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MUNgauss RevisionA2.1 retrievium 01-Jan-2023 GDB_13 Smiles: CC1(N)CN(C1)C1=CN=CC=N1 RHF 6-31G(d) (6D,10F) C1 164.106196 |X|Y|Z| 44.108871 17.720515 13.689391
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