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MUNgauss RevisionA2.1 retrievium 04-Jan-2023 GDB_13 Smiles: CC1=NC2C(N1)C21NC(=N)C=C1 RHF 6-31G(d) (6D,10F) C1 162.090546 |X|Y|Z| 21.176638 36.789914 13.197028
21.744728 10 6 7 7 3
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