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MUNgauss RevisionA2.1 retrievium 08-Sep-2022 GDB_13 Smiles: CC1N2C=CN=C2C2CNN=C12 RHF 6-31G(d) (6D,10F) C1 162.090546 |X|Y|Z| 32.579210 24.602111 10.694964
20.465895 11 6 7 7 4
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