Version2.4 2021-06-08T00:28:49Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 26-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)CCOc1ccc(cc1OC)[C@@H]2C(=C(C(=O)N2CCCO)[O-])C(=O)c3cc4ccccc4o3 C40053116 RHF 6-31G(d) (6D,7F) CC(C)CCOc1ccc(cc1OC)[C@@H]2C(=C(C(=O)N2CCCO)[O-])C(=O)c3cc4ccccc4o3 C01[X(C28H30N1O7)] 192 C1 600 OCCCN1[C@H](c2ccc(c(c2)OC)OCCC(C)C)C(=C(C1=O)[O-])C(=O)c1cc2c(o1)cccc2 OCCCN1[C@H](c2ccc(c(c2)OC)OCCC(C)C)C(=C(C1=O)[O-])C(=O)c1cc2c(o1)cccc2 COc1cc(ccc1OCCC(C)C)[C@H]2N(CCCO)C(=O)C(=C2C(=O)c3oc4ccccc4c3)[O-] InChIKey=JTXLUPXBXIWQOZ-RUZDIDTESA-M InChI=1S/C28H31NO7/c1-17(2)11-14-35-21-10-9-19(16-22(21)34-3)25-24(27(32)28(33)29(25)12-6-13-30)26(31)23-15-18-7-4-5-8-20(18)36-23/h4-5,7-10,15-17,25,30,32H,6,11-14H2,1-3H3/p-1/t25-/m1/s1 InChI=1/C28H31NO7/c1-17(2)11-14-35-21-10-9-19(16-22(21)34-3)25-24(27(32)28(33)29(25)12-6-13-30)26(31)23-15-18-7-4-5-8-20(18)36-23/h4-5,7-10,15-17,25,30,32H,6,11-14H2,1-3H3/p-1/t25-/m1/s1/fC28H30NO7/h32h/q-1 CC(C)CCOc1ccc(cc1OC)[C@@H]2C(=C(C(=O)N2CCCO)[O-])C(=O)c3cc4ccccc4o3 C01[X(C28H30N1O7)] 192 C01 600 OCCCN1[C@H](c2ccc(c(c2)OC)OCCC(C)C)C(=C(C1=O)[O-])C(=O)c1cc2c(o1)cccc2 OCCCN1C(=O)[C]([C]([C](=O)C2=[CH][C]3[C]([CH][CH][CH][CH]3)O2)[C@H]1[C]1[CH][CH][C]([C]([CH]1)OC)OCCC(C)C)=O CO[C]1[CH][C]([CH][CH][C]1OCCC(C)C)[C@@H]2[C](C(=O)C(=O)N2CCCO)C(=O)C3=C[C]4[CH][CH][CH][CH][C]4O3 InChIKey=WGJDGVQBWVTPIG-RUZDIDTESA-N InChI=1S/C28H30NO7/c1-17(2)11-14-35-21-10-9-19(16-22(21)34-3)25-24(27(32)28(33)29(25)12-6-13-30)26(31)23-15-18-7-4-5-8-20(18)36-23/h4-5,7-10,15-17,25,30H,6,11-14H2,1-3H3/t25-/m1/s1 InChI=1/C28H30NO7/c1-17(2)11-14-35-21-10-9-19(16-22(21)34-3)25-24(27(32)28(33)29(25)12-6-13-30)26(31)23-15-18-7-4-5-8-20(18)36-23/h4-5,7-10,15-17,25,30H,6,11-14H2,1-3H3/t25-/m1/s1 3854.2218393938 -1656.2654361 1-A 21244.1355 131 469 600 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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| 9.5320 14.3783 20.0352 23.7485 25.6675 30.8707 35.9902 48.0787 57.9848 63.5435 70.1387 77.5929 83.6517 96.9935 111.7694 123.4540 130.9047 133.1330 140.3753 153.2866 181.6855 189.9950 203.5647 224.5371 235.9707 245.5118 249.8307 264.7832 276.3990 279.5923 288.0538 309.7817 317.4090 325.0819 334.8881 357.1882 359.2982 379.3337 395.3372 399.4687 434.3944 444.7673 464.8004 479.5616 483.7443 500.2602 503.7121 522.2286 557.2258 575.8166 590.3343 627.3817 635.5402 637.3342 653.2144 670.0088 677.2644 687.9290 700.9200 774.0435 798.5032 808.7312 811.8116 830.7680 837.6546 842.2014 850.4898 856.8251 877.1055 887.2507 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1195.29 1205.20 1211.74 1223.67 1232.78 1261.96 1276.56 1293.92 1312.67 1320.72 1335.71 1369.07 1371.36 1384.42 1396.49 1447.66 1452.99 1464.28 1487.01 1494.23 1499.75 1505.01 1513.69 1553.93 1560.18 1565.25 1591.45 1598.10 1618.65 1647.95 1668.56 1682.52 1708.26 1720.23 1747.63 1759.19 