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MUNgauss RevisionA2.1 retrievium 09-Apr-2022 GDB_13 Smiles: C1C2CN1CC1=CC=C(N1)C#C2 RHF 6-31G(d) (6D,10F) C1 158.084398 |X|Y|Z| 22.230928 27.530036 14.905088
20.894547 12 6 7 10 2
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