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MUNgauss RevisionA2.1 retrievium 17-Nov-2022 GDB_13 Smiles: CC1(N)C(=N)NN2C3CC=CC123 RHF 6-31G(d) (6D,10F) C1 164.106196 |X|Y|Z| 21.276887 32.714348 15.437539
22.066908 9 6 7 7 2
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