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MUNgauss RevisionA2.1 retrievium 03-Nov-2022 GDB_13 Smiles: CC1CCN1N=C1CC=NN1C RHF 6-31G(d) (6D,10F) C1 166.121847 |X|Y|Z| 20.732632 15.247638 40.198957
23.335867 10 6 7 6 4
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