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MUNgauss RevisionA2.1 retrievium 13-Jun-2022 GDB_13 Smiles: CC1CC=C2C(CC(N)C12)C=C RHF 6-31G(d) (6D,10F) C1 163.136100 |X|Y|Z| 25.198935 36.893978 14.199117
23.633770 8 6 8
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