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MUNgauss RevisionA2.1 retrievium 02-Jan-2023 GDB_13 Smiles: CC1=NC2CC=NN=CCC2N1 RHF 6-31G(d) (6D,10F) C1 164.106196 |X|Y|Z| 22.201408 38.282614 10.778528
20.924120 11 6 7 7 4
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