SMILES:C(=O)([C@H](CC(=O)O)Cc1ccccc1)O	

FORMULA: C11H12O4
MASS: 208.2106
EXACT MASS: 208.0735589
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8233     0.0000 
   C   3    1.6500     1.4280     0.0000 
   C   4    1.4280     0.8250     0.8233     0.0000 
   C   5    1.4292     0.8269     2.1829     1.4301     0.0000 
   O   6    0.8250     1.4259     2.4750     2.1807     1.6466     0.0000 
   O   7    2.4750     2.1848     0.8250     1.4321     2.8622     3.3000 
   O   8    0.8212     1.4250     1.4316     1.6487     2.1803     1.4264 
   O   9    1.4243     1.6445     0.8254     1.4250     2.4714     2.1795 
   C  10    2.1826     1.4292     2.4694     1.6461     0.8275     2.4741 
   C  11    2.8625     2.1877     3.2999     2.4766     1.4333     2.9773 
   C  12    2.4798     1.6565     2.1787     1.4293     1.4388     2.9790 
   C  13    3.5997     2.8625     3.7804     2.9767     2.1867     3.7819 
   C  14    3.3103     2.4870     2.8625     2.1916     2.1951     3.7891 
   C  15    3.7872     2.9825     3.5973     2.8625     2.4833     4.1299 

              O   7      O   8      O   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   O   8    2.1834     0.0000 
   O   9    1.4275     0.8250     0.0000 
   C  10    2.9736     2.8542     2.9676     0.0000 
   C  11    3.7850     3.5973     3.7791     0.8305     0.0000 
   C  12    2.4745     2.9757     2.8542     0.8292     1.4357     0.0000 
   C  13    4.1303     4.2875     4.3638     1.4333     0.8233     1.6559 
   C  14    2.9836     3.7886     3.6007     1.4357     1.6542     0.8305 
   C  15    3.7869     4.3693     4.2875     1.6559     1.4316     1.4333 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    1.4316     0.0000 
   C  15    0.8292     0.8233     0.0000 



ATOMIC CHARGES
   C   1    0.3652054358
   C   2    0.1189490465
   C   3    0.3654332004
   C   4    0.1256061340
   C   5    0.0381598577
   O   6   -0.2456417765
   O   7   -0.2456385095
   O   8   -0.2456417765
   O   9   -0.2456385095
   C  10   -0.0216216768
   C  11   -0.0042533108
   C  12   -0.0042533108
   C  13   -0.0003223907
   C  14   -0.0003223907
   C  15   -0.0000200226


BOND ANGLES
   5    2    1   C3   C3  Cac    120.009
   1    2    5  Cac   C3   C3    120.009
  15   13   11  Car  Car  Car    120.069
  13   11   10  Car  Car  Car    120.150
  11   13   15  Car  Car  Car    120.069
  13   15   14  Car  Car  Car    120.069


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


CHIRAL ATOMS
   C     2 is chiral: counterclockwise