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MUNgauss RevisionA2.1 retrievium 03-Jan-2023 GDB_13 Smiles: CC1N=CNC1(C)C1=CNC=N1 RHF 6-31G(d) (6D,10F) C1 164.106196 |X|Y|Z| 34.448879 20.962531 16.545447
22.861205 10 6 7 6 4
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