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0.02206 0.98863 0.74976 0.45962 54.58 90.59 122.25 145.71 186.26 201.65 215.64 302.38 310.55 363.59 417.32 482.97 527.30 567.05 647.71 677.47 779.93 845.14 901.81 1082.60 1137.97 1151.90 1211.20 1263.87 1295.91 1368.82 1397.18 1449.54 1494.02 1505.10 1543.28 1562.86 1601.31 1636.85 1657.76 1690.79 1702.66 1715.81 1733.78 1743.30 1805.67 1816.21 1841.71 1891.97 1897.42 1941.31 1999.18 2048.74 2080.03 2093.02 2124.33 2164.09 2246.13 2256.14 2295.16 2323.99 2338.89 2357.46 2404.06 2699.37 2750.90 3464.40 4593.84 4610.04 4628.30 4661.05 4705.83 4746.05 4752.35 4753.99 4768.01 4775.96 4784.76 4810.35 4858.34 4880.88 4902.21 5272.15 0.259886 0.272868 0.273812 0.219821 -463.328490 -463.315508 -463.314564 -463.368555 1.810867D-04 MUNgauss RevisionA2.1 retrievium 06-Apr-2022 GDB_13 Smiles: CC=CC(C(C=C)C#C)C1CC1 RHF 6-31G(d) (6D,10F) C1 160.125201 |X|Y|Z| 37.060194 31.565910 12.862056 24.687596 3 6 3 |36.858105| |12.676658|36.858105| |7.601503|14.444950|36.858105| 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