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MUNgauss RevisionA2.1 retrievium 28-Jul-2022 GDB_13 Smiles: CC1(C)C=CC2C3CC1CNC23 RHF 6-31G(d) (6D,10F) C1 163.136100 |X|Y|Z| 21.795656 19.298940 29.798324
23.229066 10 6 7 9 1
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