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MUNgauss RevisionA2.1 retrievium 12-Jun-2022 GDB_13 Smiles: CC1C=CC2(C)CCN3CCC123 RHF 6-31G(d) (6D,10F) C1 163.136100 |X|Y|Z| 24.674351 26.694440 19.818483
23.545739 10 6 7 9 1
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