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MUNgauss RevisionA2.1 retrievium 24-Nov-2022 GDB_13 Smiles: C=C1C=CN(C=N)C=CCC#C1 RHF 6-31G(d) (6D,10F) C1 158.084398 |X|Y|Z| 24.501531 30.355780 16.963873
23.280191 9 6 7 8 1
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