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MUNgauss RevisionA2.1 retrievium 07-Jan-2023 GDB_13 Smiles: CC1N=CNC2C3CC=NN3C12 RHF 6-31G(d) (6D,10F) C1 164.106196 |X|Y|Z| 28.511470 21.702381 17.467448
22.109834 11 6 7 7 4
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