SMILES:c1(c(ccc(c1)OC)N)O	

FORMULA: C7H9NO2
MASS: 139.1519
EXACT MASS: 139.0633285
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8463     0.0000 
   C   3    1.4657     0.8462     0.0000 
   C   4    1.6925     1.4657     0.8463     0.0000 
   C   5    1.4657     1.6925     1.4658     0.8463     0.0000 
   C   6    0.8462     1.4657     1.6925     1.4658     0.8463     0.0000 
   O   7    2.2389     2.5387     2.2390     1.4658     0.8463     1.4658 
   C   8    2.9314     3.0511     2.5387     1.6925     1.4657     2.2389 
   N   9    1.4658     0.8463     1.4657     2.2389     2.5387     2.2389 
   O  10    0.8463     1.4658     2.2389     2.5387     2.2389     1.4657 

              O   7      C   8      N   9      O  10
              --------------------------------------------
   O   7    0.0000 
   C   8    0.8462     0.0000 
   N   9    3.3850     3.8779     0.0000 
   O  10    2.9315     3.6886     1.6925     0.0000 



ATOMIC CHARGES
   C   1    0.2152867080
   C   2    0.1280454983
   C   3    0.0244317664
   C   4    0.0384955465
   C   5    0.1420199949
   C   6    0.0802931328
   O   7   -0.4713198579
   C   8    0.2524685602
   N   9   -0.1247038453
   O  10   -0.2850175040


BOND ANGLES
   6    1    2  Car  Car  Car    120.001
   1    2    3  Car  Car  Car    120.001
   1    2    9  Car  Car  Npl    119.998
  10    1    2   O3  Car  Car    119.998
   1    2    3  Car  Car  Car    120.001
   1    2    9  Car  Car  Npl    119.998
   9    2    3  Npl  Car  Car    120.001
   2    3    4  Car  Car  Car    120.001
   7    5    6   O3  Car  Car    120.005
   2    1    6  Car  Car  Car    120.001
  10    1    6   O3  Car  Car    120.001
   6    5    7  Car  Car   O3    120.005
   5    7    8  Car   O3   C3    120.001
   3    2    9  Car  Car  Npl    120.001
   2    1   10  Car  Car   O3    119.998
   6    1   10  Car  Car   O3    120.001


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