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MUNgauss RevisionA2.1 retrievium 07-Jan-2023 GDB_13 Smiles: CC1NCC2CC2CC=CC=C1 RHF 6-31G(d) (6D,10F) C1 163.136100 |X|Y|Z| 27.317037 34.597780 14.103373
23.710185 11 6 7 10 1
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