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MUNgauss RevisionA2.1 retrievium 03-Nov-2022 GDB_13 Smiles: CC1C(C)N1N=C1NNCC1=C RHF 6-31G(d) (6D,10F) C1 166.121847 |X|Y|Z| 15.918450 20.771736 43.627770
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