1765.70 1777.56 1805.69 1824.93 1840.19 1860.98 1868.09 1877.49 1878.93 1884.41 1901.40 1921.84 1936.17 1943.36 1954.16 1972.84 1975.37 1991.70 2010.20 2013.53 2036.98 2047.83 2061.70 2074.01 2084.11 2086.09 2093.43 2095.66 2134.48 2158.42 2163.10 2186.43 2211.48 2242.08 2248.66 2263.07 2291.97 2293.06 2313.60 2322.70 2341.69 2348.03 2356.16 2357.04 2357.46 2358.81 2367.39 2371.63 2374.67 2375.86 2385.24 2393.19 2417.37 2420.40 2447.20 2536.05 2567.23 2578.10 2597.03 2602.87 2614.79 2803.86 2820.90 4548.38 4558.47 4578.75 4587.70 4590.21 4599.81 4616.09 4617.89 4631.23 4643.20 4644.09 4645.25 4670.16 4676.60 4686.00 4693.51 4700.90 4706.83 4708.95 4734.57 4761.45 4811.00 4834.98 4838.95 4854.12 4875.63 4884.55 4919.08 4991.17 5919.93 0.576474 0.609440 0.610384 0.505561 -1655.688963 -1655.655996 -1655.655052 -1655.759875 3.515781D-04 MUNgauss RevisionA2.1 retrievium 08-Jun-2021 DUDE CC(C)CCOc1ccc(cc1OC)[C@@H]2C(=C(C(=O)N2CCCO)[O-])C(=O)c3cc4ccccc4o3 C40053116 RHF 6-31G(d) (6D,10F) C1 492.202228 |X|Y|Z| 78.920642 107.811672 58.241441 79.133948 21 6 7 8 19 1 1 |36.858105| |12.425336|36.858105| |7.574735|12.435539|36.858105| |7.454787|12.406202|7.575792|36.858105| |6.081808|7.403265|4.886094|12.522446|36.858105| |4.318565|5.080638|3.927522|8.110082|13.632885|73.516695| |3.523149|3.864169|3.101560|5.235119|8.011447|24.987899|36.858105| |3.413559|3.569319|2.833059|4.404652|6.720473|13.993914|13.875381|36.858105| |2.759104|2.830477|2.344895|3.333618|4.500736|9.199150|7.911124|13.608573|36.858105| |2.412991|2.501696|2.138232|2.967728|3.775566|8.146746|6.792978|7.896055|13.883411|36.858105| |2.455916|2.604249|2.252780|3.200238|3.985301|9.388199|7.917036|6.911884|8.001600|13.585739|36.858105| |2.868673|3.126606|2.662166|4.078725|5.236414|14.442281|13.509433|7.942900|6.880047|7.867408|13.878481|36.858105| |2.786817|3.107427|2.742036|4.133244|4.784075|13.077046|8.145004|5.295633|4.624965|5.168148|7.895553|14.088342|73.516695| |2.335348|2.557394|2.334089|3.220202|3.545700|8.499330|5.248217|3.999448|3.815764|4.524936|6.783238|8.047032|24.231567|36.858105| |2.039537|2.089779|1.826343|2.397398|2.906443|5.955217|4.394472|4.975201|7.507737|12.443012|7.496687|4.993372|6.836572|3.688438|36.858105| |2.023792|2.046725|1.780572|2.304491|2.800501|5.529006|3.985569|4.789522|7.383845|8.980805|5.601300|4.194853|5.858493|3.104546|17.568085|0.500000| |1.873314|1.903466|1.690846|2.175650|2.556915|5.230854|3.680699|3.891147|5.109204|7.386730|6.201453|4.334880|6.381388|3.668933|12.521421|0.242018|36.858105| |1.689215|1.734867|1.565229|1.972171|2.263414|4.624564|3.143453|3.208547|3.961105|5.390742|5.106960|3.752794|5.852706|3.539705|7.897059|0.167444|13.419684|36.858105| |1.687936|1.755991|1.582343|1.991558|2.295249|4.682318|3.191407|3.292874|4.094293|5.498271|5.067857|3.758287|5.803741|3.433266|8.059092|0.172541|8.072509|12.376110|36.858105| |1.560175|1