Version2.1 2020-12-26T01:11:07Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 21-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Oc5ccc4O[C@@H](c2ccc(OCCN1CCCCC1)cc2)[C@@H](C3CCCCCC3)Sc4c5 137607 CHEMBL316132 RHF 6-31G(d) (6D,7F) Oc5ccc4O[C@@H](c2ccc(OCCN1CCCCC1)cc2)[C@@H](C3CCCCCC3)Sc4c5 C01[X(C28H37N1O3S1)] 204 C1 573 Oc1ccc2c(c1)S[C@@H]([C@@H](O2)c1ccc(cc1)OCCN1CCCCC1)C1CCCCCC1 Oc1ccc2c(c1)S[C@@H]([C@@H](O2)c1ccc(cc1)OCCN1CCCCC1)C1CCCCCC1 Oc1ccc2O[C@H]([C@H](Sc2c1)C3CCCCCC3)c4ccc(OCCN5CCCCC5)cc4 InChIKey=KBVQEEKNQSIIOL-WUFINQPMSA-N InChI=1S/C28H37NO3S/c30-23-12-15-25-26(20-23)33-28(22-8-4-1-2-5-9-22)27(32-25)21-10-13-24(14-11-21)31-19-18-29-16-6-3-7-17-29/h10-15,20,22,27-28,30H,1-9,16-19H2/t27-,28+/m0/s1 InChI=1/C28H37NO3S/c30-23-12-15-25-26(20-23)33-28(22-8-4-1-2-5-9-22)27(32-25)21-10-13-24(14-11-21)31-19-18-29-16-6-3-7-17-29/h10-15,20,22,27-28,30H,1-9,16-19H2/t27-,28+/m0/s1 Oc5ccc4O[C@@H](c2ccc(OCCN1CCCCC1)cc2)[C@@H](C3CCCCCC3)Sc4c5 C01[X(C28H37N1O3S1)] 204 C01 573 Oc1ccc2c(c1)S[C@@H]([C@@H](O2)c1ccc(cc1)OCCN1CCCCC1)C1CCCCCC1 O[C]1[CH][CH][C]2[C]([CH]1)S[C@@H]([C@@H](O2)[C]1[CH][CH][C]([CH][CH]1)OCCN1CCCCC1)C1CCCCCC1 O[C]1[CH][CH][C]2O[C@@H]([C]3[CH][CH][C]([CH][CH]3)OCCN4CCCCC4)[C@H](S[C]2[CH]1)C5CCCCCC5 InChIKey=KBVQEEKNQSIIOL-WUFINQPMSA-N InChI=1S/C28H37NO3S/c30-23-12-15-25-26(20-23)33-28(22-8-4-1-2-5-9-22)27(32-25)21-10-13-24(14-11-21)31-19-18-29-16-6-3-7-17-29/h10-15,20,22,27-28,30H,1-9,16-19H2/t27-,28+/m0/s1 InChI=1/C28H37NO3S/c30-23-12-15-25-26(20-23)33-28(22-8-4-1-2-5-9-22)27(32-25)21-10-13-24(14-11-21)31-19-18-29-16-6-3-7-17-29/h10-15,20,22,27-28,30H,1-9,16-19H2/t27-,28+/m0/s1 3507.8395005741 -1758.3756727 1-A 26620.1988 126 447 573 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.94364 -20.58989 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 9561.9254 39546.1206 45381.5484 0.99990 -0.01438 0.00133 0.01439 0.99989 -0.00420 -0.00127 0.00422 0.99999 1 0.00906 0.00219 0.00191 0.18874 0.04564 0.03977 16.76 18.73 37.17 40.26 43.37 56.86 75.70 90.91 103.00 120.48 148.22 191.83 197.99 203.27 247.77 256.44 273.46 300.35 309.91 331.87 356.13 385.85 394.71 417.10 424.26 441.50 455.56 470.79 529.14 549.55 567.15 581.50 607.87 619.94 634.65 653.79 660.24 670.10 705.72 708.93 716.32 730.75 754.62 788.10 815.31 837.28 842.95 863.25 889.25 940.56 968.44 1006.65 1061.70 1089.04 1131.63 1138.61 1155.02 1181.08 1203.32 1210.22 1228.35 1272.46 1285.65 1297.51 1310.79 1318.27 1332.10 1340.48 1344.11 1362.45 1366.56 1371.50 1383.20 1406.21 1422.94 1441.25 1458.01 1503.18 1507.70 1520.13 1532.59 1547.67 1554.18 1572.79 1579.01 1599.07 1599.85 1609.98 1626.16 1640.33 1649.05 1655.86 1671.35 1689.28 1718.22 1721.35 1732.24 1736.03 1756.55 1761.18 1769.09 1805.99 1814.19 1826.27 1844.30 1848.51 1867.95 1872.41 1876.23 1908.13 1933.67 1942.97 1947.16 1948.18 1967.61 1990.35 2003.81 2020.94 2038.29 2041.01 2047.19 2051.35 2051.84 2056.63 2069.03 2081.45 2086.20 2098.70 2113.78 2119.63 2147.14 2151.92 2164.08 2175.79 2200.34 2203.62 2203.99 2207.24 2209.67 2210.86 2219.75 2229.51 2234.49 2253.18 2272.92 2278.00 2295.51 2300.08 2340.14 2349.54 2351.23 2356.29 2358.42 2363.02 2368.57 2372.34 2376.01 2382.74 2393.71 2397.36 2405.98 2416.60 2445.17 2556.79 2579.21 2617.30 2625.74 