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MUNgauss RevisionA2.1 retrievium 03-Jan-2023 GDB_13 Smiles: CC1NC2(C)CNN=CNC2=C1 RHF 6-31G(d) (6D,10F) C1 166.121847 |X|Y|Z| 20.980114 18.910522 33.226948
23.622939 10 6 7 6 4
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