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MUNgauss RevisionA2.1 retrievium 02-Jan-2023 GDB_13 Smiles: CC1=NC2(C)CNN(C=C)C2=N1 RHF 6-31G(d) (6D,10F) C1 164.106196 |X|Y|Z| 24.003060 35.394879 13.366761
22.477314 8 6 7 4 4
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