4439.12 4451.93 4501.90 4578.26 4582.92 4586.17 4589.48 4594.88 4604.03 4608.53 4610.73 4611.58 4615.17 4615.95 4617.43 4624.73 4643.31 4649.29 4650.81 4653.50 4664.07 4668.26 4669.24 4675.63 4679.81 4687.61 4694.16 4714.70 4728.97 4815.57 4817.65 4869.62 4883.71 4886.63 4896.22 4913.81 5925.29 0.653513 0.682179 0.683124 0.589773 -1757.722160 -1757.693493 -1757.692549 -1757.785900 3.131008D-04 MUNgauss RevisionA2.0 retrievium 26-Dec-2020 DUDE Oc5ccc4O[C@@H](c2ccc(OCCN1CCCCC1)cc2)[C@@H](C3CCCCCC3)Sc4c5 137607 CHEMBL316132 RHF 6-31G(d) (6D,10F) C1 467.249416 |X|Y|Z| 66.861240 35.350175 144.568755 69.911209 32 6 7 8 16 28 1 2 1 |73.516695| |25.006549|36.858105| |14.430620|13.698005|36.858105| |9.393687|7.978647|13.850470|36.858105| |8.201921|6.863520|7.910299|13.706688|36.858105| |6.173155|4.608407|5.264392|8.126278|14.004702|73.516695| |5.354008|3.817022|4.023826|5.330927|8.049308|24.116407|36.858105| |5.492412|3.895971|4.037086|5.160227|7.384553|16.721253|17.537051|0.500000| |4.385713|2.988276|3.214957|4.110569|5.230649|14.287110|12.561520|0.249329|36.858105| |3.866452|2.561052|2.687435|3.256520|3.957846|9.271934|7.576047|0.196804|13.649739|36.858105| |3.374588|2.188496|2.309786|2.739659|3.164460|7.099462|5.022836|0.131642|7.882421|13.851258|36.858105| |3.252952|2.101597|2.258115|2.690896|3.020003|6.815241|4.410195|0.111206|6.795135|7.936048|13.663608|36.858105| |2.885623|1.833078|1.958961|2.278288|2.493819|5.377578|3.364980|0.087301|4.594207|5.303268|8.203012|14.153263|73.516695| |2.737688|1.726058|1.859856|2.147787|2.295238|4.869429|2.907013|0.075070|3.768684|3.985397|5.252869|7.993606|24.142686|36.858105| |2.446858|1.523139|1.625551|1.840821|1.950005|4.019671|2.398764|0.063234|2.963784|3.199192|4.083800|5.224107|14.319825|12.541061|36.858105| |2.385255|1.478282|1.577662|1.775563|1.866412|3.803516|2.271920|0.061227|2.763609|3.030011|3.822282|4.555888|11.487471|7.685560|13.145866|53.358707| |2.200104|1.353244|1.429181|1.589061|1.672503|3.357126|2.017900|0.054883|2.394623|2.656966|3.274069|3.636071|8.558546|5.129716|7.866498|17.836420|36.858105| |2.145790|1.313619|1.385327|1.529712|1.599967|3.175162|1.905891|0.052705|2.221701|2.471560|2.964420|3.151013|6.903812|3.930254|5.062152|10.561490|12.482797|36.858105| |2.115899|1.290831|1.370936|1.509109|1.556761|3.069524|1.809814|0.050116|2.086670|2.261733|2.642496|2.853136|6.038760|3.596576|4.428185|8.920365|7.562217|12.461773|36.858105| |2.285630|1.402593|1.506136|1.673625|1.717116|3.417764|1.995596|0.054995|2.331121|2.490127|2.922736|3.269305|6.926977|4.296083|5.064043|10.549275|6.582790|7.606973|12.462987|36.858105| |2.344826|1.446731|1.556851|1.744694|1.801568|3.634568|2.120450|0.057366|2.527040|2.678733|3.219852|3.813182|8.601344|5.993087|7.881711|17.841903|7.915926|6.598109|7.576491|12.484625|36.858105| |3.540244|2.316247|2.542330|3.113360|3.480770|8.217241|4.979354|0.118575|7.876962|6.903355|7.951174|13.761590|13.985092|6.689045|4.391318|5.175897|3.053877|2.688417|2.534519|2.947798|3.432480|36.858105| |4.128163|2.778128|3.080124|3.952989|4.651769|12.365224|7.485977|0.160622|13.792844|8.009471|6.905762|7.925532|9.231977|4.495676|3.331478|4.102013|2.531361|2.302138|2.190070|2.501243|2.790949|13.689205|36.858105| |5.237644|3.659976|3.592563|4.370