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MUNgauss RevisionA2.1 retrievium 05-Apr-2022 GDB_13 Smiles: C=C(CC1CC1)C#CC=CC#C RHF 6-31G(d) (6D,10F) C1 156.093900 |X|Y|Z| 24.293079 11.982904 53.861062
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