SMILES:[nH]1ccc2cccc(c12)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    0.8937     0.0000 
   C   3    1.4460     0.8937     0.0000 
   C   4    1.4461     1.4461     0.8937     0.0000 
   C   5    2.2916     2.3278     1.6330     0.8938     0.0000 
   C   6    2.6682     2.9573     2.4139     1.5480     0.8937     0.0000 
   C   7    2.4139     2.9573     2.6682     1.7875     1.5480     0.8938 
   C   8    1.6330     2.3277     2.2915     1.5480     1.7875     1.5480 
   C   9    0.8938     1.4461     1.4461     0.8938     1.5480     1.7875 
   O  10    1.9418     2.7955     2.9900     2.3647     2.6813     2.3647 
   C  11    2.8345     3.6794     3.8074     3.0960     3.2225     2.6813 

              C   7      C   8      C   9      O  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    0.8938     0.0000 
   C   9    1.5480     0.8937     0.0000 
   O  10    1.5481     0.8938     1.5480     0.0000 
   C  11    1.7875     1.5480     2.3646     0.8937     0.0000 



ATOMIC CHARGES
   N   1   -0.2407784749
   C   2    0.0989933142
   C   3    0.0222283866
   C   4    0.0221844726
   C   5    0.0017482004
   C   6    0.0032130924
   C   7    0.0384631411
   C   8    0.1561754391
   C   9    0.1151394644
   O  10   -0.4699088729
   C  11    0.2525418370


BOND ANGLES
   9    1    2  Car  Nar  Car    108.002
   1    2    3  Nar  Car  Car    108.002
   9    4    5  Car  Car  Car    119.997
   4    5    6  Car  Car  Car    120.002
  10    8    9   O3  Car  Car    119.999
   2    1    9  Car  Nar  Car    108.002
   5    4    9  Car  Car  Car    119.997
   9    8   10  Car  Car   O3    119.999
   8   10   11  Car   O3   C3    119.999


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
   6    7    8    9      0.026
   6    7    8   10    179.974
   7    8    9    1    179.974
   7    8    9    4      0.026
  10    8    9    1      0.026
  10    8    9    4    179.974
   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
   7    8   10   11      0.026
   9    8   10   11    179.974