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MUNgauss RevisionA2.1 retrievium 03-Nov-2022 GDB_13 Smiles: CC1(CCN1N=C)C1CC1C#C RHF 6-31G(d) (6D,10F) C1 162.115699 |X|Y|Z| 20.677480 15.689307 39.186743
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