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MUNgauss RevisionA2.1 retrievium 02-Jan-2023 GDB_13 Smiles: CC1=NC2(C)CNN=CCC2N1 RHF 6-31G(d) (6D,10F) C1 166.121847 |X|Y|Z| 20.382428 16.006151 35.669637
22.661075 10 6 7 6 4
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