SMILES:c12C(=O)CCCc1nccc2	

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

              C   1      C   2      C   3      N   4      O   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8353     0.0000 
   C   3    0.8252     1.4364     0.0000 
   N   4    1.4293     2.1941     0.8314     0.0000 
   O   5    1.4364     0.8252     2.1887     2.8656     0.0000 
   C   6    0.8290     1.4380     1.4376     1.6548     1.6537     0.0000 
   C   7    1.4463     0.8361     1.6610     2.4924     1.4415     2.2018 
   C   8    1.6621     1.4376     1.4380     2.1995     2.1926     2.4911 
   C   9    1.4376     1.6631     0.8290     1.4382     2.4883     2.1970 
   C  10    1.6537     2.4890     1.4380     0.8247     2.9847     1.4364 
   C  11    1.4257     2.1872     1.6558     1.4316     2.4741     0.8204 

              C   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    0.8254     0.0000 
   C   9    1.4407     0.8353     0.0000 
   C  10    2.9954     2.8760     2.1937     0.0000 
   C  11    2.8720     2.9872     2.4848     0.8338     0.0000 



ATOMIC CHARGES
   C   1    0.0482772752
   C   2    0.1741845887
   C   3    0.0617298328
   N   4   -0.2480592009
   O   5   -0.2912982253
   C   6    0.0056153382
   C   7    0.0695943102
   C   8    0.0144087437
   C   9    0.0463508879
   C  10    0.0984485730
   C  11    0.0207478765


BOND ANGLES
   8    7    2   C3   C3   C2    119.816
   7    2    1   C3   C2  Car    119.837
   4   10   11  Nar  Car  Car    119.355
  10   11    6  Car  Car  Car    120.528
  11   10    4  Car  Car  Nar    119.355
  10    4    3  Car  Nar  Car    120.529
   2    7    8   C2   C3   C3    119.816
   7    8    9   C3   C3   C3    120.347


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