Version2.0 2020-01-25T15:13:17Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 22-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@]12C[C@H](CC(C1)(C)C)N(C2)C(=O)CSc3nc(cc(n3)Cl)N(C)CCc4ccc(c(c4)OC)OC C35307117 RHF 6-31G(d) (6D,7F) C[C@]12C[C@H](CC(C1)(C)C)N(C2)C(=O)CSc3nc(cc(n3)Cl)N(C)CCc4ccc(c(c4)OC)OC C01[X(C27H37Cl1N4O3S1)] 213 C1 622 COc1cc(CCN(c2cc(Cl)nc(n2)SCC(=O)N2C[C@]3(C[C@@H]2CC(C3)(C)C)C)C)ccc1OC COc1cc(CCN(c2cc(Cl)nc(n2)SCC(=O)N2C[C@]3(C[C@@H]2CC(C3)(C)C)C)C)ccc1OC COc1ccc(CCN(C)c2cc(Cl)nc(SCC(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)n2)cc1OC InChIKey=HPMWHGRRUUWYKF-PPHZAIPVSA-N InChI=1S/C27H37ClN4O3S/c1-26(2)13-19-14-27(3,16-26)17-32(19)24(33)15-36-25-29-22(28)12-23(30-25)31(4)10-9-18-7-8-20(34-5)21(11-18)35-6/h7-8,11-12,19H,9-10,13-17H2,1-6H3/t19-,27-/m0/s1 InChI=1/C27H37ClN4O3S/c1-26(2)13-19-14-27(3,16-26)17-32(19)24(33)15-36-25-29-22(28)12-23(30-25)31(4)10-9-18-7-8-20(34-5)21(11-18)35-6/h7-8,11-12,19H,9-10,13-17H2,1-6H3/t19-,27-/m0/s1 C[C@]12C[C@H](CC(C1)(C)C)N(C2)C(=O)CSc3nc(cc(n3)Cl)N(C)CCc4ccc(c(c4)OC)OC C01[X(C27H37Cl1N4O3S1)] 213 C01 622 COc1cc(CCN(c2cc(Cl)nc(n2)SCC(=O)N2C[C@]3(C[C@@H]2CC(C3)(C)C)C)C)ccc1OC COc1cc(CCN(c2cc(Cl)nc(n2)SCC(=O)N2C[C@]3(C[C@@H]2CC(C3)(C)C)C)C)ccc1OC COc1ccc(CCN(C)c2cc(Cl)nc(SCC(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)n2)cc1OC InChIKey=HPMWHGRRUUWYKF-PPHZAIPVSA-N InChI=1S/C27H37ClN4O3S/c1-26(2)13-19-14-27(3,16-26)17-32(19)24(33)15-36-25-29-22(28)12-23(30-25)31(4)10-9-18-7-8-20(34-5)21(11-18)35-6/h7-8,11-12,19H,9-10,13-17H2,1-6H3/t19-,27-/m0/s1 InChI=1/C27H37ClN4O3S/c1-26(2)13-19-14-27(3,16-26)17-32(19)24(33)15-36-25-29-22(28)12-23(30-25)31(4)10-9-18-7-8-20(34-5)21(11-18)35-6/h7-8,11-12,19H,9-10,13-17H2,1-6H3/t19-,27-/m0/s1 4115.2043471883 -2343.3651703 1-A 36179.7711 142 480 622 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1 1 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 15.99491 12.00000 31.97207 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 34.96885 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 12926.9326 53368.8722 63689.7816 0.99996 0.00936 -0.00111 -0.00937 0.99994 -0.00472 0.00107 0.00473 0.99999 1 0.00670 0.00162 0.00136 0.13961 0.03382 0.02834 12.27 14.45 18.74 27.87 33.42 50.94 61.21 77.56 78.49 105.21 115.46 133.42 160.22 167.40 173.96 207.60 213.94 216.12 244.43 254.95 266.28 285.73 303.59 312.47 333.99 340.41 353.11 354.93 361.28 376.99 387.14 411.67 420.01 444.83 450.00 480.12 499.80 503.14 520.39 551.85 563.19 579.37 587.82 603.69 616.83 636.57 642.72 669.48 678.49 710.22 744.87 749.65 753.40 767.04 815.08 853.79 857.61 903.26 920.83 923.08 942.10 995.99 999.58 1017.04 1087.40 1113.61 1143.72 1167.47 1171.15 1195.99 1217.17 1239.62 1240.53 1292.58 1304.35 1317.75 1320.69 1340.06 1359.82 1363.07 1398.40 1408.85 1431.03 1444.75 1448.98 1471.49 1480.15 1484.48 1500.44 1523.39 1527.53 1547.83 1560.50 1593.39 1595.34 1610.53 1627.71 1635.06 1645.41 1650.14 1678.72 1724.25 1760.21 1768.15 1775.96 1784.15 1792.00 