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MUNgauss RevisionA2.1 retrievium 16-Nov-2022 GDB_13 Smiles: CC1=C2C=C(CC2=NN1)C1CC1 RHF 6-31G(d) (6D,10F) C1 160.100048 |X|Y|Z| 44.406917 19.981883 10.597854
21.107412 11 6 7 9 2
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