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MUNgauss RevisionA2.1 retrievium 08-Apr-2022 GDB_13 Smiles: C1C2CN1C1C=CN=CNC1=N2 RHF 6-31G(d) (6D,10F) C1 162.090546 |X|Y|Z| 20.563911 12.711626 33.730718
20.659072 12 6 7 8 4
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