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MUNgauss RevisionA2.1 retrievium 03-Jul-2022 GDB_13 Smiles: CC1=CCC2=NC3(C)CC(C3)N12 RHF 6-31G(d) (6D,10F) C1 162.115699 |X|Y|Z| 35.858339 22.312700 12.592535
21.598246 10 6 7 8 2
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