826|6.390461|13.827356|12.343285|0.249111|7.458351|5.930056|4.260926|3.722566|5.286414|2.588212|2.189254|2.794347|1.861389|1.750119|1.647022|1.782843|1.899032|4.020967|5.358346|36.858105| |4.685412|3.170584|3.081866|3.620065|4.898497|10.192824|9.053734|0.226352|6.893415|6.531952|4.589993|3.780035|5.414782|2.590597|2.218431|2.849129|1.917866|1.808617|1.682573|1.803556|1.911782|3.843230|4.809663|17.589778|0.500000| |4.672224|3.166808|3.142755|3.736650|4.972777|10.640449|7.188823|0.150077|6.086173|4.948218|3.945808|3.663039|5.296289|2.646911|2.231568|2.777886|1.850625|1.710499|1.606189|1.734838|1.880064|4.053718|5.185155|12.287557|0.248563|36.858105| |5.056296|3.454342|3.494359|4.172881|5.362145|10.881048|5.829057|0.124825|4.949322|3.886379|3.272267|3.227889|4.774770|2.486948|2.097659|2.604142|1.725379|1.595062|1.520201|1.653598|1.796837|3.757479|4.796402|7.365563|0.152055|12.397505|36.858105| |4.318751|2.821811|2.859023|3.264388|3.824236|7.502105|4.055068|0.092635|3.811540|3.192728|2.858316|2.910097|4.467723|2.389285|2.041422|2.499269|1.665657|1.525798|1.454730|1.574026|1.726174|3.350501|3.931112|4.775817|0.111746|7.291690|12.402568|36.858105| |4.065882|2.584836|2.527864|2.765733|3.192585|5.952769|3.329173|0.079662|3.092167|2.730134|2.468919|2.459502|3.872416|2.066838|1.813338|2.239402|1.517948|1.398717|1.329397|1.420111|1.544137|2.710045|3.070283|4.072740|0.100466|5.798103|7.377872|12.413813|36.858105| |3.610235|2.272737|2.210068|2.412917|2.799054|5.305416|3.132895|0.076210|2.996550|2.764612|2.532228|2.480851|3.949615|2.080899|1.846395|2.273372|1.557416|1.429863|1.343877|1.421509|1.546890|2.640730|2.910637|3.917096|0.102753|5.543552|5.591501|7.330115|12.400668|36.858105| |3.639301|2.322346|2.263897|2.518067|3.006867|5.888031|3.697699|0.089055|3.589867|3.387335|3.050862|2.899817|4.534125|2.319078|2.039808|2.508604|1.716977|1.572409|1.461595|1.544477|1.681969|3.020184|3.350982|4.884915|0.134091|7.371171|5.897605|6.347303|7.311993|12.408080|36.858105| |4.224337|2.760611|2.649167|2.982694|3.748089|7.321286|4.828205|0.114451|4.310525|3.962770|3.337718|3.057711|4.633104|2.326377|2.024397|2.529971|1.721079|1.595315|1.487867|1.581042|1.703663|3.204568|3.755545|7.538608|0.203641|12.343239|7.366350|6.125499|6.271055|7.308173|12.395751|36.858105| |6.625245|4.741914|4.180446|4.691411|6.849589|10.856481|6.940199|0.187858|4.594388|3.960596|3.098822|2.777911|4.146474|2.088977|1.818115|2.359887|1.594180|1.523030|1.449191|1.556800|1.631231|2.967501|3.711041|10.380066|0.227257|6.676922|5.686084|4.003304|3.717306|3.469470|3.952250|5.750509|388.023441| |9.237952|7.899984|6.840887|7.949691|13.784210|14.027665|6.694749|0.183353|4.396995|3.584608|2.873123|2.674848|3.999428|2.058249|1.781101|2.325361|1.554729|1.492545|1.442630|1.568620|1.637405|2.961856|3.773984|6.793487|0.146566|5.076422|5.233265|3.743983|3.314718|2.932981|3.150883|4.088222|76.376308|36.858105| |14.130553|13.825891|7.949958|6.923989|7.949453|9.234799|4.517901|0.128458|3.341564|2.859444|2.384970|2.245418|3.445560|1.798454|1.582110|2.080354|1.402693|1.356421|1.319521|1.427108|1.477785|2.453985|2.988212|4.616139|0.108916|3.815044|4.040841|3.158446|2.921283|2.584402|2.686021|3.329265|49.822961|13.645960|36.858105| |35.767704|9.988616|6.046563|4.439