Version2.0 2020-02-02T23:51:20Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 08-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)S(=O)(=O)CNC(=O)[C@@H](c2cccc(c2)O)N(C)C(=O)[C@@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C C36525517 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)S(=O)(=O)CNC(=O)[C@@H](c2cccc(c2)O)N(C)C(=O)[C@@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C C01[X(C28H36N2O5S1)] 210 C1 616 O=C([C@H](N(C(=O)[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C)C)c1cccc(c1)O)NCS(=O)(=O)c1ccc(cc1)C O=C([C@H](N(C(=O)[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C)C)c1cccc(c1)O)NCS(=O)(=O)c1ccc(cc1)C C[C@H]1[C@@H](C[C@@H]2C[C@H]1C2(C)C)C(=O)N(C)[C@@H](C(=O)NC[S](=O)(=O)c3ccc(C)cc3)c4cccc(O)c4 InChIKey=ZJDKYIBQDNGVFO-DWIRUQBJSA-N InChI=1S/C28H36N2O5S/c1-17-9-11-22(12-10-17)36(34,35)16-29-26(32)25(19-7-6-8-21(31)13-19)30(5)27(33)23-14-20-15-24(18(23)2)28(20,3)4/h6-13,18,20,23-25,31H,14-16H2,1-5H3,(H,29,32)/t18-,20+,23+,24+,25+/m0/s1 InChI=1/C28H36N2O5S/c1-17-9-11-22(12-10-17)36(34,35)16-29-26(32)25(19-7-6-8-21(31)13-19)30(5)27(33)23-14-20-15-24(18(23)2)28(20,3)4/h6-13,18,20,23-25,31H,14-16H2,1-5H3,(H,29,32)/t18-,20+,23+,24+,25+/m0/s1/f/h29H Cc1ccc(cc1)S(=O)(=O)CNC(=O)[C@@H](c2cccc(c2)O)N(C)C(=O)[C@@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C C01[X(C28H36N2O5S1)] 210 C01 616 O=C([C@H](N(C(=O)[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C)C)c1cccc(c1)O)NCS(=O)(=O)c1ccc(cc1)C O=C([C@H](N(C(=O)[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C)C)c1cccc(c1)O)NCS(c1ccc(cc1)C)(O)O C[C@H]1[C@@H](C[C@@H]2C[C@H]1C2(C)C)C(=O)N(C)[C@@H](C(=O)NC[S](O)(O)c3ccc(C)cc3)c4cccc(O)c4 InChIKey=GHFBDVTXLVRMJA-DWIRUQBJSA-N InChI=1S/C28H38N2O5S/c1-17-9-11-22(12-10-17)36(34,35)16-29-26(32)25(19-7-6-8-21(31)13-19)30(5)27(33)23-14-20-15-24(18(23)2)28(20,3)4/h6-13,18,20,23-25,31,34-35H,14-16H2,1-5H3,(H,29,32)/t18-,20+,23+,24+,25+/m0/s1 InChI=1/C28H38N2O5S/c1-17-9-11-22(12-10-17)36(34,35)16-29-26(32)25(19-7-6-8-21(31)13-19)30(5)27(33)23-14-20-15-24(18(23)2)28(20,3)4/h6-13,18,20,23-25,31,34-35H,14-16H2,1-5H3,(H,29,32)/t18-,20+,23+,24+,25+/m0/s1/f/h29H 4218.2501625250 -1961.9206154 1-A 24691.1155 137 479 616 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.18027 -20.60202 -20.54851 -20.54762 -20.54343 -20.52628 -15.61108 -15.59342 -11.36349 -11.34645 -11.31066 -11.30741 -11.28918 -11.27318 -11.27184 -11.26642 -11.26548 -11.26103 -11.25569 -11.25189 -11.25137 -11.24513 -11.24157 -11.23972 -11.23691 -11.23421 -11.23123 -11.23054 -11.23032 -11.22328 -11.22107 -11.21883 -11.20904 -11.20869 -11.20652 -11.20623 -9.15746 -6.84347 -6.84250 -6.84215 -1.45958 -1.42114 -1.41503 -1.39464 -1.34291 -1.26355 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.09566 0.11779 0.12230 0.14917 0.18351 0.19120 0.20562 0.21328 0.21476 0.22264 0.24168 0.24484 0.24700 0.25413 0.25676 0.26195 0.26339 0.26616 0.27424 0.27930 0.28375 0.28784 0.29340 0.29501 0.29594 0.30123 0.30608 0.30983 0.31454 0.31701 0.31970 0.32189 0.32558 0.32823 0.33068 0.33480 0.34014 0.34095 0.34302 0.34702 0.35104 0.35389 0.36104 0.36574 0.36896 0.37199 0.37815 0.38101 0.38196 0.38651 0.39287 0.39771 0.40300 0.40808 0.41370 0.43053 0.43334 0.44578 0.45250 0.45313 0.45938 0.46341 0.46517 0.46914 0.47185 0.48282 0.48579 0.50057 0.50504 0.50667 0.51710 0.53394 0.53870 0.54228 0.55076 0.55482 0.56542 0.57981 0.58844 0.60949 0.62305 0.62954 0.65062 0.65916 0.68345 0.69223 0.69508 0.69775 0.70693 0.71045 0.71368 0.71877 0.72179 0.73168 0.74033 0.74128 0.74749 0.75252 0.76478 0.77542 0.78112 0.78297 0.78521 0.79049 0.79231 0.79964 0.80313 0.80674 0.80896 0.82143 0.82620 0.82809 0.83012 0.84153 0.85135 0.85490 0.85515 0.86270 0.86652 0.87530 0.88226 0.88713 0.88959 0.89650 0.89815 0.90467 0.91211 0.91400 0.92308 