SMILES:C(=O)(c1ccc(cc1)O)N	

FORMULA: C7H7NO2
MASS: 137.1360
EXACT MASS: 137.0476785
INTERATOMIC DISTANCES

              C   1      C   2      O   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7500     0.0000 
   O   3    0.7525     1.3029     0.0000 
   C   4    1.2935     0.7447     1.9822     0.0000 
   C   5    1.2956     0.7483     1.5000     1.2958     0.0000 
   N   6    0.7504     1.2993     1.3000     1.4958     1.9818     0.0000 
   C   7    2.2500     1.5001     2.7054     1.3071     1.2967     2.7073 
   C   8    1.9909     1.3044     2.6073     0.7625     1.5035     2.2583 
   C   9    1.9819     1.2978     2.2500     1.5008     0.7500     2.5970 
   O  10    3.0000     2.2500     3.4388     1.9912     1.9844     3.4394 

              C   7      C   8      C   9      O  10
              --------------------------------------------
   C   7    0.0000 
   C   8    0.7535     0.0000 
   C   9    0.7454     1.3001     0.0000 
   O  10    0.7500     1.2963     1.2988     0.0000 



ATOMIC CHARGES
   C   1    0.2841709969
   C   2    0.0568624147
   O   3   -0.2666667412
   C   4    0.0078992385
   C   5    0.0078992385
   N   6   -0.0836950509
   C   7    0.1957489571
   C   8    0.0421755757
   C   9    0.0421755757
   O  10   -0.2865702049


BOND ANGLES
   8    7    9  Car  Car  Car    120.300
   7    9    5  Car  Car  Car    120.259
   9    7    8  Car  Car  Car    120.300
   7    8    4  Car  Car  Car    119.120


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