271|4.166247|5.715252|2.879887|0.082395|2.359410|2.107102|1.838924|1.759665|2.784056|1.480305|1.329345|1.763485|1.201437|1.172294|1.151468|1.236845|1.268115|1.896473|2.198703|2.903014|0.072971|2.592901|2.767747|2.377226|2.284114|2.044682|2.058626|2.397333|26.964867|4.968911|7.784558|0.500000| |13.249798|8.930876|17.744433|8.902490|5.624617|7.554336|3.360296|0.093781|2.819412|2.400341|2.109059|2.086431|3.263001|1.763413|1.552411|2.059620|1.372247|1.334960|1.331285|1.464378|1.507466|2.342335|2.765758|3.007958|0.073312|2.703036|3.002520|2.551960|2.274998|1.998637|2.028450|2.319625|24.061305|4.937472|5.663001|0.151808|0.500000| |7.561630|5.653416|8.922767|17.731062|8.987668|13.405145|4.961264|0.131236|4.152042|3.263818|2.806226|2.828518|4.259463|2.288212|1.944600|2.554119|1.661842|1.597469|1.588556|1.782081|1.862782|3.348516|4.227031|3.915281|0.091903|3.461013|3.868261|3.128162|2.609605|2.288260|2.385804|2.755657|27.644308|5.674109|4.979775|0.100927|0.213115|0.500000| |3.901325|2.571180|2.634779|3.120986|3.824321|8.420595|7.046906|0.207883|8.877743|17.687787|9.005619|5.655241|7.632704|3.335041|2.811203|3.701852|2.456563|2.331080|2.125430|2.295476|2.416203|4.965704|5.670487|6.061884|0.207587|4.715598|3.616206|2.964153|2.619390|2.689434|3.324064|3.997496|29.978266|3.635696|2.920101|0.059653|0.065095|0.084742|0.500000| |3.117680|1.994627|2.080875|2.413380|2.748967|5.906958|4.093553|0.111761|5.611563|8.903843|17.737833|8.950386|13.493875|4.872426|4.110939|5.418767|3.542337|3.237366|2.790415|3.000622|3.248629|5.667176|4.970760|3.659483|0.112606|3.400407|2.833720|2.527089|2.244441|2.339799|2.811775|3.029121|19.857096|2.559087|2.169585|0.047486|0.053168|0.068172|0.215981|0.500000| |2.822693|1.781997|1.944985|2.257978|2.375081|5.041652|2.936556|0.076227|3.777300|3.851237|4.836352|7.174204|16.548449|17.569348|8.799582|9.598149|4.626483|3.778082|3.664567|4.673196|6.539809|6.847403|4.640194|2.547731|0.069860|2.565473|2.455782|2.335349|2.005224|1.984402|2.185781|2.224206|14.797494|2.096482|1.836623|0.042135|0.051531|0.067897|0.089429|0.121482|0.500000| |2.747994|1.733513|1.865675|2.154971|2.308604|4.905026|2.894954|0.073273|3.711946|3.781041|4.743519|7.024312|16.543579|17.523037|8.901700|7.638202|4.211421|3.292601|3.048976|3.530160|4.722463|6.709107|4.556091|2.627314|0.072242|2.774534|2.643141|2.598030|2.226556|2.239543|2.478005|2.435907|14.998429|2.072948|1.809123|0.041297|0.049077|0.063656|0.087925|0.119463|0.301109|0.500000| |2.346347|1.453288|1.553485|1.748560|1.834004|3.743390|2.194379|0.057641|2.651723|2.780927|3.394322|4.255086|10.293273|8.923794|17.412074|12.255990|6.490726|4.423559|4.123984|4.696434|7.422520|3.858816|3.010914|2.018768|0.056291|2.080576|1.991448|1.967606|1.752288|1.774761|1.929738|1.896036|12.076547|1.676088|1.500228|0.035381|0.041452|0.051458|0.068487|0.093366|0.205798|0.223649|0.500000| |2.387965|1.484255|1.568927|1.768803|1.892049|3.886549|2.353780|0.062027|2.892734|3.189315|4.103034|4.999586|13.540591|9.033199|17.592789|12.509587|7.720078|4.863009|3.989505|4.213228|5.749878|4.072167|3.167713|2.192903|0.062455|2.254024|2.089930|2.046745|1.837694|1.900562|2.117820|2.078351|12.908423|1.749647|1.553630|0.036213|0.041452|0.051348|0.078848|0.118718|0.174977|0.212711|0.302632|0.500000