.632164|1.487048|1.835630|2.079058|4.198697|2.776888|2.824940|3.358656|4.209905|4.059255|3.219205|5.168595|3.100028|5.419513|0.127791|5.402980|7.732873|15.847699|73.516695| |1.867378|1.945170|1.724525|2.216826|2.625646|5.368681|3.803389|4.105989|5.501983|7.763568|6.160801|4.379229|6.348056|3.542490|13.027328|0.254502|8.186489|8.177270|14.097513|14.929976|53.358707| |1.869528|1.968559|1.743602|2.220032|2.628392|5.270962|3.654090|4.016918|5.144025|6.135756|5.033299|3.975958|5.849187|3.170134|7.450734|0.188808|5.112049|5.120508|7.804007|12.018040|18.011549|36.858105| |1.734734|1.801364|1.601413|1.981287|2.319148|4.475886|3.001545|3.391543|4.254327|4.583347|3.729347|3.113636|4.695615|2.540361|5.686556|0.170578|4.249800|4.213593|5.750463|9.549797|10.437798|12.439160|36.858105| |1.692094|1.771000|1.582758|1.920533|2.220434|4.201717|2.730402|3.054377|3.584766|3.642153|3.121733|2.756213|4.256480|2.282464|4.046385|0.119010|3.206621|3.198857|4.112869|7.293411|6.794696|7.548069|12.550248|36.858105| |1.571632|1.624976|1.459910|1.733716|1.982000|3.678762|2.348094|2.634801|3.046124|3.032255|2.611789|2.340911|3.662596|1.971287|3.390566|0.102924|2.809745|2.788994|3.398478|6.048096|5.330608|5.084144|8.001058|13.528459|73.516695| |1.556206|1.595674|1.457098|1.802160|2.027443|4.108456|2.707446|2.710501|3.198578|4.092549|4.088228|3.206235|5.235840|3.263916|5.281535|0.122580|7.878961|15.788086|7.977092|11.746190|7.505716|3.988430|3.445557|2.746015|4.359183|73.516695| |1.887782|1.884729|1.676745|2.143604|2.497009|5.034967|3.456177|3.628198|4.515866|5.791194|5.166219|3.955516|5.985681|3.429247|7.254675|0.176169|13.423298|7.623596|5.098811|6.969421|6.983076|3.758028|3.320788|2.646907|4.261394|11.094387|36.858105| |1.759202|1.753265|1.581149|1.984029|2.256141|4.525240|2.996077|3.043008|3.569252|4.369648|4.240460|3.440042|5.490705|3.257500|5.077657|0.126179|8.082244|6.475832|4.323761|6.265717|5.554613|3.132933|2.808149|2.304799|3.756736|11.234204|15.665114|73.516695| |2.055771|2.008599|1.762810|2.264899|2.677541|5.253769|3.600553|3.965270|4.930821|5.579893|4.680804|3.839276|5.698363|3.096399|6.150689|0.172139|7.494094|4.931454|3.918225|5.605080|5.795385|3.381780|3.101828|2.533389|4.149302|7.458295|12.583079|14.821656|36.858105| |2.100244|2.014157|1.774515|2.253396|2.619633|5.042325|3.319965|3.566860|4.078697|4.317230|3.900891|3.449511|5.314356|2.877823|4.362666|0.121915|5.033273|3.778843|3.104983|4.632887|4.497635|2.759088|2.562228|2.170636|3.602455|6.076102|7.444547|11.956473|14.217228|36.858105| |2.228863|2.089564|1.820969|2.292404|2.684714|4.972029|3.223108|3.613650|4.049304|3.924052|3.436223|3.157397|4.835670|2.542615|3.857859|0.114030|4.028088|3.130319|2.727901|4.142222|4.058288|2.597922|2.478124|2.137746|3.598334|5.010789|5.125593|8.067309|8.538990|13.191644|36.858105| |2.262852|2.069902|1.812125|2.221671|2.547647|4.573224|2.847000|3.146938