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MUNgauss RevisionA2.1 retrievium 03-Jan-2023 GDB_13 Smiles: CC1NC2CC1NC=NN=CC2 RHF 6-31G(d) (6D,10F) C1 166.121847 |X|Y|Z| 21.922731 17.789036 30.825814
22.908002 11 6 7 7 4
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