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MUNgauss RevisionA2.1 retrievium 03-Jul-2022 GDB_13 Smiles: C=C1CCC2N=C3CC=CN3C12 RHF 6-31G(d) (6D,10F) C1 160.100048 |X|Y|Z| 23.517571 34.289111 11.538842
21.033117 11 6 7 9 2
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