SMILES:C1(=O)[C@@H]([C@@H](C(O1)CO)O)O	

FORMULA: C5H8O5
MASS: 148.1140
EXACT MASS: 148.0371734
INTERATOMIC DISTANCES

              C   1      C   2      O   3      C   4      C   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7625     0.0000 
   O   3    0.7562     1.3158     0.0000 
   C   4    1.5107     1.3042     1.3138     0.0000 
   C   5    1.3042     1.5107     0.7525     0.7625     0.0000 
   O   6    0.7633     1.3200     1.3167     2.2741     2.0029     0.0000 
   O   7    1.5875     0.8250     2.0727     1.5432     2.0545     2.0753 
   O   8    2.0598     1.5503     2.0739     0.8250     1.5875     2.7872 
   C   9    1.9980     2.2683     1.3083     1.3143     0.7576     2.6250 
   O  10    2.6167     2.7232     2.0004     1.5138     1.3125     3.3020 

              O   7      O   8      C   9      O  10
              --------------------------------------------
   O   7    0.0000 
   O   8    1.3125     0.0000 
   C   9    2.7754     2.0673     0.0000 
   O  10    3.0563     2.0481     0.7582     0.0000 



ATOMIC CHARGES
   C   1    0.3505609037
   C   2    0.2832882993
   O   3   -0.4449362900
   C   4    0.2354506038
   C   5    0.2348674173
   O   6   -0.2471773945
   O   7   -0.2081329001
   O   8   -0.2157897421
   C   9    0.2281550371
   O  10   -0.2162859346


BOND ANGLES
   7    2    1   O3   C3   C2    179.974
   8    4    2   O3   C3   C3     90.576
   4    2    1   C3   C3   C2     90.000
   4    2    7   C3   C3   O3     90.000
   5    4    2   C3   C3   C3     90.000
   4    2    1   C3   C3   C2     90.000
   4    2    7   C3   C3   O3     90.000
   1    2    7   C2   C3   O3    179.974
   2    4    8   C3   C3   O3     90.576
   5    4    8   C3   C3   O3    179.424
   2    4    5   C3   C3   C3     90.000
   4    5    3   C3   C3   O3    120.259
   8    4    5   O3   C3   C3    179.424
   4    5    3   C3   C3   O3    120.259


TORSION ANGLES
   4    2    1    3      0.026
   4    2    1    6    179.974
   7    2    1    3    180.000
   7    2    1    6    180.000
   5    3    1    2      0.026
   5    3    1    6    179.974
   8    4    2    1    179.974
   8    4    2    7      0.026
   5    4    2    1      0.026
   5    4    2    7    179.974
   9    5    3    1    179.974
   4    5    3    1      0.026
  10    9    5    3    179.974
  10    9    5    4      0.026
   2    4    5    3      0.026
   2    4    5    9    179.974
   8    4    5    3    179.974
   8    4    5    9      0.026


CHIRAL ATOMS
   C     2 is chiral: clockwise
   C     4 is chiral: clockwise
   C     5 is chiral: counterclockwise