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MUNgauss RevisionA2.1 retrievium 13-Jun-2022 GDB_13 Smiles: CC1CCC2CCC(NC12)C#C RHF 6-31G(d) (6D,10F) C1 163.136100 |X|Y|Z| 35.918258 22.516104 17.984567
24.410097 9 6 7 8 1
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