0.92506 0.93871 0.94371 0.95110 0.95595 0.95950 0.96716 0.97497 0.97839 0.98393 0.98681 0.99132 0.99573 0.99870 1.00358 1.00594 1.01570 1.02133 1.02960 1.03363 1.03804 1.04898 1.05036 1.05967 1.06110 1.06273 1.07964 1.08012 1.09131 1.09709 1.10277 1.10412 1.10604 1.10998 1.11344 1.12139 1.12588 1.13015 1.13567 1.13655 1.14360 1.14845 1.14962 1.15112 1.15412 1.15789 1.15934 1.16491 1.16693 1.17198 1.17701 1.17826 1.18324 1.18738 1.19504 1.19547 1.19906 1.20295 1.20397 1.20633 1.21055 1.21555 1.22166 1.22379 1.22443 1.22995 1.23053 1.23678 1.24724 1.25203 1.25395 1.25600 1.26367 1.27078 1.27171 1.27734 1.28659 1.29072 1.30325 1.30483 1.30659 1.31835 1.32655 1.32835 1.33992 1.34648 1.35306 1.36005 1.37286 1.37476 1.38270 1.39038 1.40170 1.40722 1.42015 1.42255 1.42765 1.43626 1.44586 1.45353 1.45943 1.47288 1.48233 1.48810 1.49262 1.49943 1.51461 1.52032 1.53003 1.54525 1.55040 1.56415 1.57590 1.58363 1.59939 1.60152 1.60821 1.61700 1.62599 1.62636 1.64221 1.65275 1.66887 1.67544 1.67974 1.68598 1.69401 1.70212 1.71657 1.72412 1.73097 1.73556 1.74944 1.75355 1.75702 1.75941 1.76764 1.78239 1.79195 1.80011 1.80988 1.81634 1.83854 1.85763 1.86869 1.88371 1.89704 1.92395 1.93168 1.95071 1.96905 1.98307 1.99610 2.00345 2.00973 2.01534 2.02520 2.03497 2.03618 2.05418 2.05953 2.06159 2.07053 2.07339 2.08249 2.08948 2.09951 2.10111 2.11083 2.11548 2.12087 2.12273 2.12972 2.13992 2.14715 2.15770 2.15986 2.16966 2.17905 2.18768 2.19566 2.20241 2.20805 2.21520 2.21884 2.22715 2.23667 2.24087 2.24728 2.25273 2.26526 2.26775 2.27594 2.28230 2.28919 2.29308 2.30212 2.30981 2.31697 2.32050 2.32481 2.32611 2.34917 2.36781 2.37013 2.37274 2.38257 2.39427 2.39908 2.40461 2.41033 2.41499 2.42298 2.42684 2.43200 2.43445 2.43867 2.44314 2.44990 2.45979 2.47142 2.47553 2.49431 2.49564 2.49947 2.50283 2.51444 2.51786 2.51989 2.53303 2.55131 2.56069 2.56513 2.57368 2.58094 2.58298 2.58834 2.59821 2.60432 2.61348 2.62197 2.62665 2.63867 2.64413 2.64774 2.65837 2.67149 2.67710 2.68336 2.69827 2.70353 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934.63 977.92 982.07 994.01 1000.66 1061.94 1105.25 1127.42 1142.57 1160.16 1183.60 1224.44 1228.56 1270.81 1278.45 1294.49 1318.04 1329.08 1337.67 1362.54 1364.86 1383.35 1404.26 1413.88 1422.22 1464.64 1479.54 1485.48 1503.46 1512.56 1529.23 1559.88 1576.74 1578.41 1586.03 1586.77 1602.58 1609.56 1610.59 1612.54 1620.34 1626.19 1638.79 1683.16 1687.68 1707.85 1713.65 1726.48 1729.30 1731.13 1749.90 1760.22 1794.57 1800.89 1806.46 1825.08 1843.34 1859.11 1879.53 1885.36 1887.92 1895.99 1908.78 1920.75 1925.87 1942.17 1966.40 1973.27 1979.99 1991.25 2023.67 2049.12 2056.65 2063.29 2067.96 2077.41 2091.21 2099.04 2108.60 2134.01 2141.52 2151.97 2164.98 2189.27 2203.06 2242.14 2243.76 2252.21 2254.67 2255.70 2267.85 2288.09 2295.43 2341.31 2343.22 2349.19 2352.21 2353.67 2354.35 2366.68 2368.87 2372.37 2381.07 2384.24 2395.77 2397.05 2411.32 2411.95 2421.63 2463.31 2540.25 2591.01 2598.79 2607.49 2739.95 2845.51 4598.73 4604.13 4611.09 4611.78 4616.79 4634.96 4638.85 4661.27 4666.41 4668.26 4674.90 4681.72 4683.97 4697.55 4701.13 4708.77 4723.97 4728.27 4733.75 4759.13 4761.35 4762.33 4768.58 4791.08 4807.82 4823.23 4836.88 4845.03 4850.81 4853.99 4886.69 4897.93 4900.68 4913.42 5589.72 5920.52 0.650580 0.684353 0.685297 0.579152 -1961.270036 -1961.236263 -1961.235319 -1961.341463 3.560087D-04 MUNgauss RevisionA2.0 retrievium 02-Feb-2020 DUDE Cc1ccc(cc1)S(=O)(=O)CNC(=O)[C@@H](c2cccc(c2)O)N(C)C(=O)[C@@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C C36525517 RHF 6-31G(d) (6D,10F) C1 512.234494 |X|Y|Z| 136.374306 62.854942 46.285688 73.480635 26 6 7 16 23 2 1 |36.858105| |12.616773|36.858105| |7.559517|13.675134|36.858105| |5.018515|7.890088|13.791966|36.858105| |4.441059|6.852993|7.965930|13.716671|36.858105| |5.012098|7.888038|6.871278|7.902090|13.739945|36.858105| |7.550306|13.704631|7.956901|6.873223|7.965656|13.759084|36.858105| |3.144361|4.188006|4.740011|6.967337|10.768892|6.956815|4.734024|388.023441| |2.862917|3.673568|3.833339|4.957214|7.317855|6.438290|4.399615|94.295224|73.516695| |2.864559|3.673927|4.404547|6.439473|7.305877|4.953006|3.830809|94.208821|13.546025|73.516695| |2.827372|3.602090|4.000513|5.323040|6.739762|5.257940|3.971521|75.195803|12.859553|13.098911|36.858105| |2.855565|3.582515|3.712162|4.536035|5.849820|5.407921|4.142026|50.082372|11.112527|8.800754|13.376328|53.358707| |2.435498|2.930272|2.961578|3.462571|4.291049|4.216152|3.388590|37.132994|9.575062|7.085838|7.807338|19.032208|36.858105| |2.162473|2.565428|2.632298|3.089976|3.733811|3.564895|2.904758|34.445726|9.183175|6.983093|6.861002|11.539606|15.931239|73.516695| |2.388933|2.791570|2.708801|3.006083|3.625725|3.843695|3.268135|27.957135|7.380762|5.540804|5.029876|10.648819|12.440947|14.114978|36.858105| |2.537830|2.948411|2.844071|3.098245|3.646371|3.882379|3.408803|26.563793|6.650463|5.333940|4.846459|10.262581|8.998288|10.731938|17.672479|0.500000| |2.502680|2.913548|2.723883|2.965773|3.660778|4.180707|3.564348|27.037372|7.642603|5.289656|4.258839|8.127306|7.485353|10.163882|12.479850|0.250146|36.858105| |2.533513|2.994387|2.801005|3.101661|3.968000|4.610778|3.753426|30.280299|9.490503|5.789816|4.330079|7.588092|6.551697|9.836982|7.439263|0.160704|13.766368|36.858105| |2.516621|2.902713|2.642196|2.836458|3.539988|4.275664|3.672004|25.563198|7.964871|5.087884|3.425441|5.559484|4.439306|7.049345|4.978674|0.119301|7.941930|13.672085|36.858105| |2.467870|2.749110|2.451158|2.545342|3.055113|3.711661|3.424841|21.114909|6.159901|4.334640|2.900649|4.705390|3.705395|5.847379|4.417515|0.112095|6.834210|7.892986|13.833453|36.858105| |2.438372|2.685210|2.398407|2.468239|2.907675|3.474992|3.277969|19.920081|5.557776|4.112307|2.880174|4.829868|3.857184|5.920072|5.037607|0.132937|7.904906|6.859055|7.978231|13.691361|36.858105| |2.456080|2.759263|2.515815|2.636582|3.130460|3.649585|3.339033|21.902896|6.000765|4.452921|3.354079|5.981320|5.004877|7.288176|7.633378|0.199933|13.660108|7.937031|6.911769|7.929349|13.794805|36.858105| |2.297523|2.445623|2.172597|2.187737|2.497474|2.943024|2.898893|16.851172|4.586620|3.574026|2.430848|3.954911|3.091003|4.851980|3.895128|0.107581|5.202735|4.614903|5.288624|8.130585|14.097336|7.951611|73.516695| |2.028368|2.304818|2.255751|2.470348|2.866028|2.975484|2.617199|22.351995|5.898030|4.683127|3.925063|7.147372|7.758805|12.212118|13.095376|0.260592|7.666788|5.426563|4.068079|3.772580|4.341335|6.123936|6.336727|53.358707| |1.834632|2.070099|2.028758|2.224380|2.579387|2.672747|2.348407|20.584792|5.651708|4.392591|3.418339|5.747376|5.989201|11.170866|7.583716|0.157272|6.366429|5.281310|4.111605|3.740793|4.081733|5.209529|5.994584|17.764192|36.858105| |1.928898|2.163042|2.139610|2.320355|2.606958|2.653691|2.390263|20.002468|5.059819|4.320017|3.585254|6.241704|5.985360|9.718400|7.961713|0.219177|5.217439|3.981312|3.192743|3.054257|3.523941|4.682492|5.466149|18.967187|7.673619|36.858105| |2.060153|2.311553|2.298265|2.479782|2.745080|2.770790|2.522325|20.561263|5.018451|4.449767|3.789469|6.661110|5.795538|8.846066|7.216153|0.242655|4.765567|3.670558|2.980939|2.872690|3.320946|4.367404|5.228983|11.571869|5.328470|15.787443|73.516695| |1.672297|1.843484|1.828943|1.965434|2.168120|2.195223|2.008162|16.651168|4.237014|3.707247|2.865681|4.641343|4.214013|7.457919|5.009314|0.134977|3.884337|3.187063|2.689109|2.613238|2.963438|3.671769|4.778759|10.440836|6.563856|12.476640|14.215970|36.858105| |1.604964|1.774135|1.764007|1.908107|2.118389|2.139298|1.940219|16.574679|4.292741|3.703961|2.811