SMILES:N1C(=O)Cc2ccccc12	

FORMULA: C8H7NO
MASS: 133.1473
EXACT MASS: 133.0527638
INTERATOMIC DISTANCES

              N   1      C   2      O   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.8938     0.0000 
   O   3    1.5927     0.8938     0.0000 
   C   4    1.4461     0.8937     1.5927     0.0000 
   C   5    1.4462     1.4461     2.3127     0.8937     0.0000 
   C   6    2.2916     2.3277     3.1716     1.6329     0.8937     0.0000 
   C   7    2.6682     2.9573     3.8432     2.4138     1.5480     0.8937 
   C   8    2.4139     2.9573     3.8432     2.6682     1.7875     1.5480 
   C   9    1.6329     2.3277     3.1716     2.2916     1.5481     1.7875 
   C  10    0.8937     1.4461     2.3127     1.4461     0.8938     1.5480 

              C   7      C   8      C   9      C  10
              --------------------------------------------
   C   7    0.0000 
   C   8    0.8938     0.0000 
   C   9    1.5481     0.8938     0.0000 
   C  10    1.7875     1.5480     0.8938     0.0000 



ATOMIC CHARGES
   N   1   -0.1792327949
   C   2    0.2500281751
   O   3   -0.2726176923
   C   4    0.1147370022
   C   5    0.0023505618
   C   6   -0.0024968814
   C   7   -0.0002262071
   C   8    0.0013147697
   C   9    0.0162890753
   C  10    0.0698539915


BOND ANGLES
  10    1    2  Car  Nam   C2    107.996
   1    2    3  Nam   C2   O2    125.997
   1    2    4  Nam   C2   C3    108.003
   4    2    3   C3   C2   O2    126.001
   3    2    4   O2   C2   C3    126.001
   2    4    5   C2   C3  Car    108.005
  10    5    6  Car  Car  Car    119.996
   5    6    7  Car  Car  Car    120.008
   2    1   10   C2  Nam  Car    107.996
   6    5   10  Car  Car  Car    119.996


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