SMILES:[nH]1ccc2ccc(cc12)OC	

FORMULA: C9H9NO
MASS: 147.1739
EXACT MASS: 147.0684139
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.8938     0.0000 
   C   3    1.4461     0.8937     0.0000 
   C   4    1.4462     1.4461     0.8937     0.0000 
   C   5    2.2916     2.3277     1.6329     0.8937     0.0000 
   C   6    2.6682     2.9573     2.4138     1.5480     0.8937     0.0000 
   C   7    2.4139     2.9573     2.6682     1.7875     1.5480     0.8938 
   C   8    1.6329     2.3277     2.2916     1.5481     1.7875     1.5481 
   C   9    0.8937     1.4461     1.4461     0.8938     1.5480     1.7875 
   O  10    3.1766     3.8038     3.5603     2.6813     2.3646     1.5481 
   C  11    3.9557     4.4936     4.1158     3.2224     2.6812     1.7875 

              C   7      C   8      C   9      O  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    0.8938     0.0000 
   C   9    1.5480     0.8938     0.0000 
   O  10    0.8938     1.5480     2.3646     0.0000 
   C  11    1.5480     2.3646     3.0960     0.8938     0.0000 



ATOMIC CHARGES
   N   1   -0.2437344402
   C   2    0.0988762252
   C   3    0.0221279219
   C   4    0.0193963876
   C   5    0.0046581470
   C   6    0.0370006696
   C   7    0.1402380456
   C   8    0.0559713573
   C   9    0.0843744578
   O  10   -0.4713762977
   C  11    0.2524675259


BOND ANGLES
   9    1    2  Car  Nar  Car    107.996
   1    2    3  Nar  Car  Car    108.003
   9    4    5  Car  Car  Car    119.996
   4    5    6  Car  Car  Car    120.008
  10    7    8   O3  Car  Car    119.997
   7    8    9  Car  Car  Car    119.997
   2    1    9  Car  Nar  Car    107.996
   5    4    9  Car  Car  Car    119.996
   8    7   10  Car  Car   O3    119.997
   7   10   11  Car   O3   C3    119.997


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