538|4.474460|4.156146|7.767280|4.755931|0.120564|3.816105|3.237668|2.733398|2.617877|2.901286|3.523320|4.635820|10.029940|7.826569|8.945954|10.603910|17.685016|0.500000| |1.610658|1.746899|1.706825|1.800548|1.973902|2.038497|1.903722|14.733595|3.774764|3.285335|2.440762|3.930156|3.419869|5.870387|4.233104|0.117742|3.610811|2.950361|2.590442|2.620298|3.056305|3.703037|5.125655|8.014103|5.324984|7.605177|10.589125|12.137933|0.245916|36.858105| |1.472350|1.577036|1.548346|1.619533|1.743786|1.786157|1.690861|12.906171|3.264431|2.931704|2.115334|3.303466|2.760608|4.785220|3.226775|0.091813|2.822022|2.391714|2.150069|2.185319|2.502637|2.908963|4.314685|5.538071|3.774151|5.109796|8.181915|7.369763|0.165793|12.444769|36.858105| |1.425985|1.514074|1.476133|1.531152|1.644220|1.697953|1.622688|12.037252|3.056918|2.737674|1.938157|3.012860|2.484084|4.278839|2.914210|0.083096|2.643859|2.258365|2.070345|2.139491|2.462137|2.798857|4.346378|4.834139|3.356200|4.191229|6.849831|5.403994|0.130222|8.802167|17.533187|0.500000| |1.514739|1.621340|1.605056|1.676597|1.783950|1.807109|1.717609|13.130451|3.253957|3.001990|2.188450|3.395796|2.768918|4.749522|3.152770|0.092904|2.680830|2.274404|2.028947|2.044542|2.327755|2.721701|3.994773|5.177098|3.342720|5.043472|9.020507|6.553441|0.139974|7.661983|12.355323|0.232891|36.858105| |1.450211|1.565398|1.567331|1.658340|1.768492|1.766908|1.657311|13.326557|3.308862|3.074134|2.239963|3.417998|2.834630|5.043808|3.101477|0.088220|2.596396|2.247354|1.985957|1.960635|2.182366|2.543234|3.678468|5.217039|3.508668|5.079427|8.585371|7.447066|0.168088|6.821925|9.043905|0.170782|12.320675|36.858105| |1.386677|1.492400|1.505188|1.591871|1.680677|1.663916|1.565185|12.676126|3.120185|2.962083|2.124309|3.173865|2.580787|4.629965|2.737289|0.078004|2.312633|2.037252|1.811225|1.780451|1.957657|2.251260|3.308528|4.431308|3.011890|4.144589|7.283321|5.441805|0.131892|4.911907|6.169214|0.132887|8.399008|17.536633|0.500000| |1.580551|1.733387|1.745128|1.874624|2.024949|2.008678|1.850833|15.567994|3.864569|3.552523|2.702244|4.194587|3.606941|6.504209|3.908093|0.109342|3.086431|2.636466|2.261167|2.187780|2.428311|2.909873|3.979811|6.928633|4.481238|7.483431|11.906363|12.210042|0.247309|7.228653|6.733962|0.135206|7.685032|12.400762|0.244191|36.858105| |1.678614|1.846201|1.868719|2.008216|2.154754|2.122241|1.958818|16.440915|4.002197|3.748532|2.920238|4.554479|3.814503|6.681985|4.072126|0.118874|3.134616|2.656524|2.263772|2.186423|2.433766|2.941075|3.980091|6.806048|4.113919|7.627723|14.630710|8.873684|0.181154|5.960212|5.588371|0.118974|7.240076|9.065386|0.212124|17.614080|0.500000| |1.499774|1.653140|1.684700|1.831270|1.975579|1.927630|1.758120|15.599376|3.878748|3.621765|2.704174|4.039019|3.480107|6.675688|3.503795|0.094315|2.813481|2.501429|2.146197|2.036084|2.196495|2.578800|3.571324|5.984028|4.211614|5.574602|8.828658|7.458344|0.211151|4.936250|4.639538|0.102248|4.901990|7.404203|0.193328|12.432293|0.250108|36.858105| |1.358793|1.458075|1.447335|1.524017|1.632790|1.649446|1.552604|12.273063|3.099735|2.828185|2.009631|3.061564|2.556327|4.578463|2.844796|0.079135|2.482281|2.169231|1.950900|1.948177|2.168213|2.479624|3.702798|4.831945|3.459702|4.346443|6.939298|6.473042|0.164095|7.431503|12.255008|0.233040|8.850458|12.183904|0.233213|7.266489|0.152773|5.545894|36.858105| |1.245097|1.322480|1.313167|1.371686|1.453702|1.467139|1.395541|10.824602|2.721811|2.521738|1.744271|2.612942|2.128229|3.800960|2.329426|0.065359|2.084838|1.853936|1.697404|1.706909|1.884013|2.104720|3.271287|3.771799|2.712469|3.255571|5.439404|4.273399|0.111365|4.867183|7.441799|0.190726|6.645685|7.459287|0.193248|4.828626|0.113823|4.106851|12.397789|36.858105| |1.307666|1.409013|1.400320|1.484052|1.601088|1.615690|1.508357|12.210454|3.127955