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MUNgauss RevisionA2.1 retrievium 06-Apr-2022 GDB_13 Smiles: C=CCC12CC(C1)CC=C2C#C RHF 6-31G(d) (6D,10F) C1 158.109551 |X|Y|Z| 34.241423 24.969837 14.366016
23.072852 7 6 7
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