| |2.082701|1.275163|1.345409|1.487517|1.557347|3.103605|1.846706|0.050010|2.161846|2.354100|2.829832|3.154393|7.184732|4.510621|6.923954|12.247738|17.365909|8.836975|6.764284|5.731418|7.035781|2.744312|2.300538|1.719357|0.048945|1.726838|1.626181|1.587967|1.454115|1.491431|1.627872|1.616099|10.559928|1.451708|1.317466|0.031611|0.036018|0.043210|0.060669|0.083485|0.114081|0.108668|0.184712|0.191503|0.500000| |2.215300|1.364692|1.432016|1.592823|1.693623|3.407522|2.076952|0.056414|2.474267|2.800914|3.505923|3.799556|9.050052|5.039397|7.348018|12.535960|17.578246|8.874756|5.515950|4.926438|5.717723|3.099764|2.577199|1.938084|0.056033|1.933522|1.779730|1.719162|1.574213|1.632741|1.817524|1.813883|11.718793|1.585737|1.425426|0.033718|0.037995|0.045934|0.072380|0.108649|0.119939|0.117424|0.161711|0.241441|0.301641|0.500000| |2.024230|1.233187|1.292647|1.417249|1.482694|2.917802|1.752586|0.048566|2.014545|2.238398|2.638823|2.750103|5.877437|3.313847|4.179675|7.656260|8.868894|17.530430|8.797146|5.514910|4.931421|2.372192|2.066810|1.629963|0.046956|1.597578|1.489055|1.431442|1.324294|1.360632|1.492462|1.507233|10.175804|1.395088|1.274757|0.030818|0.034631|0.040881|0.059431|0.080477|0.087598|0.079836|0.105091|0.116921|0.216335|0.212996|0.500000| |2.247684|1.380328|1.454025|1.610305|1.692927|3.369341|2.044530|0.057054|2.395456|2.718314|3.291437|3.400896|7.352422|3.942780|4.740378|9.519314|8.918499|17.535211|8.851589|6.816086|5.764896|2.837051|2.443020|1.864741|0.053907|1.799423|1.661750|1.572419|1.439608|1.472917|1.632819|1.673599|11.501374|1.579823|1.430333|0.034123|0.038781|0.046602|0.071691|0.102207|0.105698|0.090623|0.110983|0.127649|0.174052|0.218209|0.302110|0.500000| |2.007312|1.219936|1.294083|1.418056|1.457941|2.860810|1.675395|0.046148|1.916230|2.052930|2.372885|2.578480|5.428084|3.318956|4.159928|7.752583|6.768991|8.852872|17.494733|8.856032|6.782503|2.331161|2.022948|1.537890|0.043486|1.513584|1.442530|1.393107|1.277706|1.291705|1.395063|1.409118|9.670192|1.354619|1.244373|0.030365|0.035008|0.041444|0.053623|0.068979|0.093290|0.080322|0.113561|0.105101|0.198033|0.139156|0.215307|0.173769|0.500000| |2.075733|1.261534|1.337144|1.463542|1.504260|2.941261|1.732719|0.048426|1.972255|2.137460|2.453225|2.587366|5.300834|3.071063|3.588479|6.685362|5.499975|8.802545|17.539825|8.802178|5.505416|2.317632|2.043857|1.577176|0.044832|1.525413|1.443640|1.375660|1.262731|1.274984|1.384656|1.417480|9.972419|1.399137|1.286638|0.031401|0.036155|0.042696|0.056483|0.072146|0.087584|0.073520|0.093127|0.091834|0.138748|0.123597|0.209284|0.214809|0.303089|0.500000| |2.236636|1.366461|1.472922|1.628010|1.651529|3.258595|1.876145|0.051731|2.158868|2.262119|2.588820|2.887576|5.902902|3.703214|4.183300|7.651525|4.923715|5.514739|8.796190|17.530859|8.868107|2.694167|2.327290|1.675922|0.046760|1.632009|1.573107|1.501549|1.355917|1.348455|1.452195|1.486804|10.523097|1.505870|1.379615|0.033547|0.040056|0.048374|0.058131|0.072704|0.114443|0.087653|0.113483|0.097920|0.128564|0.108245|0.123255|0.139246|0.215463|0.209132|0.500000| |2.420432|1.491431|1.605132|1.792420|1.842759|3.682826|2.163337|0.060172|2.542785|2.744085|3.230754|3.559527|7.379773|4.335954|4.740401|9.503982|5.751883|6.810600|8.847277|17.535941|8.911652|