1800.71 1823.75 1837.13 1845.38 1862.33 1862.62 1863.30 1879.49 1888.58 1889.86 1910.78 1920.62 1928.87 1968.09 1977.28 1986.97 1998.16 2012.46 2022.97 2029.68 2058.75 2069.31 2078.87 2082.36 2092.21 2096.25 2121.00 2130.39 2144.15 2157.08 2158.59 2205.90 2218.93 2227.90 2231.44 2238.82 2254.69 2270.36 2282.81 2283.11 2308.88 2317.31 2342.52 2346.49 2347.93 2353.68 2355.34 2357.35 2363.64 2364.58 2365.05 2368.99 2371.09 2375.84 2376.20 2377.80 2383.89 2389.66 2390.02 2390.12 2391.01 2422.37 2427.49 2456.82 2480.18 2541.99 2577.40 2612.29 2762.50 4587.79 4593.44 4600.68 4603.38 4604.91 4609.06 4611.51 4614.06 4614.32 4619.25 4630.81 4637.98 4670.66 4676.44 4683.79 4685.12 4687.59 4690.01 4690.50 4693.43 4694.53 4695.69 4697.42 4703.38 4705.38 4705.88 4763.93 4770.16 4775.99 4783.26 4783.46 4784.13 4814.04 4841.49 4872.03 4900.17 4980.05 0.660766 0.695268 0.696213 0.588594 -2342.704404 -2342.669902 -2342.668958 -2342.776576 3.609525D-04 MUNgauss RevisionA2.0 retrievium 25-Jan-2020 DUDE C[C@]12C[C@H](CC(C1)(C)C)N(C2)C(=O)CSc3nc(cc(n3)Cl)N(C)CCc4ccc(c(c4)OC)OC C35307117 RHF 6-31G(d) (6D,10F) C1 532.227491 |X|Y|Z| 169.737694 79.997906 31.132376 75.050985 26 6 7 16 21 4 1 |36.858105| |12.473831|36.858105| |7.414569|12.422887|36.858105| |5.055870|8.099933|12.490660|36.858105| |4.110912|5.724431|8.676259|17.649467|0.500000| |4.315840|6.468058|7.604763|12.447282|0.245424|36.858105| |4.806671|7.172979|6.329614|7.360129|0.150581|12.256995|36.858105| |7.572722|12.322924|7.664095|6.661979|0.135168|7.392300|12.217827|36.858105| |3.843483|4.906981|4.631067|4.959131|0.114489|7.578719|12.386002|7.594397|36.858105| |4.006242|5.465851|4.620890|5.588578|0.123814|7.493215|12.360491|7.462342|7.709664|36.858105| |5.163021|8.094616|8.251145|12.983995|0.253358|7.656561|6.335321|6.155037|4.227223|5.922499|53.358707| |7.503601|12.362958|8.056665|7.886878|0.162013|5.821855|6.025169|7.416594|4.098591|5.655812|17.756643|36.858105| |3.853191|5.179044|5.348569|7.754964|0.203318|5.776445|4.811904|4.405808|3.519408|5.053756|19.238229|7.571175|36.858105| |3.223150|4.177152|4.619110|6.864520|0.211313|5.550717|4.310781|3.754780|3.332702|4.454079|11.575635|5.276412|15.830904|73.516695| |3.543777|4.356785|4.104259|4.996510|0.130100|4.124946|3.861532|3.745598|2.964284|4.323893|10.685906|6.586170|12.533349|14.200572|36.858105| |2.656947|3.108748|3.068412|3.681334|0.102830|3.239893|2.987378|2.814600|2.447621|3.345566|6.511746|4.064987|6.992471|11.922905|10.511158|388.023441| |2.444224|2.723110|2.590221|2.915876|0.079533|2.623497|2.541261|2.481709|2.133785|2.861222|5.011656|3.488113|4.622345|7.497341|6.932339|76.805226|36.858105| |2.093236|2.299715|2.222185|2.481460|0.068735|2.275804|2.196829|2.130556|1.892402|2.449385|4.067626|2.820071|3.643647|6.248451|4.797888|52.416230|14.487474|53.358707| |1.933386|2.076689|1.985979|2.164899|0.059529|2.004869|1.968452|1.935814|1.720226|2.184267|3.486865|2.495783|2.985896|5.069296|3.802078|35.255429|8.402731|19.503378|36.858105| |2.023775