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MUNgauss RevisionA2.1 retrievium 30-Sep-2022 GDB_13 Smiles: CC1CC2C=CCC(=C)C2=NN1 RHF 6-31G(d) (6D,10F) C1 162.115699 |X|Y|Z| 33.226919 23.565892 15.701816
23.080291 10 6 7 8 2
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