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calcium oxalate
calcium oxalate ID: AN-45949
CAS:563-72-4
Supplier:AN PharmaTech Co Ltd

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SMILES:[Ca+2].[O-]C(=O)C(=O)[O-]	33005
FORMULA: C2CaO4
MASS: 128.0970
EXACT MASS: 127.9422495
INTERATOMIC DISTANCES

             Ca   1      O   2      O   3      O   4      O   5      C   6
              ------------------------------------------------------------------
  Ca   1    0.0000 
   O   2    1.0000     0.0000 
   O   3    0.9999     1.6180     0.0000 
   O   4    2.5876     2.5876     1.7820     0.0000 
   O   5    2.5876     1.7820     2.5876     2.1756     0.0000 
   C   6    1.6180     1.0000     1.6180     1.7819     1.0001     0.0000 
   C   7    1.6180     1.6180     1.0000     1.0000     1.7821     0.9999 

              C   7
              -----------
   C   7    0.0000 



ATOMIC CHARGES
  Ca   1    0.0000000000
   O   2   -0.5000000000
   O   3   -0.5000000000
   O   4   -0.5000000000
   O   5   -0.5000000000
   C   6    0.0000000000
   C   7    0.0000000000


BOND ANGLES
   2    6    5 O.co2  Cac O.co2    125.995
   2    6    7 O.co2  Cac  Cac    108.001
   5    6    7 O.co2  Cac  Cac    126.004
   3    7    4 O.co2  Cac O.co2    126.001
   3    7    6 O.co2  Cac  Cac    108.000
   4    7    6 O.co2  Cac  Cac    125.999


TORSION ANGLES
   2    6    7    3      0.026
   2    6    7    4    179.974
   5    6    7    3    179.974
   5    6    7    4      0.026