|2.136407|2.000171|2.137384|0.057868|1.976156|1.977852|1.983889|1.725440|2.196186|3.467871|2.574727|2.881740|4.741802|3.719273|30.667459|7.174425|10.912188|13.474305|36.858105| |2.356900|2.493295|2.286194|2.435022|0.064930|2.223385|2.246743|2.283608|1.923417|2.512064|4.074183|3.100544|3.374330|5.337875|4.616956|35.024009|8.590589|9.745921|8.119830|13.953835|36.858105| |2.660877|2.902686|2.662634|2.904741|0.077181|2.604557|2.599980|2.618872|2.170227|2.933681|5.074234|3.784049|4.394583|6.729495|6.761360|50.634751|14.433616|10.998216|6.962639|7.994097|14.464115|53.358707| |2.445803|2.491304|2.222225|2.285687|0.059970|2.099864|2.178678|2.284389|1.881056|2.411101|3.768005|3.029166|2.943513|4.592288|3.805829|25.732827|5.000291|5.896371|4.805496|7.113519|10.963902|9.982888|448.794386| |1.704079|1.820018|1.760104|1.911517|0.053014|1.790046|1.751360|1.713547|1.555629|1.926351|2.999098|2.133802|2.533245|4.406824|3.059496|27.844250|5.460480|11.308678|14.145604|7.886145|5.285374|6.352411|30.028341|53.358707| 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|17.543576|8.778824|6.790016|4.701193|0.111436|3.811231|3.966858|5.486390|3.231959|3.429049|6.690517|6.859431|3.795486|5.657452|3.556465|19.099936|2.488711|2.901429|1.972234|2.068628|2.411228|3.697447|20.110731|2.363245|1.601113|1.641032|1.622764|1.510778|1.562425|1.442237|1.311987|1.279414|1.361072|2.087498|1.133565|2.171436|1.228050|0.301569|0.301262|0.500000| |6.431929|8.666995|17.563560|8.696644|0.196102|7.106771|6.022075|7.119159|4.899333|4.202485|7.887488|5.675496|4.221244|6.866941|3.355553|18.801006|2.266092|2.696933|1.788176|1.797714|2.026341|3.153395|15.916482|2.183313|1.458707|1.567192|1.554064|1.490092|1.581972|1.490270|1.345736|1.285762|1.343787|2.095787|1.122021|2.252539|1.299106|0.185713|0.134116|0.159767|0.500000| |6.895298|8.760341|17.531890|8.804925|0.215275|5.526026|4.687831|5.527245|3.663627|3.763281|9.735537|7.127013|5.086644|7.864748|4.048576|21.821121|2.610728|3.054250|2.008754|2.024442|2.311683|3.654982|18.032181|2.423116|1.608768|1.728165|1.731015|1.641543|1.740144|1.617859|1.450720|1.389915|1.465610|2.250486|1.205351|2.405659|1.379347|0.169338|0.140698|0.206721|0.300676|0.500000| |3.964455|5.466794|6.952194|8.980563|0.215409|17.513732|8.749755|6.233484|7.511922|5.577425|7.638866|4.620488|4.506297|8.030267|3.391193|19.829619|2.302894|2.769636|1.811043|1.783019|1.981372|3.104356|15.130442|2.227220|1.472516|1.625232|1.592393|1.549549|1.669316|1.588984|1.426815|1.347408|1.396202|2.191212|1.163135|2.399408|1.398757|0.109020|0.095941|0.098256|0.212703|0.144805|0.500000| |3.548308|4.938418|5.529801|8.856637|0.216472|17.561830|8.759225|5.489500|6.418929|7.399716|9.255064|4.951901|6.010111|11.250851|4.235945|24.707238|2.736839|3.253023|2.082054|2.022563|2.254766|3.612423|16.759256|2.538169|1.651115|1.861035|1.800758|1.750644|1.902661|1.798000|1.595607|1.499823|1.560046|2.417687|1.276925|2.662687|1.552078|0.092392|0.089800|0.089475|0.142870|0.123739|0.303989|0.500000| |6.986541