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MUNgauss RevisionA2.1 retrievium 16-Nov-2022 GDB_13 Smiles: CC1NC=NN=CN(C=C)C=C1 RHF 6-31G(d) (6D,10F) C1 164.106196 |X|Y|Z| 24.564262 33.532818 15.356804
23.300123 9 6 7 5 4
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