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MUNgauss RevisionA2.1 retrievium 06-Apr-2022 GDB_13 Smiles: C#CCC12CC=CC1C=CCC2 RHF 6-31G(d) (6D,10F) C1 158.109551 |X|Y|Z| 27.222456 29.359235 15.829526
23.301291 9 6 9
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