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HEADER
COMPND HCN (exp)
AUTHOR Gérard Dupuis
créé à partir des valeurs expérimentales.
ATOM 1 H 0.000 0.000 0.000
ATOM 2 N 2.230 0,000 0.000
ATOM 3 C 1.070 0.000 0.000
CONECT 1 3
CONECT 2 3 3 3
MASTER 0 0 0 0 0 0 0 0 5 0 0 0
END