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MUNgauss RevisionA2.1 retrievium 06-Jan-2023 GDB_13 Smiles: CC1N(CC2CC2)CC(=C)C1=C RHF 6-31G(d) (6D,10F) C1 163.136100 |X|Y|Z| 42.643996 23.983553 13.098095
23.749794 9 6 7 8 1
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