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MUNgauss RevisionA2.1 retrievium 28-Jul-2022 GDB_13 Smiles: CC12NC3CC1C2C=CC3(C)C RHF 6-31G(d) (6D,10F) C1 163.136100 |X|Y|Z| 19.061089 19.701929 33.461546
23.248815 9 6 7 8 1
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