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MUNgauss RevisionA2.1 retrievium 16-Nov-2022 GDB_13 Smiles: CC1(N)CNN(C=N)C(=C)C1=C RHF 6-31G(d) (6D,10F) C1 166.121847 |X|Y|Z| 23.662027 35.303404 15.146357
23.301949 6 6 7 4 2
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