|2.819876|1.978137|2.987899|2.535114|4.667004|2.780173|0.074751|2.464374|2.197004|1.981031|1.959335|2.144543|2.425134|3.629599|4.784533|3.697241|4.035363|6.154616|5.952179|0.179510|6.242049|7.157472|0.163643|5.318995|7.039282|0.160469|5.995986|0.125319|5.536401|12.443523|7.740179|36.858105| |17.537883|8.874048|6.404955|4.503616|3.995432|4.415722|6.167487|20.815139|4.812411|4.851243|2.571293|3.480443|2.215896|3.554292|2.162084|0.062843|2.279028|2.345409|2.364566|2.313001|2.248171|2.233549|3.784971|2.530324|1.706506|1.763133|3.312552|1.545583|0.041485|1.490863|1.367762|0.036884|1.400250|1.347653|0.035886|1.463352|0.042899|1.398726|1.269990|1.168455|1.229168|0.500000| |17.584361|8.838539|5.608976|4.183914|3.970469|4.724001|7.163722|20.716944|4.850224|4.635112|2.677182|3.793623|2.419088|3.793904|2.436186|0.072326|2.596434|2.601654|2.623870|2.637039|2.630464|2.611675|4.470174|2.817294|1.868108|1.963500|3.721289|1.701688|0.045234|1.657619|1.512739|0.040911|1.549431|1.470582|0.038880|1.595551|0.046948|1.500843|1.384785|1.269136|1.329502|0.301939|0.500000| |17.572033|8.843026|7.023785|4.687801|3.973005|4.214378|5.686729|20.736507|4.639716|4.827357|2.707593|3.694874|2.315646|3.670504|2.266850|0.067539|2.321905|2.312736|2.266200|2.228188|2.235742|2.282257|3.774018|2.649135|1.751869|1.879371|3.603549|1.636914|0.043429|1.575609|1.452689|0.039054|1.508335|1.441502|0.038474|1.564041|0.046401|1.482616|1.343254|1.236120|1.285447|0.302125|0.301365|0.500000| |7.016582|8.900778|17.711171|8.959448|5.662110|4.950671|5.651602|27.871545|5.725597|6.867595|3.448040|4.327246|2.600108|4.175859|2.394145|0.070002|2.380891|2.424512|2.300023|2.159928|2.128453|2.226295|3.480563|2.775176|1.842791|1.962086|3.756893|1.699737|0.045487|1.591441|1.459902|0.038733|1.521752|1.486494|0.039914|1.641059|0.048872|1.588527|1.371254|1.253365|1.323397|0.174445|0.142048|0.208264|0.500000| |4.090617|5.621413|8.909055|17.744494|8.910627|5.634938|4.954494|47.341941|8.148543|13.152680|5.278974|5.730731|3.269584|5.338499|2.785186|0.079217|2.684501|2.794501|2.540482|2.279676|2.218553|2.380736|3.518216|3.185990|2.123509|2.226170|4.229028|1.906647|0.051579|1.732590|1.569953|0.041092|1.633803|1.631360|0.043824|1.844810|0.054985|1.824482|1.492515|1.347270|1.455863|0.105312|0.096292|0.110903|0.215482|0.500000| |4.086460|5.622909|4.954048|5.633467|8.915149|17.752971|8.901591|47.173963|13.118280|8.132181|5.167628|7.742519|4.688052|6.981992|4.350088|0.117426|5.074634|6.040783|5.601634|4.574326|4.108049|4.275025|5.929073|4.477853|2.990005|2.835998|5.146045|2.330469|0.063622|2.166536|1.871259|0.049429|1.867248|1.828900|0.047469|2.090788|0.060731|2.004388|1.721779|1.520812|1.699722|0.102779|0.112141|0.097151|0.107536|0.124093|0.500000| |6.995651|8.908216|5.650028|4.952021|5.664392|8.954084|17.715623|27.840874|6.860126|5.722612|3.416707|5.023130|3.164387|4.835455|3.187965|0.092355|3.615995|3.794182|3.893771|3.787188|3.607765|3.534387|5.753566|3.509325|2.327696|2.342037|4.356052|1.979599|0.053113|1.907728|1.692547|0.045472|1.704910|1.631291|0.042608|1.806992|0.052774|1.703058|1.542589|1.389388|1.498523|0.163612|0.217012|0.144786|0.124105|0.107549|0.215529|0.500000| |2.446507|3.013885|3.318434|4.247931|5.094256|4.179525|3.284646|58.144259|11.732871|12.180504|17.644898|12.614378|7.541926|14.322141|4.717643|0.121145|3.935462|4.046932|3.211482|2.709581|2.676588|3.100686|4.038031|5.341826|3.544960|3.593917|6.553247|2.939578|0.081738|2.452229|2.127669|0.053798|2.190891|2.293555|0.060694|2.800826|0.083109|2.898160|2.057229|1.778836|2.052159|0.062835|0.064715|0.065404|0.081831|0.121317|0.117711|0.080703|0.500000| |2.921637|3.709389|4.312521|5.790762|6.426458|4.833770|3.872359|57.576252|9.647380|12.343563|17.610149|12.418147|5.888876|9.312416|4.269903|0.120961|3.620912|3.573279|2