SMILES:C(=O)c1cc(ccc1)N	

FORMULA: C7H7NO
MASS: 121.1366
EXACT MASS: 121.0527638
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8400     0.0000 
   C   3    1.4550     0.8400     0.0000 
   C   4    2.2224     1.4549     0.8399     0.0000 
   C   5    2.5200     1.6800     1.4549     0.8400     0.0000 
   C   6    2.2225     1.4549     1.6800     1.4549     0.8399     0.0000 
   C   7    1.4549     0.8400     1.4549     1.6800     1.4549     0.8400 
   O   8    0.8399     1.4549     2.2224     2.9098     3.0286     2.5200 
   N   9    2.9099     2.2224     1.4549     0.8400     1.4549     2.2224 

              C   7      O   8      N   9
              ---------------------------------
   C   7    0.0000 
   O   8    1.6800     0.0000 
   N   9    2.5200     3.6615     0.0000 



ATOMIC CHARGES
   C   1    0.2341944084
   C   2    0.0435519456
   C   3    0.0213413669
   C   4    0.0891945973
   C   5    0.0180583943
   C   6    0.0014865176
   C   7    0.0033728312
   O   8   -0.2831441100
   N   9   -0.1280559512


BOND ANGLES
   8    1    2   O2   C2  Car    119.999
   1    2    3   C2  Car  Car    120.003
   1    2    7   C2  Car  Car    119.999
   7    2    3  Car  Car  Car    119.999
   2    3    4  Car  Car  Car    119.999
   9    4    5  Npl  Car  Car    119.999
   4    5    6  Car  Car  Car    120.002
   3    2    7  Car  Car  Car    119.999
   2    1    8  Car   C2   O2    119.999
   5    4    9  Car  Car  Npl    119.999


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