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MUNgauss RevisionA2.1 retrievium 04-Apr-2022 GDB_13 Smiles: C#CCC12C=CCC3CCC1C23 RHF 6-31G(d) (6D,10F) C1 158.109551 |X|Y|Z| 35.562609 20.956200 16.261824
22.969866 9 6 9
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