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MUNgauss RevisionA2.1 retrievium 15-Nov-2022 GDB_13 Smiles: CC1=C(NC(=N)N1)C=CC1CN1 RHF 6-31G(d) (6D,10F) C1 164.106196 |X|Y|Z| 48.352962 23.881643 10.081599
22.664122 10 6 7 7 3
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