SMILES:C(=O)c1ccc(cc1)Oc1ccccc1	

FORMULA: C13H10O2
MASS: 198.2173
EXACT MASS: 198.0680796
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8463     0.0000 
   C   3    1.4657     0.8462     0.0000 
   C   4    2.2389     1.4657     0.8463     0.0000 
   C   5    2.5387     1.6924     1.4657     0.8462     0.0000 
   C   6    2.2389     1.4657     1.6925     1.4658     0.8463     0.0000 
   C   7    1.4657     0.8462     1.4656     1.6924     1.4657     0.8462 
   O   8    0.8463     1.4658     2.2389     2.9315     3.0512     2.5387 
   O   9    3.3850     2.5387     2.2390     1.4658     0.8463     1.4658 
   C  10    3.8780     3.0512     2.5388     1.6925     1.4658     2.2391 
   C  11    3.6887     2.9315     2.2390     1.4658     1.6925     2.5388 
   C  12    4.3972     3.6886     2.9315     2.2389     2.5387     3.3850 
   C  13    5.1475     4.3972     3.6887     2.9315     3.0512     3.8780 
   C  14    5.2848     4.4779     3.8780     3.0512     2.9315     3.6888 
   C  15    4.7117     3.8779     3.3850     2.5387     2.2390     2.9315 

              C   7      O   8      O   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    1.6925     0.0000 
   O   9    2.2390     3.8780     0.0000 
   C  10    2.9315     4.4780     0.8463     0.0000 
   C  11    3.0512     4.3973     1.4658     0.8462     0.0000 
   C  12    3.8779     5.1475     2.2389     1.4656     0.8462     0.0000 
   C  13    4.4779     5.8630     2.5387     1.6924     1.4657     0.8463 
   C  14    4.3972     5.9238     2.2390     1.4657     1.6924     1.4657 
   C  15    3.6887     5.2848     1.4657     0.8462     1.4657     1.6925 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    0.8462     0.0000 
   C  15    1.4658     0.8463     0.0000 



ATOMIC CHARGES
   C   1    0.2341539545
   C   2    0.0424110485
   C   3    0.0064182561
   C   4    0.0375955759
   C   5    0.1453003276
   C   6    0.0375955759
   C   7    0.0064182561
   O   8   -0.2831446784
   O   9   -0.4534966430
   C  10    0.1452977520
   C  11    0.0374925254
   C  12    0.0031317342
   C  13    0.0002020558
   C  14    0.0031317342
   C  15    0.0374925254


BOND ANGLES
   8    1    2   O2   C2  Car    120.005
   1    2    3   C2  Car  Car    120.001
   1    2    7   C2  Car  Car    119.998
   7    2    3  Car  Car  Car    120.001
   2    3    4  Car  Car  Car    120.001
   9    5    6   O3  Car  Car    119.993
   5    6    7  Car  Car  Car    119.990
   3    2    7  Car  Car  Car    120.001
   2    1    8  Car   C2   O2    120.005
  15   10   11  Car  Car  Car    120.007
  10   11   12  Car  Car  Car    120.001
  11   10   15  Car  Car  Car    120.007
   6    5    9  Car  Car   O3    119.993
   5    9   10  Car   O3  Car    119.993


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