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MUNgauss RevisionA2.1 retrievium 15-Nov-2022 GDB_13 Smiles: CC1=C(C=N)C(=NC(=N)N1)C#N RHF 6-31G(d) (6D,10F) C1 161.070145 |X|Y|Z| 28.528997 33.196772 8.034103
19.668591 6 6 7 4 2
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