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MUNgauss RevisionA2.1 retrievium 08-Feb-2023 GDB_13 Smiles: CC1(C)N(CC2=C1C=CC2)C=N RHF 6-31G(d) (6D,10F) C1 162.115699 |X|Y|Z| 24.104236 35.544703 13.841743
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