     0.0000 
   N  11    0.9471     0.5315     0.9471     1.1564     0.0000 
   O  12    1.8850     2.2581     2.1136     2.5179     2.7775     0.0000 
   C  13    1.4688     1.9089     1.8783     2.3491     2.4022     0.5313 

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



ATOMIC CHARGES
   C   1    0.0366357399
   C   2    0.1384022526
   C   3    0.0324511249
   C   4   -0.0191813846
   C   5    0.0054359044
   C   6    0.0010081914
   C   7    0.0481694753
   C   8    0.1306137719
   C   9    0.1916735797
   O  10   -0.2167320442
   N  11   -0.1295054820
   O  12   -0.4714375067
   C  13    0.2524663772


BOND ANGLES
  12    2    3   O3  Car  Car    119.788
   2    3    4  Car  Car  Car    119.991
   7    4    5   C3  Car  Car    108.005
   4    5    6  Car  Car  Car    119.995
   5    4    7  Car  Car   C3    108.005
   4    7    8  Car   C3   C3    107.993
  11    8    9   N3   C3   C3    125.999
   8    9    5   C3   C3  Car    108.004
   8    9   10   C3   C3   O3    126.006
  10    9    5   O3   C3  Car    125.990
   9    5    6   C3  Car  Car    132.010
   5    9   10  Car   C3   O3    125.990
   9    8   11   C3   C3   N3    125.999
   3    2   12  Car  Car   O3    119.788
   2   12   13  Car   O3   C3     60.214


TORSION ANGLES
  12    2    3    4    179.974
   1    2    3    4      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
   3    2   12   13      0.026
   1    2   12   13    179.974
   6    1    2    3      0.026
   6    1    2   12    179.974


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