|8.791044|5.542035|5.045237|0.109042|5.491459|8.775821|17.514349|6.483724|7.376102|7.050735|6.643666|3.972399|5.982463|3.609203|19.414265|2.482491|2.898475|1.956380|2.031716|2.354214|3.635432|19.305698|2.350586|1.581439|1.643305|1.570504|1.477064|1.537068|1.430622|1.302357|1.263594|1.335320|2.065050|1.117431|2.165898|1.231201|0.174818|0.206901|0.141303|0.142742|0.123202|0.130916|0.125581|0.500000| |7.164833|8.984994|6.976734|5.575197|0.120895|6.255987|8.801255|17.522510|7.610530|5.585767|6.539913|5.492432|3.632862|5.730960|3.123929|17.415319|2.183461|2.594821|1.747759|1.788855|2.031977|3.117830|16.425867|2.128987|1.435306|1.508973|1.464011|1.393648|1.461004|1.373862|1.251935|1.207073|1.265211|1.978123|1.066639|2.096470|1.200640|0.218430|0.173463|0.145020|0.212386|0.144202|0.167861|0.131193|0.304994|0.500000| |3.207250|4.013677|3.955280|4.484593|0.108728|6.928936|8.751809|5.488324|17.536750|7.045189|5.257847|3.580974|3.384278|5.906249|2.846403|17.247039|2.096533|2.556203|1.701600|1.689444|1.864033|2.858473|14.447865|2.107917|1.407453|1.530608|1.466295|1.426128|1.518592|1.451875|1.320383|1.256192|1.299350|2.059311|1.099494|2.230917|1.294280|0.089051|0.084810|0.077445|0.114677|0.089922|0.194996|0.187881|0.136142|0.148536|0.500000| |3.714621|4.461940|3.962374|4.061668|0.095142|5.481812|8.741880|6.946225|17.529304|7.031375|5.028049|3.774929|3.133247|5.204438|2.754696|16.276078|2.045958|2.477644|1.672799|1.693473|1.888613|2.866916|15.050075|2.061330|1.389886|1.474401|1.407721|1.353599|1.422691|1.350533|1.235911|1.188094|1.236763|1.954081|1.051654|2.082037|1.196905|0.104957|0.101608|0.086009|0.114737|0.089961|0.147196|0.135172|0.190541|0.197370|0.301553|0.500000| |3.867057|4.769683|4.787480|4.801954|0.113567|6.887876|8.730097|6.902860|17.542390|5.536791|5.296834|3.790325|3.220780|5.482088|2.705968|16.046045|1.974237|2.398821|1.608357|1.612754|1.788910|2.729851|14.100185|1.990013|1.338149|1.436113|1.390997|1.347168|1.427267|1.362116|1.242647|1.186857|1.229764|1.950412|1.045131|2.100180|1.215470|0.113390|0.098771|0.090756|0.152232|0.105195|0.222507|0.155265|0.156556|0.225721|0.301509|0.301377|0.500000| |4.139650|5.723286|4.730932|5.902978|0.130435|6.741600|8.649356|6.662684|5.525818|17.623638|10.016491|6.940570|6.454163|9.360655|5.640551|28.812472|3.403497|3.845901|2.482090|2.500413|2.919834|4.786499|22.154903|2.925238|1.902137|2.064337|1.933049|1.816658|1.919390|1.766713|1.578527|1.517524|1.611498|2.444051|1.308955|2.596768|1.478977|0.100345|0.114870|0.100731|0.113246|0.110000|0.137079|0.189196|0.185372|0.136302|0.142628|0.142068|0.122338|0.500000| |3.868350|4.882555|3.961284|4.393871|0.100406|5.455293|8.758730|6.865366|7.048084|17.533822|6.378669|4.904488|4.085155|6.417715|3.753473|21.177621|2.665817|3.135289|2.093567|2.135805|2.441968|3.796199|19.297132|2.521845|1.677841|1.778748|1.664082|1.575049|1.648807|1.538176|1.395884|1.348381|1.421400|2.197691|1.183889|2.320708|1.322182|0.098943|0.111428|0.090941|0.102464|0.091971|0.124167|0.146112|0