3.167859|2.701027|1.906680|0.053718|1.829341|1.732226|1.628477|1.464254|1.463153|1.599707|1.656054|11.806763|1.676567|1.519199|0.036335|0.043235|0.053079|0.070270|0.092354|0.133314|0.097423|0.116788|0.111330|0.132189|0.128955|0.139197|0.199655|0.173760|0.214735|0.302116|0.500000| |2.486760|1.541614|1.675049|1.892780|1.943632|3.952965|2.277434|0.061194|2.737505|2.837761|3.383891|4.155647|9.099771|6.722340|7.349921|12.481759|5.706969|4.925799|5.522062|8.881923|17.577171|3.888773|3.107255|2.009603|0.055601|1.989419|1.919237|1.836887|1.623953|1.610605|1.746245|1.777062|12.215608|1.744088|1.567824|0.037182|0.045107|0.056749|0.069970|0.091703|0.236726|0.145762|0.196812|0.145455|0.143566|0.128024|0.108252|0.128842|0.139527|0.123649|0.213716|0.217551|0.500000| |2.211202|1.356946|1.456526|1.620391|1.665957|3.331614|1.928788|0.051972|2.263398|2.370249|2.793274|3.275171|7.214812|5.103830|6.947120|12.288527|7.065178|5.759699|6.789501|8.833837|17.363268|3.026075|2.501813|1.750537|0.048808|1.752012|1.688944|1.643072|1.478340|1.481707|1.596436|1.600924|10.783516|1.522110|1.382588|0.033260|0.039324|0.047962|0.059841|0.078095|0.149220|0.120514|0.215223|0.148167|0.208865|0.144028|0.129092|0.132681|0.198997|0.139033|0.215906|0.173914|0.302346|0.500000| |3.372417|2.183872|2.416905|2.923719|3.157117|7.172343|4.077582|0.098598|5.641899|4.971521|5.638173|8.879188|12.464046|7.390222|4.661307|5.307732|3.069437|2.664349|2.560711|3.026240|3.634310|17.760552|8.951750|3.415389|0.089684|3.545456|3.463604|3.222048|2.602530|2.506342|2.779535|2.869599|18.768156|2.686967|2.274454|0.050018|0.062794|0.088830|0.107802|0.124218|0.226411|0.224173|0.118431|0.115727|0.078052|0.084798|0.065159|0.076397|0.066264|0.064443|0.077827|0.088409|0.118017|0.090328|0.500000| |4.424799|3.008662|3.428744|4.537982|5.204032|14.132648|6.914397|0.146882|8.954944|5.675449|4.972657|5.657593|7.456782|3.903605|2.978455|3.675942|2.286637|2.091962|2.022734|2.312244|2.569619|8.952208|17.761558|5.084974|0.120287|5.100415|5.285592|4.301195|3.236025|2.944814|3.264140|3.639637|26.464050|4.011714|3.178663|0.064725|0.085468|0.139384|0.124351|0.107890|0.114550|0.112764|0.076957|0.078162|0.058616|0.064002|0.052498|0.060968|0.052422|0.052651|0.060782|0.068645|0.079999|0.064999|0.217990|0.500000| |4.185343|2.797845|2.849095|3.414951|4.357693|9.897876|6.891984|0.142923|7.139552|5.842583|4.743108|4.455853|6.266101|3.077395|2.539854|3.106919|2.050660|1.869312|1.741590|1.888122|2.074293|4.954837|6.274104|9.036881|0.217979|17.518774|8.928720|6.628554|5.095795|5.135236|7.083581|8.977989|36.059982|4.186034|3.246138|0.064057|0.069378|0.091186|0.145067|0.110221|0.081524|0.090676|0.065226|0.071618|0.052924|0.059852|0.048241|0.054613|0.045501|0.045584|0.048967|0.055252|0.061082|0.053480|0.117121|0.161269|0.500000| |5.208660|3.621979|3.860767|4.885411|6.246379|13.916896|6.524500|0.134266|5.633813|4.126486|3.470633|3.520224|5.114120|2.687092|2.224701|2.760029|1.803534|1.665979|1.599200|1.760616|1.919941|4.318504|5.848104|6.816830|0.140224|8.906971|17.605421|8.922573|5.479990|4.357284|4.600198|5.451741|36.729183|5.377923|4.081751|0.077471|0.091981|0.129847|0.103027|0.081715|0.074956|0.079314|0.058689|0.060714|0.047102|0.051265|0.042896|0.048215|0.042058|0.042106|0.046642|0.051