SMILES:c1c(cc2c(c1)c(ccc2)C(=O)O)OC	ChemMol.com

FORMULA: C12H10O3
MASS: 202.2060
EXACT MASS: 202.0629942
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8274     0.0000 
   C   3    1.4309     0.8254     0.0000 
   C   4    0.8229     1.4305     1.6530     0.0000 
   C   5    1.4273     1.6525     1.4340     0.8242     0.0000 
   C   6    1.6504     1.4291     0.8250     1.4321     0.8310     0.0000 
   C   7    2.4796     2.1874     1.4333     2.1892     1.4372     0.8292 
   C   8    2.9816     2.8667     2.1919     2.4834     1.6592     1.4376 
   C   9    2.8608     2.9821     2.4849     2.1862     1.4335     1.6599 
   C  10    2.1821     2.4790     2.1895     1.4294     0.8265     1.4369 
   O  11    1.4312     0.8250     1.4296     2.1836     2.4775     2.1831 
   C  12    1.6516     1.4290     2.1834     2.4745     2.9755     2.8581 
   C  13    2.4731     2.9775     2.8638     1.6502     1.4298     2.1902 
   O  14    3.2974     3.7823     3.6001     2.4745     2.1818     2.8629 
   O  15    2.1776     2.8564     2.9750     1.4258     1.6457     2.4767 

              C   7      C   8      C   9      C  10      O  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.8307     0.0000 
   C   9    1.4403     0.8342     0.0000 
   C  10    1.6603     1.4391     0.8278     0.0000 
   O  11    2.8629     3.6055     3.7888     3.3040     0.0000 
   C  12    3.6010     4.2957     4.3717     3.7825     0.8251     0.0000 
   C  13    2.4853     2.1931     1.4309     0.8250     3.7828     4.1247 
   O  14    2.9816     2.4805     1.6463     1.4261     4.5946     4.9490 
   O  15    2.9793     2.8635     2.1808     1.4244     3.5936     3.7765 

              C  13      O  14      O  15
              ---------------------------------
   C  13    0.0000 
   O  14    0.8243     0.0000 
   O  15    0.8214     1.4290     0.0000 



ATOMIC CHARGES
   C   1    0.0369028336
   C   2    0.1387339043
   C   3    0.0369015630
   C   4    0.0033203636
   C   5    0.0065686883
   C   6    0.0032195014
   C   7    0.0001047901
   C   8    0.0002120147
   C   9    0.0065764073
   C  10    0.0797725448
   O  11   -0.4714269525
   C  12    0.2524665708
   C  13    0.3877521606
   O  14   -0.2405521950
   O  15   -0.2405521950


BOND ANGLES
   6    5    4  Car  Car  Car    119.817
   5    4    1  Car  Car  Car    120.123
  13   10    5  Cac  Car  Car    119.939
  10    5    4  Car  Car  Car    119.987
  10    5    6  Car  Car  Car    120.196
   3    2   11  Car  Car   O3    120.041
   2   11   12  Car   O3   C3    120.002
  11    2    3   O3  Car  Car    120.041
   2    3    6  Car  Car  Car    119.969
   5   10   13  Car  Car  Cac    119.939
  10   13   14  Car  Cac O.co2    119.681
  10   13   15  Car  Cac O.co2    119.798
   4    5    6  Car  Car  Car    119.817
   5    6    7  Car  Car  Car    119.922
  15   13   14 O.co2  Cac O.co2    120.521
  14   13   15 O.co2  Cac O.co2    120.521


TORSION ANGLES
   2    3    6    7    179.974
   2    3    6    5      0.026
   3    6    7    8    179.974
   5    6    7    8      0.026
   4    1    2   11    179.974
   4    1    2    3      0.026
   6    7    8    9      0.026
  10    5    4    1    179.974
   6    5    4    1      0.026
   7    8    9   10      0.026
   5    4    1    2      0.026
   8    9   10    5      0.026
   8    9   10   13    179.974
   9   10    5    4    179.974
   9   10    5    6      0.026
  13   10    5    4      0.026
  13   10    5    6    179.974
   1    2   11   12      0.026
   3    2   11   12    179.974
   1    2    3    6      0.026
  11    2    3    6    179.974
   9   10   13   14      0.026
   9   10   13   15    179.974
   5   10   13   14    179.974
   5   10   13   15      0.026
   4    5    6    3      0.026
   4    5    6    7    179.974
  10    5    6    3    179.974
  10    5    6    7      0.026