.221822|0.149465|0.174047|0.212879|0.142543|0.302056|0.500000| |3.300917|4.303721|3.948530|4.931038|0.116520|6.867017|8.773863|5.446215|7.088590|17.547852|6.835795|4.482938|4.668724|7.860556|3.974937|23.357176|2.770070|3.288307|2.144600|2.121708|2.382009|3.762605|18.024815|2.601911|1.705125|1.875450|1.759225|1.689090|1.799620|1.689943|1.518570|1.447981|1.515930|2.347033|1.251504|2.528630|1.455055|0.085256|0.090167|0.080876|0.102387|0.091783|0.149183|0.220607|0.146217|0.124714|0.214786|0.174872|0.143124|0.303409|0.301854|0.500000| |7.275455|8.772270|6.764504|6.140767|0.141116|4.519536|4.508957|5.473270|3.348151|4.298133|12.297750|17.533988|6.602931|8.461263|6.477309|28.922536|3.616275|3.955095|2.590615|2.705544|3.298807|5.469986|26.204093|2.995029|1.970357|2.062321|2.018922|1.850006|1.924951|1.740554|1.555850|1.513449|1.630006|2.432689|1.313599|2.537207|1.429749|0.144843|0.183470|0.217781|0.137644|0.196113|0.105957|0.110662|0.142297|0.124260|0.082863|0.087128|0.088317|0.141866|0.107995|0.099853|0.500000| |6.318423|8.678711|5.749485|5.937217|0.128846|5.137893|5.907584|7.038081|4.080816|6.382706|12.208553|17.581582|6.654124|8.462687|6.678993|29.290194|3.679494|4.001909|2.622354|2.747995|3.371426|5.614124|26.877062|3.023274|1.984534|2.076568|1.976458|1.816201|1.888501|1.713650|1.535827|1.494181|1.605906|2.406359|1.299783|2.509651|1.414801|0.133224|0.181870|0.154959|0.125589|0.141640|0.113591|0.127638|0.202801|0.142067|0.099611|0.108440|0.101120|0.235983|0.161039|0.135086|0.302059|0.500000| |3.777423|4.432368|4.133105|4.651527|0.121482|3.708628|3.514408|3.611227|2.739616|3.757984|9.593792|6.809211|8.856802|10.926520|17.626176|56.314719|6.565684|6.244842|3.775951|3.827297|4.897492|9.693128|33.391197|4.111949|2.570780|2.798596|2.717161|2.415171|2.521514|2.196237|1.917632|1.866987|2.054615|2.937245|1.576691|3.053988|1.703694|0.087127|0.102263|0.109472|0.093014|0.118562|0.087021|0.101709|0.097116|0.084883|0.071987|0.071384|0.070784|0.130414|0.093395|0.094354|0.216542|0.183079|0.500000| |3.602322|4.406887|3.884498|4.601174|0.114667|4.068098|4.085027|3.966776|3.116802|4.911512|9.509582|6.669868|8.862314|10.998804|17.620393|56.353265|6.540206|6.225433|3.764370|3.812353|4.873043|9.634169|33.247548|4.103600|2.556854|2.795068|2.588733|2.326483|2.431396|2.139720|1.877446|1.825273|1.996465|2.883088|1.547158|3.005000|1.680256|0.084252|0.100946|0.097473|0.089602|0.103002|0.092067|0.115719|0.110485|0.090140|0.082728|0.082012|0.077384|0.189045|0.120937|0.122532|0.171552|0.219225|0.304496|0.500000| |1.874863|1.951105|1.824462|1.925246|0.052090|1.793979|1.807739|1.824025|1.596519|1.993781|3.069933|2.303710|2.495771|4.130940|3.107513|24.698195|5.117643|7.717502|8.688479|17.842002|8.962708|7.769384|54.144291|9.495003|7.425416|4.551674|3.820913|2.957318|2.660284|2.236802|2.076243|2.210372|2.610768|3.527094|2.010783|3.224445|1.688839|0.047067|0.053995|0.053237|0.045959|0.051312|0.045346|0.050768|0.052131|0.046089|0.043403|0.043792|0.041618|0.062167|0.054415|0.053