SMILES:c1(c(noc1C)c1ccccc1)C=O	

FORMULA: C11H9NO2
MASS: 187.1947
EXACT MASS: 187.0633285
INTERATOMIC DISTANCES

              C   1      N   2      C   3      O   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    2.5107     0.0000 
   C   3    2.1750     1.2625     0.0000 
   O   4    2.1929     1.2669     2.2001     0.0000 
   C   5    1.2542     2.1750     2.5149     1.2669     0.0000 
   C   6    1.4460     3.9567     3.5048     3.5142     2.3348     0.0000 
   C   7    3.5009     2.3409     1.4409     3.5180     3.9557     4.6833 
   O   8    2.5000     4.8403     4.6750     4.0615     2.7970     1.4316 
   C   9    2.1954     3.3381     3.7904     2.1875     1.2756     2.6173 
   C  10    4.0617     3.6577     2.5086     4.7087     4.8525     4.9088 
   C  11    4.6750     2.8007     2.5000     4.0654     4.8425     5.9749 
   C  12    5.9692     4.2403     3.8179     5.5058     6.2468     7.1833 
   C  13    5.5014     4.8484     3.8226     5.9959     6.2540     6.3237 
   C  14    6.3145     5.0871     4.3351     6.3332     6.8500     7.3323 

              C   7      O   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    5.9692     0.0000 
   C   9    5.2313     2.3601     0.0000 
   C  10    1.4583     6.3145     6.0950     0.0000 
   C  11    1.4409     7.1750     6.0821     2.5086     0.0000 
   C  12    2.5000     8.4561     7.4994     2.8942     1.4409     0.0000 
   C  13    2.5086     7.7389     7.5094     1.4409     2.8917     2.5086 
   C  14    2.8942     8.7033     8.1255     2.5000     2.5086     1.4583 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    1.4409     0.0000 



ATOMIC CHARGES
   C   1    0.0958412394
   N   2   -0.0772524766
   C   3    0.1257434722
   O   4   -0.3576506706
   C   5    0.1579170760
   C   6    0.2385685508
   C   7    0.0210273309
   O   8   -0.2829914271
   C   9    0.0754893574
   C  10    0.0016032052
   C  11    0.0016032052
   C  12    0.0000499503
   C  13    0.0000499503
   C  14    0.0000012367


BOND ANGLES
   2    4    5  Nar   O2  Car    118.266
   4    5    1   O2  Car  Car    120.867
  13   14   12  Car  Car  Car    119.828
  14   12   11  Car  Car  Car    119.828
   5    4    2  Car   O2  Nar    118.266
   4    2    3   O2  Nar  Car    120.867
  12   14   13  Car  Car  Car    119.828
  14   13   10  Car  Car  Car    120.344


TORSION ANGLES
   4    2    3    1      0.026
   4    2    3    7    179.974
   2    3    1    5      0.026
   2    3    1    6    179.974
   7    3    1    5    179.974
   7    3    1    6      0.026
   2    4    5    1      0.026
   2    4    5    9    179.974
   4    5    1    3      0.026
   4    5    1    6    179.974
   9    5    1    3    179.974
   9    5    1    6      0.026
   8    6    1    3    179.974
   8    6    1    5      0.026
  10    7    3    2    179.974
  10    7    3    1      0.026
  11    7    3    2      0.026
  11    7    3    1    179.974
  13   10    7    3    179.974
  13   10    7   11      0.026
  12   11    7    3    179.974
  12   11    7   10      0.026
  14   12   11    7      0.026
  14   13   10    7      0.026
  13   14   12   11      0.026
   5    4    2    3      0.026
  12   14   13   10      0.026