.944024|2.578736|2.597449|2.996083|3.991196|4.713973|2.989032|3.318216|6.456476|2.694369|0.072329|2.312808|2.042998|0.052050|2.152789|2.192804|0.058417|2.613728|0.079844|2.604394|1.945138|1.704727|1.890782|0.073212|0.075740|0.079477|0.105394|0.168718|0.124165|0.091385|0.299810|0.500000| |3.206083|4.065735|4.100922|4.833862|6.145060|6.055103|4.764356|43.490925|9.536065|7.862481|9.106691|26.072055|9.338460|10.863097|7.509894|0.234338|6.064023|5.356923|4.076978|3.579621|3.772407|4.714226|5.524155|6.723895|3.868850|4.436778|8.803551|3.284463|0.085974|2.868841|2.425647|0.061973|2.513051|2.465500|0.063469|2.965847|0.090421|2.773866|2.208745|1.897992|2.122779|0.077896|0.087713|0.084616|0.096148|0.119608|0.170853|0.117424|0.180038|0.219029|0.500000| |2.481681|2.982398|2.874641|3.293586|4.311717|4.736651|3.681494|36.151365|12.432895|6.720450|5.058487|8.496832|7.437168|11.934563|6.805407|0.145581|8.874145|17.744730|8.923308|5.642986|4.947194|5.630538|6.511732|6.941166|5.110611|3.822926|6.284620|3.090679|0.088520|2.772370|2.275793|0.059156|2.186082|2.203598|0.056014|2.614195|0.073290|2.549221|2.108412|1.804201|2.153603|0.064268|0.069371|0.063166|0.068997|0.083530|0.170948|0.099531|0.134808|0.110558|0.153112|0.500000| |2.452899|2.827328|2.592331|2.795601|3.483335|4.149440|3.547463|25.509750|8.263365|5.158517|3.243863|4.990646|3.886059|6.430513|4.059854|0.098751|5.655381|8.921842|17.719820|8.965498|5.664189|4.972296|7.584510|4.672285|3.555204|2.775296|4.633011|2.393634|0.068207|2.294306|1.939419|0.051961|1.837231|1.815630|0.046429|2.054052|0.057015|1.983015|1.787395|1.570137|1.828518|0.065144|0.070301|0.061030|0.062843|0.069922|0.150013|0.103636|0.085552|0.077594|0.099871|0.216588|0.500000| |2.373755|2.586152|2.292138|2.345408|2.758430|3.329978|3.172252|18.849737|5.449986|3.960681|2.538969|3.984408|3.077583|4.970914|3.537119|0.091754|4.933570|5.611169|8.877659|17.737607|8.937753|5.655891|13.291303|4.258977|3.147957|2.620558|4.415058|2.303108|0.064242|2.335891|1.989559|0.054650|1.861099|1.783841|0.045301|1.960516|0.054293|1.835530|1.786141|1.585744|1.800424|0.062686|0.070901|0.059351|0.056622|0.058569|0.110753|0.099050|0.066290|0.063620|0.084081|0.123889|0.213998|0.500000| |2.354769|2.601313|2.388659|2.476922|2.860487|3.252965|3.053854|19.889257|5.264116|4.128106|3.134398|5.554834|4.606869|6.752216|7.159787|0.212602|8.890428|5.644685|4.968980|5.638633|8.930227|17.677853|12.769961|8.632710|5.031335|5.235196|8.851019|4.065798|0.104175|4.281836|3.311908|0.088867|3.098043|2.802605|0.068040|3.174882|0.089684|2.714749|2.722980|2.296219|2.597298|0.059170|0.069746|0.061740|0.059459|0.062689|0.101369|0.089183|0.080785|0.079748|0.123591|0.123768|0.107799|0.124369|0.500000| |2.232900|2.362088|2.113817|2.123056|2.395237|2.777880|2.751006|16.179099|4.323938|3.453160|2.386277|3.907102|3.063069|4.787609|3.943390|0.112248|4.972519|4.165747|4.440579|6.050233|9.995099|7.786772|35.758429|5.031270|3.406047|3.269935|5.600772|2.864990|0.075892|3.156305|2.652757|0.074885|2.449386|2.211729|0.054891|2.372542|0.066033|2.090817|2.228805|1.965919|2.153341|0.057103|0.067856|0.058020|0.053258|0.053627|0.085730|0.084238|0.061986|0.061806|0.085906|0.093887|0.101114|0.152116|0.230890|0.500000| |1.908611|2.167150|2.105969|2.315913|2.736294|2.883543|2.501495|21.937703|6.276850|4.602519|3.499350|5.873025|6.051609|11.142363|7.475942|0.149403|7.603545|6.837813|5.147120|4.466738|4.671447|5.816110|6.554690|12.509742|17.691072|5.696562|7.859711|4.819703|0.151022|4.230802|3.171387|0.080784|2.847643|2.933456|0.071552|3.589239|0.094135|3.437586|2.913149|2.368539|3.102250|0.049497|0.054074|0.050099|0.052702|0.060871|0.091991|0.069284|0.099895|0.083314|0.109444|0.180960|0.121561|0.101939|0.142993|0.100128|0.500000| |1.743072|1.970388|1.961192|2.172164|2.499347|2.525