538|0.067216|0.068196|0.089248|0.088958|0.500000| |1.558829|1.634838|1.558557|1.661012|0.045522|1.577576|1.575914|1.558356|1.419757|1.734681|2.574046|1.880826|2.099891|3.604885|2.485795|20.622989|3.829084|6.411575|6.831662|6.682974|4.564054|5.069233|29.883665|12.307563|17.552180|5.888360|4.433492|3.427973|2.916764|2.460862|2.352543|2.602771|3.152643|4.182459|2.445582|3.619918|1.848771|0.039787|0.044436|0.043911|0.039834|0.043576|0.040327|0.045229|0.044215|0.039803|0.039144|0.038897|0.037102|0.053051|0.047282|0.047621|0.053749|0.055032|0.068892|0.070315|0.224048|0.500000| |1.452898|1.527559|1.482082|1.584261|0.044001|1.499174|1.474779|1.450659|1.334598|1.602065|2.423713|1.742897|1.988225|3.481065|2.301713|19.572880|3.443861|5.952862|5.770136|4.893076|3.632730|4.334630|23.826854|12.548483|17.645950|7.587371|5.974182|4.427085|3.475652|2.884631|2.815607|3.267773|4.197284|5.198321|3.112942|4.232378|2.101008|0.037293|0.040954|0.041129|0.038033|0.041685|0.038604|0.043128|0.040706|0.037277|0.036956|0.036312|0.035102|0.048668|0.043263|0.044270|0.049877|0.050142|0.063781|0.063430|0.145566|0.302241|0.500000| |1.585687|1.651430|1.588690|1.680570|0.046406|1.568786|1.549790|1.547274|1.389191|1.677328|2.604488|1.903500|2.125661|3.646384|2.518945|20.929987|3.894512|6.532116|6.947310|6.757830|4.624127|5.145812|30.096996|12.289597|17.554228|5.908578|5.207190|3.747933|3.101106|2.564740|2.442093|2.729424|3.394185|4.345589|2.553177|3.718462|1.888735|0.040401|0.044905|0.045260|0.040485|0.045009|0.040235|0.044671|0.043558|0.039636|0.038106|0.037845|0.036580|0.051372|0.045368|0.045718|0.055346|0.054837|0.071681|0.069341|0.222190|0.300180|0.302283|0.500000| |1.489800|1.598006|1.569803|1.715397|0.048119|1.632911|1.583875|1.526650|1.431060|1.731873|2.617971|1.830537|2.199628|3.953321|2.517789|22.794055|3.812791|7.023121|5.846749|4.286919|3.415338|4.420931|21.517789|12.563995|7.370698|17.583856|8.813233|6.878818|5.123919|4.021532|3.811369|4.408925|5.984635|6.498040|3.637980|5.442991|2.659205|0.038264|0.041602|0.041917|0.040254|0.043891|0.041938|0.047742|0.042459|0.039083|0.040043|0.038608|0.037492|0.052698|0.046181|0.048588|0.051658|0.052424|0.067628|0.068548|0.112884|0.166591|0.240064|0.152624|0.500000| |1.685090|1.840012|1.813488|2.022117|0.056922|1.912743|1.835518|1.749822|1.633896|2.026884|3.137741|2.148991|2.724698|4.947107|3.181093|31.530408|5.261122|10.866846|7.381916|4.803070|3.992430|5.516848|23.680875|12.495707|5.697187|17.683375|8.854861|6.932206|6.156643|4.470452|3.825339|3.994601|5.057867|5.716350|3.022369|5.433244|2.767205|0.042941|0.046813|0.047321|0.046037|0.050566|0.048562|0.056526|0.048387|0.044329|0.045814|0.043725|0.042538|0.062607|0.053301|0.057072|0.060323|0.061530|0.083303|0.085361|0.115386|0.136030|0.152129|0.128915|0.303666|0.500000| |1.710242|1.841155|1.845421|2.021331|0.057784|1.850188|1.747344|1.701653|1.547395|1.866950|3.122043|2.146773|2.689065|4.862393|3.114810|29.866650|4.865481|9.018241|6.229254|4.474455|3.825530|5.290489|23.223169