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MUNgauss RevisionA2.1 retrievium 02-Nov-2022 GDB_13 Smiles: CC1CCN1N1C=CN(C)C1=N RHF 6-31G(d) (6D,10F) C1 166.121847 |X|Y|Z| 38.848670 16.148218 20.220632
23.321966 9 6 7 6 3
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