SMILES:n1c(ccc(c1)CO)O	

FORMULA: C6H7NO2
MASS: 125.1253
EXACT MASS: 125.0476785
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7468     0.0000 
   C   3    1.3035     1.5001     0.0000 
   C   4    0.7500     1.2972     0.7576     0.0000 
   C   5    1.2958     0.7463     1.3003     1.5014     0.0000 
   C   6    1.5008     1.3014     0.7432     1.3000     0.7583     0.0000 
   O   7    1.2972     0.7500     2.2500     1.9831     1.2921     1.9859 
   O   8    2.6027     2.7073     1.2993     1.9904     2.2583     1.5000 
   C   9    1.9872     2.2500     0.7500     1.3035     1.9883     1.2951 

              O   7      O   8      C   9
              ---------------------------------
   O   7    0.0000 
   O   8    3.4394     0.0000 
   C   9    3.0000     0.7504     0.0000 



ATOMIC CHARGES
   N   1   -0.2065849471
   C   2    0.2793217913
   C   3    0.0299600934
   C   4    0.1004239323
   C   5    0.0623038057
   C   6    0.0047513408
   O   7   -0.2651950868
   O   8   -0.2151175415
   C   9    0.2101366120


BOND ANGLES
   6    5    2  Car  Car  Car    119.747
   5    2    1  Car  Car  Nar    120.428
   2    5    6  Car  Car  Car    119.747
   5    6    3  Car  Car  Car    119.984


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