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MUNgauss RevisionA2.1 retrievium 16-Nov-2022 GDB_13 Smiles: CC1N=CNN=CN(C)C=C1C RHF 6-31G(d) (6D,10F) C1 166.121847 |X|Y|Z| 30.917851 26.054845 17.541573
24.176241 9 6 7 5 4
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