SMILES:c1ccc2c(c1OC)C(C(CC2)N)O	

FORMULA: C11H15NO2
MASS: 193.2423
EXACT MASS: 193.1102787
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    1.5945     1.4062     0.9205     0.5314     0.9206     1.4062 
   C   8    1.9163     1.8411     1.4062     0.9205     1.0629     1.5944 
   C   9    1.8411     1.9163     1.5945     1.0629     0.9205     1.4061 
   C  10    1.4061     1.5944     1.4062     0.9205     0.5314     0.9205 
   O  11    1.5944     1.9163     1.8411     1.4061     0.9205     1.0629 
   N  12    2.3167     2.4356     2.1259     1.5944     1.4061     1.8411 
   O  13    0.9189     1.4043     1.5925     1.4042     0.9187     0.5295 
   C  14    1.0621     1.4048     1.4045     1.0611     0.5296     0.5306 

              C   7      C   8      C   9      C  10      O  11      N  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.5315     0.0000 
   C   9    0.9206     0.5315     0.0000 
   C  10    1.0630     0.9205     0.5315     0.0000 
   O  11    1.5945     1.4062     0.9205     0.5315     0.0000 
   N  12    1.4062     0.9205     0.5315     0.9206     1.0630     0.0000 
   O  13    1.8393     1.9147     1.5932     1.0618     0.9203     1.9155 
   C  14    1.4044     1.4047     1.0620     0.5305     0.5323     1.4058 

              O  13      C  14
              ----------------------
   O  13    0.0000 
   C  14    0.5313     0.0000 



ATOMIC CHARGES
   C   1    0.0366328736
   C   2    0.0027714090
   C   3   -0.0043014637
   C   4   -0.0207786545
   C   5    0.0391727017
   C   6    0.1367971048
   C   7    0.0277946954
   C   8    0.0266489195
   C   9    0.1267376941
   C  10    0.1942356131
   O  11   -0.2166357615
   N  12   -0.1298517782
   O  13   -0.4716759185
   C  14    0.2524525653


BOND ANGLES
   7    4    5   C3  Car  Car    120.010
   4    5    6  Car  Car  Car    119.995
  13    6    1   O3  Car  Car    120.017
   6    1    2  Car  Car  Car    119.995
   5    4    7  Car  Car   C3    120.010
   4    7    8  Car   C3   C3    119.986
  12    9   10   N3   C3   C3    120.010
   9   10    5   C3   C3  Car    120.005
   9   10   11   C3   C3   O3    119.995
  11   10    5   O3   C3  Car    120.000
  10    5    6   C3  Car  Car    120.005
   5   10   11  Car   C3   O3    120.000
  10    9   12   C3   C3   N3    120.010
   1    6   13  Car  Car   O3    120.017
   6   13   14  Car   O3   C3     60.025


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


CHIRAL ATOMS
   C     9 is chiral: counterclockwise
   C    10 is chiral: counterclockwise