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MUNgauss RevisionA2.1 retrievium 06-Apr-2022 GDB_13 Smiles: CC#CC12C=CC(CC1=C)C2=C RHF 6-31G(d) (6D,10F) C1 156.093900 |X|Y|Z| 21.997019 35.320558 17.227645
23.743192 7 6 7
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