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MUNgauss RevisionA2.1 retrievium 09-Apr-2022 GDB_13 Smiles: C1C2CN1CC1=CC=CN1C=C2 RHF 6-31G(d) (6D,10F) C1 160.100048 |X|Y|Z| 21.938060 33.222341 13.199772
21.268244 12 6 7 10 2
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