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MUNgauss RevisionA2.1 retrievium 21-Dec-2022 GDB_13 Smiles: CC1CN2N=CC=CC3CC3C12 RHF 6-31G(d) (6D,10F) C1 162.115699 |X|Y|Z| 23.721752 33.152679 14.288036
22.398175 11 6 7 9 2
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