SMILES:c12c(nccc2)CCC(=O)C1	

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

              C   1      C   2      N   3      C   4      C   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8333     0.0000 
   N   3    1.4321     0.8301     0.0000 
   C   4    0.8296     1.4440     2.1951     0.0000 
   C   5    1.4376     1.6642     2.4941     0.8341     0.0000 
   O   6    2.1916     2.4875     3.3174     1.4375     0.8233     0.0000 
   C   7    1.4301     0.8192     1.4375     1.6625     1.4429     2.1951 
   C   8    1.6611     1.4375     2.2015     1.4471     0.8375     1.4367 
   C   9    0.8305     1.4414     1.6500     1.4334     2.1951     2.8708 
   C  10    1.6538     1.4375     0.8233     2.4833     2.9905     3.7951 
   C  11    1.4333     1.6616     1.4280     2.1875     2.8708     3.6084 

              C   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    0.8341     0.0000 
   C   9    2.1884     2.4915     0.0000 
   C  10    2.1892     2.8750     1.4280     0.0000 
   C  11    2.4807     2.9910     0.8233     0.8250     0.0000 



ATOMIC CHARGES
   C   1   -0.0011757874
   C   2    0.0558712173
   N   3   -0.2484428970
   C   4    0.0919282477
   C   5    0.1554496676
   O   6   -0.2956934862
   C   7    0.0532405339
   C   8    0.0711344973
   C   9   -0.0010821293
   C  10    0.0984248920
   C  11    0.0203452441


BOND ANGLES
   7    8    5   C3   C3   C2    119.351
   8    5    4   C3   C2   C3    119.926
   3   10   11  Nar  Car  Car    120.069
  10   11    9  Car  Car  Car    120.069
  11   10    3  Car  Car  Nar    120.069
  10    3    2  Car  Nar  Car    120.791
   5    8    7   C2   C3   C3    119.351
   8    7    2   C3   C3  Car    120.795


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