|9.521885|5.111387|8.905137|17.580969|8.899721|7.122316|4.707676|3.963362|4.209730|5.665813|5.901386|3.133571|5.513343|2.783286|0.043532|0.047020|0.049064|0.046686|0.052767|0.047404|0.053686|0.046552|0.043430|0.042890|0.041164|0.040892|0.057539|0.048821|0.051648|0.062104|0.059813|0.086396|0.079598|0.109135|0.112796|0.137047|0.136639|0.174072|0.213319|0.500000| |1.505661|1.597197|1.589317|1.713719|0.048615|1.592185|1.524567|1.492752|1.370528|1.626713|2.606274|1.827023|2.178518|3.906913|2.480709|22.104845|3.643023|6.416008|5.192025|4.028932|3.297008|4.288949|21.108335|9.475425|6.171295|8.837749|17.524190|8.882114|5.671153|4.209496|3.966023|4.731554|7.142627|6.805713|3.854119|5.543363|2.681155|0.038647|0.041700|0.043078|0.040661|0.045284|0.041159|0.045956|0.041152|0.038426|0.038010|0.036771|0.036320|0.049495|0.043113|0.045050|0.052705|0.051274|0.069153|0.065330|0.106495|0.127694|0.189828|0.164946|0.211360|0.173865|0.303151|0.500000| |1.670981|1.840797|1.892405|2.135288|0.062498|1.982475|1.824357|1.725905|1.626872|1.942708|3.212967|2.116886|2.823812|5.449351|3.056231|30.233372|4.008981|6.579552|4.040600|3.142999|2.917871|4.303130|18.553956|5.758442|3.323397|5.636716|6.998849|8.945104|17.708849|8.916444|5.646206|4.947844|5.655749|6.519264|3.140396|7.447441|3.921729|0.042920|0.045325|0.047405|0.048254|0.053551|0.051083|0.058919|0.046540|0.044165|0.045830|0.042739|0.042999|0.059235|0.049985|0.055006|0.059636|0.058279|0.080612|0.077019|0.077380|0.080869|0.092302|0.085993|0.131411|0.179348|0.212092|0.143256|0.500000| |1.441242|1.581542|1.647406|1.848818|0.054597|1.757921|1.610095|1.508760|1.472012|1.691193|2.671528|1.759896|2.268017|4.453578|2.323741|20.826609|2.699192|4.127388|2.707909|2.262764|2.136683|3.100761|14.371836|3.902401|2.457328|3.588199|4.100324|5.656261|8.937135|17.760877|8.945526|5.636950|4.977030|7.592815|3.331053|12.548936|7.510847|0.037619|0.038925|0.040628|0.042870|0.046330|0.046255|0.052491|0.040506|0.039182|0.041945|0.038630|0.039234|0.050269|0.043674|0.048556|0.048949|0.048199|0.061194|0.059762|0.057789|0.061958|0.070376|0.064041|0.094673|0.108747|0.112053|0.097138|0.217226|0.500000| |1.292156|1.372116|1.376764|1.486561|0.042386|1.407518|1.345608|1.303561|1.231229|1.429996|2.205447|1.535355|1.819613|3.326993|1.991803|17.258536|2.641746|4.359347|3.344720|2.773127|2.387862|3.169380|16.102012|5.698647|4.020298|5.523272|7.027668|8.915831|5.681775|4.975394|5.633402|8.965337|17.742445|12.618255|7.552143|7.595568|3.331773|0.033577|0.035688|0.036673|0.035710|0.038934|0.036804|0.040884|0.035860|0.033868|0.034469|0.033059|0.032737|0.042788|0.038001|0.040115|0.043626|0.043004|0.054531|0.053001|0.074997|0.094307|0.133421|0.103094|0.172111|0.129322|0.144579|0.216357|0.124468|0.107967|0.500000| |1.127281|1.187337|1.197925|1.280296|0.036586|1.219158|1.166145|1.132959|1.080104|1.225156|1.866484|1.305445|1.511881|2.769269|1.618027|13.475476|2.005709|3.140994|2.384500|2.092443|1.861010|2.477946|13.067354|3.801021|2.799550|3.297174|3.848202