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0.02947 1.37089 0.64673 0.61409 66.82 116.19 148.98 185.74 236.89 349.85 351.82 363.80 410.67 458.91 511.48 527.97 624.65 705.02 747.88 769.40 848.63 861.31 975.19 1040.81 1098.70 1125.05 1137.67 1147.79 1245.20 1361.67 1402.83 1461.53 1547.87 1551.48 1559.24 1567.77 1590.17 1601.21 1654.56 1671.53 1688.73 1696.58 1730.14 1789.32 1835.29 1863.02 1917.21 2000.08 2057.90 2063.47 2091.98 2093.60 2104.92 2159.71 2177.84 2199.17 2254.85 2283.49 2297.94 2363.37 2370.37 2375.41 2386.43 2685.68 2691.24 3462.31 4577.85 4609.61 4646.35 4663.10 4672.12 4692.51 4705.98 4722.03 4733.02 4763.61 4794.26 4808.35 4819.78 4912.63 4914.87 5271.25 0.262804 0.274641 0.275586 0.225039 -463.356222 -463.344384 -463.343440 -463.393987 1.695355D-04 MUNgauss RevisionA2.1 retrievium 25-Mar-2022 GDB_13 Smiles: CC1CC(CC1(C=C)C=C)C#C RHF 6-31G(d) (6D,10F) C1 160.125201 |X|Y|Z| 20.251762 22.421615 35.860371 25.346315 5 6 5 |36.858105| |12.479437|36.858105| |7.416053|12.413592|36.858105| 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