398|0.057643|0.049914|0.111233|0.196694|0.219237|0.500000| |5.795483|4.010585|3.901312|4.503603|5.826706|10.360849|5.316836|0.120363|4.233208|3.418114|2.875039|2.798585|4.209620|2.203062|1.888810|2.377329|1.587335|1.483080|1.420564|1.539236|1.653670|3.190313|3.997173|6.807183|0.141209|8.837865|17.534744|8.911568|6.948527|5.094215|5.079927|6.556492|46.713765|6.226239|4.860113|0.088802|0.091309|0.110645|0.091181|0.070444|0.060894|0.064247|0.049972|0.052184|0.041645|0.045341|0.038614|0.042952|0.037481|0.037711|0.040884|0.044836|0.048908|0.043273|0.082363|0.122171|0.174653|0.304948|0.500000| |3.877760|2.513150|2.582423|2.970934|3.437264|7.011880|3.906226|0.089159|3.935257|3.344656|3.078366|3.207681|4.940925|2.655673|2.247731|2.703799|1.793696|1.622800|1.539385|1.667543|1.851980|3.713382|4.210512|4.436248|0.107728|6.709470|8.768348|17.499554|8.777320|6.975884|6.513196|5.680317|25.098764|3.284667|2.774892|0.059138|0.064820|0.081016|0.084493|0.075237|0.071153|0.081897|0.060262|0.062908|0.047562|0.051607|0.042201|0.046288|0.041007|0.040167|0.043992|0.047714|0.054770|0.049043|0.100186|0.125468|0.197593|0.209292|0.173603|0.500000| |4.415823|2.867049|2.954994|3.345689|3.752916|7.168138|3.664331|0.085138|3.445327|2.871299|2.604018|2.699405|4.191374|2.287317|1.959877|2.406877|1.599274|1.468956|1.413925|1.536689|1.683914|3.154890|3.668697|4.050493|0.095089|5.452887|8.977280|17.528848|8.902687|5.491543|4.682700|4.601268|25.467199|3.585129|3.110201|0.066843|0.074179|0.090206|0.073800|0.064125|0.062961|0.069156|0.052992|0.054044|0.042552|0.045468|0.038253|0.041874|0.037737|0.037175|0.041013|0.044040|0.050046|0.044722|0.086552|0.115764|0.140934|0.226868|0.213952|0.304915|0.500000| |3.802687|2.374558|2.336908|2.518512|2.813428|5.187270|2.849424|0.069322|2.693012|2.401500|2.215000|2.237959|3.583678|1.943918|1.721480|2.124243|1.443953|1.329986|1.269831|1.354533|1.474106|2.464618|2.730924|3.329407|0.083429|4.405352|5.510142|8.843323|17.529369|8.911267|5.472675|4.641760|22.129027|2.884025|2.615811|0.059243|0.059380|0.066782|0.063845|0.056365|0.052525|0.058429|0.046659|0.048379|0.038682|0.041444|0.035065|0.037810|0.034075|0.033499|0.036083|0.038583|0.043038|0.039473|0.067005|0.080542|0.112698|0.125796|0.148194|0.200354|0.228896|0.500000| |4.483156|2.848804|2.714585|2.916043|3.387207|6.062601|3.358997|0.081514|2.993288|2.638610|2.348653|2.305281|3.620863|1.923280|1.695369|2.119175|1.440605|1.339705|1.277055|1.362681|1.467970|2.526381|2.902243|4.198731|0.102391|5.631669|7.177812|8.902296|17.522736|8.821179|6.216026|6.217371|29.526870|3.664539|3.281903|0.070699|0.067228|0.074726|0.071493|0.059549|0.052223|0.056796|0.045391|0.047566|0.038256|0.041411|0.035279|0.038435|0.034032|0.033868|0.036226|0.039178|0.042852|0.038955|0.066916|0.085152|0.128961|0.146519|0.222953|0.174337|0.204412|0.305512|0.500000| |3.276418|2.044152|2.012358|2.194400|2.495227|4.769865|2.798194|0.068528|2.765750|2.584210|2.432016|2.425108|3.929247|2.096359|1.873460|2.285984|1.570435|1.431641|1.344075|1.418125|1.553178|2.570327|2.753538|3.342848|0.088873|4.531802|4.616039|6.248237|8.841293|17.518275|8.917611|5.457326|20.862833|2.559431|2.278859|0.051312|0.051158|0.058678|0.069133|0.062830|0.055149|0.063379|0.050394|0.053837|0.042036|0.045787|0.037