010|2.206757|20.535081|5.602429|4.468600|3.449556|5.547841|5.745378|12.168768|6.112265|0.132775|5.005312|4.503528|3.572827|3.193397|3.363538|4.096420|5.055451|12.255717|17.617047|6.731695|8.676277|6.312421|0.229549|4.743406|3.559627|0.086755|3.216186|3.547080|0.086055|4.655917|0.116604|4.771874|3.454280|2.709675|3.811878|0.045259|0.048840|0.046444|0.049767|0.058421|0.077456|0.060037|0.103354|0.083739|0.100638|0.129487|0.089241|0.076467|0.110107|0.079374|0.303507|0.500000| |1.711180|1.900690|1.850768|1.998528|2.280927|2.381259|2.139372|17.765020|4.835337|3.857333|2.877597|4.712644|4.533695|8.247897|5.745767|0.131693|5.263092|4.411057|3.700516|3.543516|3.951140|4.850283|6.046167|12.328129|17.609922|6.769809|8.505373|6.853590|0.235933|6.277672|4.256355|0.106353|3.539839|3.676651|0.086044|4.482415|0.110135|4.087800|3.834306|2.963210|4.208541|0.044364|0.048698|0.045516|0.047062|0.053030|0.073349|0.059572|0.082108|0.071594|0.090880|0.115039|0.089558|0.084622|0.135643|0.096922|0.303781|0.298757|0.500000| |1.726562|1.868140|1.806726|1.891120|2.077238|2.173762|2.046275|15.215781|3.886997|3.357637|2.514974|4.130497|3.541534|5.841946|4.609408|0.134017|3.978373|3.138932|2.762571|2.851400|3.443996|4.275946|5.832952|8.329789|5.081253|7.711403|11.587256|8.680314|0.180636|17.544288|8.952273|0.214555|6.877297|5.444678|0.116227|5.792694|0.149237|4.112388|5.491681|4.069159|4.626548|0.044114|0.049734|0.046867|0.046629|0.050093|0.064221|0.057365|0.068831|0.066355|0.085780|0.080093|0.066958|0.070091|0.145956|0.102511|0.116735|0.120186|0.160055|0.500000| |1.553824|1.683184|1.637571|1.727851|1.905065|1.980088|1.845618|14.283868|3.722055|3.184466|2.317984|3.703594|3.248891|5.672078|4.009562|0.107125|3.601253|2.997680|2.671612|2.718036|3.149946|3.727646|5.299666|7.573760|5.694259|6.160799|8.468071|8.736460|0.234302|17.545050|8.803389|0.213778|5.534438|5.309270|0.113677|5.575941|0.128432|4.349566|6.437354|4.484656|6.427246|0.040185|0.044494|0.041977|0.042342|0.046107|0.059020|0.051677|0.065027|0.060376|0.074508|0.077813|0.065847|0.067593|0.116677|0.089877|0.126606|0.138148|0.209293|0.304299|0.500000| |1.648308|1.769792|1.749273|1.824760|1.942212|1.971004|1.875944|14.169234|3.480966|3.213159|2.394133|3.776093|3.051685|5.103122|3.530693|0.107898|2.936236|2.443654|2.158772|2.176541|2.506580|2.987381|4.277338|5.685656|3.468705|5.782054|11.328960|6.618507|0.135416|7.234556|8.470796|0.181522|17.571016|8.472786|0.181631|7.331629|0.224607|4.649582|6.109119|4.822169|4.307302|0.042012|0.046906|0.045685|0.045942|0.049187|0.056371|0.051628|0.065744|0.065784|0.078732|0.064905|0.053876|0.054615|0.096205|0.073339|0.082401|0.091179|0.099360|0.207295|0.143014|0.500000| |1.437675|1.524195|1.508806|1.563823|1.647655|1.668114|1.601179|12.021306|2.967597|2.772484|1.976516|3.020844|2.413078|4.142272|2.703280|0.079854|2.356241|2.030566|1.838066|1.863196|2.107691|2.413613|3.669912|4.277115|2.815597|3.945895|7.210290|4.783083|0.109717|5.544383|8.618960|0.206855|17.624528|8.587400|0.207295|5.559849|0.151284|4.032975|7.226758|6.946416|4.574799|0.037010|0.040876|0.039951|0.040002|0.042423|0.047577|0.044233|0.054796|0.054473|0.062453|0.054274|0.046573|0.047606|0.075760|0.062471|0.068300|0.075629|0.082582|0.145582|0.122783|0.300783|0.500000| |1.411246|1.548958|1.571429|1.703029|1.841444|1.807941|1.651956|14.553058|3.674855|3.389678|2.456284|3.643143|3.150052|6.121893|3.201875|0.084583|2.662563|2.402402|2.087736|1.985505|2.127286|2.460152|3.475906|5.503873|4.161983|4.791865|7.330819|6.656316|0.214907|4.795066|4.563545|0.102363|4.442040|6.606291|0.171199|8.690958|0.173838|17.566770|5.856377|4.321837|6.785622|0.036761|0.039308|0.038619|0.041179|0.047061|0.052533|0.044696|0.073298|0.065124|0.069487|0.067932|0.053895|0.050021|0.071363|0.056314|0.094740|0.133506|0.116