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HEADER
COMPND COS (exp)
AUTHOR Gérard Dupuis
créé à partir des valeurs expérimentales.
ATOM 1 S 0.000 0.000 0.000
ATOM 2 O 2.722 0,000 0.000
ATOM 3 C 1.558 0.000 0.000
CONECT 1 3 3
CONECT 2 3 3
MASTER 0 0 0 0 0 0 0 0 5 0 0 0
END