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FORMU01_ALERT_2_G  There is a discrepancy between the atom counts in the
            _chemical_formula_sum and the formula from the _atom_site* data.
            Atom count from _chemical_formula_sum:C33 H1 Cl2 Co1 N5 O4
            Atom count from the _atom_site data:  C33 H25 Cl2 Co1 N5 O4.333333


resÖР  O6    6    0.000000    0.000000    0.235727  Sample Text  0.48248


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