328|0.107947|0.124400|0.112583|0.103857|0.500000| |1.583328|1.765533|1.811274|1.995994|2.172582|2.098193|1.885844|17.558290|4.361653|4.062320|3.120428|4.642592|4.098335|8.199461|3.928357|0.103268|3.067316|2.748122|2.312367|2.153160|2.299220|2.722027|3.675306|6.649614|4.670652|5.957191|9.341113|6.867674|0.203463|4.447903|3.937300|0.089642|4.100133|5.429817|0.141510|8.778704|0.215368|17.528303|4.354988|3.360964|4.458482|0.040983|0.043799|0.043341|0.047186|0.055419|0.060766|0.050356|0.095136|0.082450|0.086263|0.079278|0.059426|0.053529|0.078247|0.059234|0.105686|0.154554|0.118865|0.107238|0.111469|0.113667|0.095208|0.301727|0.500000| |1.442795|1.582545|1.623945|1.759903|1.872344|1.811606|1.663890|14.701411|3.605636|3.468390|2.534512|3.694658|3.068213|5.829322|3.029603|0.083145|2.478061|2.231458|1.937779|1.843792|1.977677|2.290326|3.245328|4.902615|3.416856|4.447658|7.568453|5.444659|0.148046|4.048010|4.057427|0.091922|4.540017|6.777394|0.208496|8.798790|0.216940|17.541373|4.923548|3.963380|4.720233|0.037438|0.039957|0.039864|0.042873|0.049094|0.051769|0.044621|0.075352|0.069125|0.070994|0.063365|0.050135|0.046551|0.066888|0.052734|0.080433|0.105409|0.092155|0.097202|0.099576|0.119380|0.108922|0.301936|0.302244|0.500000| |1.254501|1.326119|1.316044|1.367204|1.440074|1.453826|1.392197|10.621894|2.650923|2.477488|1.712494|2.564400|2.060315|3.635262|2.257164|0.064375|2.020342|1.790270|1.643099|1.660223|1.840667|2.054753|3.217824|3.584012|2.514548|3.117823|5.384559|3.917527|0.098836|4.478613|6.898567|0.184765|7.275728|6.979336|0.190636|4.488378|0.111870|3.721008|8.644903|17.601482|5.535545|0.032635|0.035562|0.034742|0.035003|0.037289|0.041628|0.038515|0.048150|0.046869|0.052209|0.048259|0.042179|0.042915|0.062743|0.053997|0.061565|0.069110|0.075226|0.109597|0.111062|0.144930|0.251935|0.103973|0.086155|0.102225|0.500000| |1.202272|1.272143|1.257028|1.308594|1.389018|1.410232|1.345604|10.306746|2.609833|2.398967|1.640203|2.456295|1.999493|3.567513|2.202305|0.061418|2.011774|1.799234|1.665766|1.687929|1.861658|2.053481|3.264045|3.545736|2.598169|2.968175|4.911220|3.801250|0.101638|4.518797|6.545443|0.191716|5.289865|5.459246|0.139142|3.992272|0.095552|3.482970|8.780334|17.529281|7.096396|0.031429|0.034143|0.033070|0.033314|0.035604|0.040737|0.037404|0.046357|0.044349|0.049656|0.048396|0.042878|0.043821|0.062066|0.054501|0.063778|0.071432|0.080111|0.106772|0.122592|0.113543|0.153047|0.103517|0.081931|0.092115|0.302448|0.500000| |1.191416|1.266507|1.264929|1.325159|1.399453|1.402388|1.331050|10.486605|2.630900|2.463203|1.687212|2.495261|2.024167|3.658473|2.169408|0.060485|1.940315|1.747454|1.600128|1.595971|1.740572|1.934390|3.006667|3.475953|2.527782|2.965028|4.976833|3.816861|0.102465|4.036487|5.453106|0.138034|5.255380|6.524193|0.192162|4.484817|0.106414|4.132732|8.791838|17.531217|7.096459|0.031148|0.033588|0.032901|0.033634|0.036352|0.040270|0.036664|0.048144|0.045919|0.050016|0.047690|0.041416|0.041298|0.057871|0.049755|0.061696|0.071552|0.075593|0.095017|0.105165|0.113008|0.151323|0.123651|0.093126|0.115117|0.302670|0.301756|0.500000| |1.246362|1.342448|1.342872|1.426327|1.530189|1.531056|1.428428|11.737392|2.993483|2.740147|1.897229|2.817203|2.365839|4.413248|2.520574|0.067734|2.235724|2.026298|1.831391|1.796772|1.940049|2.174826|3.278069|4.221996|3.267111|3.520318|5.511265|4.876207|0.148066|4.722961|5.336007|0.126567|4.523289|6.241652|0.159976|5.378785|0.115756|5.607842|8.792123|7.065225|17.537203|0.032641|0.035041|0.034114|0.035394|0.039118|0.044523|0.039246|0.055117|0.050617|0.055284|0.055837|0.047418|0.046095|0.063917|0.053602|0.077550|0.096260|0.099716|0.103688|0.131977|0.104077|0.112719|0.203621|0.123449|0.140049|0.142695|0.174920|0.214991|0.500000| 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