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MUNgauss RevisionA2.1 retrievium 02-Nov-2022 GDB_13 Smiles: CC1CCN1N1C=CC(=C1)C#C RHF 6-31G(d) (6D,10F) C1 160.100048 |X|Y|Z| 18.470544 14.493352 44.358795
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