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MUNgauss RevisionA2.1 retrievium 09-Apr-2022 GDB_13 Smiles: C1C2CN1CC1=CN=CC=C1C2 RHF 6-31G(d) (6D,10F) C1 160.100048 |X|Y|Z| 21.671703 12.250984 35.221736
21.068078 12 6 7 10 2
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