|4.580775|3.758512|3.805163|4.756453|7.051449|6.744985|16.445617|17.548905|7.523308|3.241997|0.029560|0.031073|0.032002|0.031386|0.033915|0.032233|0.035244|0.031120|0.029721|0.030265|0.029051|0.028924|0.036218|0.032688|0.034394|0.037046|0.036372|0.044525|0.043191|0.057515|0.069286|0.089561|0.074745|0.099616|0.082782|0.091552|0.116803|0.086968|0.088309|0.226914|0.500000| |1.127446|1.192545|1.195913|1.285057|0.036540|1.235054|1.188005|1.147378|1.102792|1.260195|1.878687|1.313509|1.525688|2.794530|1.638869|13.731726|2.056626|3.253931|2.487299|2.164332|1.908116|2.531839|13.332269|4.045111|2.986708|3.587434|3.855539|4.572727|3.750124|3.796087|4.745461|7.039393|6.738856|16.444576|17.546314|7.507306|3.235317|0.029547|0.031197|0.031805|0.031333|0.033609|0.032553|0.035886|0.031639|0.030024|0.031017|0.029740|0.029385|0.037240|0.033719|0.035560|0.037010|0.036881|0.044623|0.044193|0.059606|0.075208|0.097736|0.076754|0.115481|0.090753|0.089094|0.112505|0.086783|0.088100|0.226912|0.298974|0.500000| |1.048728|1.106167|1.116804|1.195037|0.034127|1.149641|1.101673|1.064773|1.028734|1.157948|1.728076|1.206892|1.392458|2.561622|1.473943|12.150450|1.781474|2.749323|2.066622|1.833740|1.651848|2.212080|11.726042|3.235210|2.374200|2.775659|3.042975|3.612825|3.191696|3.417885|4.410824|5.890408|4.913487|17.032828|17.642860|7.774584|3.344484|0.027626|0.028914|0.029619|0.029421|0.031448|0.030515|0.033331|0.029259|0.028020|0.028957|0.027707|0.027556|0.033999|0.030963|0.032692|0.034000|0.033682|0.040252|0.039602|0.050418|0.060558|0.074830|0.062629|0.084814|0.072179|0.073980|0.088093|0.075174|0.082072|0.147139|0.299968|0.300016|0.500000| |1.139144|1.229061|1.276708|1.399231|0.040941|1.358578|1.263380|1.190613|1.186919|1.312458|1.971018|1.328164|1.604552|3.084740|1.619169|13.443933|1.800519|2.674772|1.855390|1.631699|1.544740|2.182123|10.874673|2.699580|1.822197|2.334781|2.539910|3.177159|3.617190|4.913022|5.892869|4.406990|3.413868|7.764014|3.342498|17.025049|17.642817|0.030188|0.030879|0.031981|0.033883|0.035760|0.036451|0.040132|0.032122|0.031424|0.033940|0.031432|0.031932|0.038157|0.034428|0.037756|0.036816|0.036482|0.043199|0.042716|0.043079|0.047181|0.053277|0.048017|0.065688|0.067165|0.067246|0.065934|0.089173|0.146582|0.082079|0.084321|0.084174|0.090732|0.500000| |1.251983|1.365045|1.417863|1.576107|0.046211|1.533031|1.418387|1.324135|1.323909|1.486359|2.234494|1.488676|1.847182|3.595366|1.864632|15.870474|2.089670|3.126831|2.124342|1.835643|1.739389|2.485679|12.051653|3.078300|2.023737|2.723380|2.920046|3.737193|4.581774|6.747404|7.058773|4.753951|3.799370|7.515234|3.238004|16.442356|17.551322|0.033022|0.033918|0.035040|0.037422|0.039540|0.040837|0.045760|0.035676|0.034717|0.038013|0.034932|0.035397|0.043435|0.038751|0.043030|0.041051|0.040977|0.049105|0.049042|0.047861|0.052325|0.058709|0.052668|0.075834|0.080869|0.077455|0.073162|0.113439|0.225829|0.088222|0.081798|0.084859|0.084261|0.299936|0.500000| 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