SMILES:[nH]1ccc2c(cccc12)O	

FORMULA: C8H7NO
MASS: 133.1473
EXACT MASS: 133.0527638
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    1.4461     0.8938     0.0000 
   C   4    1.4461     1.4461     0.8937     0.0000 
   C   5    2.2916     2.3277     1.6329     0.8938     0.0000 
   C   6    2.6682     2.9573     2.4139     1.5480     0.8938     0.0000 
   C   7    2.4139     2.9572     2.6682     1.7875     1.5480     0.8937 
   C   8    1.6329     2.3277     2.2916     1.5480     1.7875     1.5480 
   C   9    0.8937     1.4461     1.4461     0.8937     1.5480     1.7875 
   O  10    2.9900     2.7955     1.9417     1.5480     0.8937     1.5480 

              C   7      C   8      C   9      O  10
              --------------------------------------------
   C   7    0.0000 
   C   8    0.8938     0.0000 
   C   9    1.5480     0.8938     0.0000 
   O  10    2.3646     2.6812     2.3646     0.0000 



ATOMIC CHARGES
   N   1   -0.2437322418
   C   2    0.0989788393
   C   3    0.0253171837
   C   4    0.0581076966
   C   5    0.1971481593
   C   6    0.0421279815
   C   7    0.0048261535
   C   8    0.0193041163
   C   9    0.0844412757
   O  10   -0.2865191642


BOND ANGLES
   9    1    2  Car  Nar  Car    107.999
   1    2    3  Nar  Car  Car    108.003
   9    4    5  Car  Car  Car    120.002
   4    5    6  Car  Car  Car    119.997
   4    5   10  Car  Car   O3    120.002
  10    5    6   O3  Car  Car    120.002
   5    6    7  Car  Car  Car    120.002
   2    1    9  Car  Nar  Car    107.999
   5    4    9  Car  Car  Car    120.002
   6    5   10  Car  Car   O3    120.002


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
   3    4    5   10      0.026
   9    4    5    6      0.026
   9    4    5   10    179.974
   4    5    6    7      0.026
  10    5    6    7    179.974
   5    6    7    8      0.026
   6    7    8    9      0.026
   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