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MUNgauss RevisionA2.1 retrievium 02-Jan-2023 GDB_13 Smiles: CC1N=CNC1C1=NCCCN1 RHF 6-31G(d) (6D,10F) C1 166.121847 |X|Y|Z| 19.230796 16.087226 39.152840
22.965747 11 6 7 7 4
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