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MUNgauss RevisionA2.1 retrievium 01-Jan-2023 GDB_13 Smiles: CC1(N)C(N)C1C1C=NN2CC12 RHF 6-31G(d) (6D,10F) C1 166.121847 |X|Y|Z| 21.336609 16.484132 38.249628
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