921|0.040713|0.036056|0.035295|0.037371|0.040284|0.044812|0.041585|0.068803|0.077210|0.124711|0.106452|0.115001|0.185233|0.139302|0.227712|0.175799|0.500000| |3.540334|2.198035|2.102402|2.251486|2.588829|4.780920|2.821908|0.070308|2.657455|2.489576|2.280682|2.210901|3.554846|1.873702|1.684352|2.095428|1.447688|1.339337|1.260142|1.325222|1.430443|2.322733|2.547537|3.524018|0.094159|4.612372|4.582756|5.474182|8.894904|17.519899|8.848100|6.288296|23.574774|2.776383|2.506672|0.056306|0.052982|0.058852|0.068508|0.059334|0.049796|0.055443|0.045020|0.048202|0.038578|0.042150|0.035576|0.038342|0.033684|0.033360|0.034996|0.037886|0.041182|0.038132|0.061271|0.071392|0.116150|0.101963|0.124296|0.140227|0.124108|0.206473|0.226705|0.304923|0.500000| |3.475534|2.224242|2.212783|2.497930|2.961788|6.001804|3.790904|0.089886|3.906770|3.703547|3.419076|3.310938|5.159200|2.630181|2.285252|2.763092|1.877956|1.697763|1.570292|1.665123|1.835509|3.450987|3.748752|4.743114|0.130440|7.191989|5.751169|6.344957|6.264321|8.824775|17.526172|8.876643|25.681993|2.992533|2.530174|0.054078|0.055387|0.066920|0.097841|0.086582|0.067944|0.079295|0.059894|0.066284|0.049403|0.055442|0.044575|0.048862|0.041625|0.041039|0.043285|0.047795|0.053026|0.048348|0.088083|0.099843|0.229106|0.131777|0.129375|0.207731|0.130916|0.138464|0.141863|0.226085|0.175483|0.500000| |3.362732|2.116678|2.048885|2.247785|2.647362|5.111594|3.240809|0.080642|3.178240|3.124959|2.865202|2.685779|4.285503|2.184038|1.956706|2.420695|1.678582|1.541806|1.424662|1.490536|1.615257|2.716498|2.939477|4.174773|0.120847|5.521365|4.460018|4.681213|5.464123|8.927463|17.531268|8.862597|25.088439|2.800404|2.437420|0.053191|0.051369|0.059240|0.087143|0.075284|0.056816|0.064301|0.051359|0.056996|0.044276|0.049684|0.040926|0.044486|0.037819|0.037571|0.038856|0.042805|0.046165|0.042686|0.069542|0.078442|0.150780|0.102053|0.112172|0.133884|0.103300|0.124243|0.137109|0.208946|0.226938|0.305833|0.500000| |4.525495|2.939285|2.739371|3.005389|3.753904|6.901870|4.345644|0.106581|3.705600|3.387586|2.870701|2.648869|4.070657|2.072080|1.823204|2.301679|1.573368|1.471443|1.382018|1.465557|1.566258|2.788309|3.262849|6.605788|0.172372|8.751657|6.782988|5.691985|6.446344|6.993710|8.780744|17.528712|44.910725|4.327063|3.623592|0.072348|0.066313|0.075622|0.096349|0.073205|0.055613|0.059938|0.047750|0.051716|0.041203|0.045801|0.038753|0.042817|0.036442|0.036764|0.038516|0.042615|0.045358|0.041029|0.070429|0.089987|0.174448|0.138885|0.195141|0.136498|0.124143|0.132636|0.202851|0.140487|0.187651|0.174442|0.199694|0.500000| |4.021757|2.609320|2.495354|2.795788|3.497443|6.846371|4.769164|0.118058|4.338547|4.257242|3.549230|3.123211|4.744605|2.335482|2.049575|2.582676|1.770615|1.648597|1.524660|1.609404|1.723905|3.151158|3.626702|7.374111|0.241355|8.890806|5.458992|4.594707|4.648577|5.505845|8.926086|17.520971|39.685741|3.834477|3.147152|0.063679|0.060937|0.071964|0.125031|0.091293|0.061606|0.066992|0.052819|0.058902|0.045920|0.052231|0.043373|0.048367|0.039946|0.040443|0.041818|0.047014|0.049590|0.044805|0.077196|0.094363|0.212279|0.123964|0.139203|0.123852|0.102141|0.102794|0.128997|0.124453|0.140873|0.203262|0.231674|0.304670|0.500000| 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