SMILES:c1(c2c([nH]c1)cc(cc2)C)C(=O)C	

FORMULA: C11H11NO
MASS: 173.2111
EXACT MASS: 173.0840640
INTERATOMIC DISTANCES

              C   1      C   2      C   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8275     0.0000 
   C   3    0.8258     1.3401     0.0000 
   N   4    1.3416     1.3427     0.8326     0.0000 
   C   5    1.3427     0.8334     1.3427     0.8275     0.0000 
   C   6    0.8285     1.5429     1.3898     2.1025     2.1680     0.0000 
   C   7    1.5125     0.8269     2.1558     2.1243     1.4373     1.9935 
   O   8    1.4335     1.8570     2.1587     2.7750     2.6373     0.8275 
   C   9    2.1243     1.4373     2.1590     1.5125     0.8269     2.9309 
   C  10    2.2322     1.4292     2.7342     2.4654     1.6502     2.8032 
   C  11    2.4691     1.6544     2.7368     2.2312     1.4292     3.1876 
   C  12    1.4285     2.2437     1.5752     2.4031     2.7118     0.8250 
   C  13    3.2927     2.4794     3.5189     2.9356     2.1831     4.0105 

              C   7      O   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    1.9623     0.0000 
   C   9    1.6584     3.2909     0.0000 
   C  10    0.8275     2.7811     1.4280     0.0000 
   C  11    1.4352     3.3486     0.8233     0.8250     0.0000 
   C  12    2.7947     1.4352     3.5251     3.5874     3.8952     0.0000 
   C  13    2.1876     4.1379     1.4272     1.4286     0.8249     4.7196 

              C  13
              -----------
   C  13    0.0000 



ATOMIC CHARGES
   C   1    0.0552570366
   C   2    0.0218903838
   C   3    0.1016735601
   N   4   -0.2437523443
   C   5    0.0811310758
   C   6    0.1750366707
   C   7    0.0013135473
   O   8   -0.2912734421
   C   9    0.0148448211
   C  10   -0.0041575558
   C  11   -0.0203548056
   C  12    0.0773140893
   C  13    0.0310769632


BOND ANGLES
   5    4    3  Car  Nar  Car    107.954
   4    3    1  Nar  Car  Car    107.983
   9   11   10  Car  Car  Car    120.069
  11   10    7  Car  Car  Car    120.572
  13   11   10   C3  Car  Car    119.962
  11   10    7  Car  Car  Car    120.572
   3    4    5  Car  Nar  Car    107.954
   4    5    2  Nar  Car  Car    107.883
  10   11    9  Car  Car  Car    120.069
  11    9    5  Car  Car  Car    120.009
  13   11    9   C3  Car  Car    119.969
  11    9    5  Car  Car  Car    120.009
  10   11   13  Car  Car   C3    119.962
   9   11   13  Car  Car   C3    119.969


TORSION ANGLES
   5    2    1    3      0.026
   5    2    1    6    179.974
   7    2    1    3    179.974
   7    2    1    6      0.026
   4    3    1    2      0.026
   4    3    1    6    179.974
   5    4    3    1      0.026
   9    5    2    1    179.974
   9    5    2    7      0.026
   4    5    2    1      0.026
   4    5    2    7    179.974
   8    6    1    2      0.026
   8    6    1    3    179.974
  12    6    1    2    179.974
  12    6    1    3      0.026
  10    7    2    1    179.974
  10    7    2    5      0.026
  11    9    5    2      0.026
  11    9    5    4    179.974
  11   10    7    2      0.026
   9   11   10    7      0.026
  13   11   10    7    179.974
   3    4    5    2      0.026
   3    4    5    9    179.974
  10   11    9    5      0.026
  13   11    9    5    179.974