|3.336534|3.148019|2.846719|2.724189|4.288269|2.246550|3.039064|0.089354|3.113671|2.548807|2.277265|3.542570|3.356641|2.215810|2.139050|1.894589|3.226960|4.169553|3.751281|6.216677|5.270221|7.234291|13.672734|36.858105| |2.311113|2.082784|1.813260|2.185418|2.507489|4.371400|2.688726|3.044631|3.190478|2.900695|2.585987|2.503664|3.934141|2.039147|2.795224|0.084062|2.755166|2.294206|2.110866|3.317922|3.147202|2.132946|2.099341|1.888301|3.255822|3.738917|3.151040|5.150985|4.201948|5.003836|7.980884|13.791232|36.858105| |2.321540|2.113527|1.821542|2.211003|2.586691|4.482569|2.804750|3.309655|3.562433|3.132368|2.690929|2.573923|3.966084|2.038728|3.045798|0.094964|2.887242|2.387005|2.241308|3.511099|3.412393|2.344575|2.350300|2.112192|3.667343|3.826632|3.188899|5.044775|4.234716|4.563865|6.872254|7.871985|13.625077|36.858105| |2.283081|2.132582|1.829184|2.277425|2.725302|4.844031|3.151527|3.851025|4.449419|3.872857|3.158254|2.919207|4.374021|2.245718|3.850324|0.125643|3.550231|2.832429|2.657868|4.081391|4.142804|2.805180|2.818893|2.463382|4.239243|4.429547|3.884964|5.860504|5.404150|5.313153|7.803864|6.742126|7.866458|13.777892|36.858105| |2.241999|2.122779|1.830866|2.323330|2.784141|5.135578|3.425015|4.079363|4.893252|4.543137|3.681356|3.294499|4.886166|2.536002|4.584736|0.146055|4.448887|3.361585|3.014790|4.520181|4.659124|3.000409|2.914339|2.474617|4.170913|5.203889|5.254957|7.634169|8.738470|8.480221|13.697692|7.944585|6.980069|8.088370|13.782624|36.858105| |2.129550|2.069202|1.793738|2.304141|2.776097|5.309792|3.675263|4.361034|5.762733|5.873362|4.446550|3.704058|5.362592|2.823328|6.545823|0.216743|6.397135|4.380763|3.816959|5.495290|6.018998|3.655573|3.479613|2.820713|4.659659|6.473158|7.582942|9.649629|13.961560|8.540086|8.489559|5.377236|4.690175|5.241138|7.835079|14.185930|73.516695| |17.564460|8.709054|5.484254|6.684182|6.664942|8.103111|3.845674|3.893854|3.099945|2.636223|2.625899|3.041727|5.081872|2.377423|2.211394|0.061557|2.009148|1.789391|1.787343|2.915104|2.720772|2.000779|1.863802|1.809946|2.990958|2.907661|2.027646|3.324136|2.243286|2.289185|2.472461|2.514247|2.603174|2.646859|2.596011|2.515035|4.195607|0.500000| |17.522155|8.770334|6.786480|6.801162|5.466706|7.408035|3.411299|3.236079|2.652425|2.361384|2.432557|2.844548|4.995313|2.374091|2.002841|0.054895|1.868667|1.683767|1.662523|2.727201|2.481570|1.800933|1.665404|1.609502|2.659587|2.773435|1.906828|3.187298|2.080045|2.157204|2.278521|2.334792|2.353462|2.311684|2.254763|2.244446|3.773215|0.301752|0.500000| |17.534664|8.774332|7.005834|5.448271|4.617007|6.220482|2.963884|2.923989|2.437064|2.147951|2.167090|2.477047|4.288337|2.065275|1.850902|0.051344|1.706524|1.550166|1.553223|2.569167|2.326507|1.721107|1.615946|1.589461|2.648435|2.551567|1.718708|2.860563|1.866776|1.908068|2.033598|2.083796|2.153650|2.168181|2.110904|2.049425|3.449770|0.302479|0.301458|0.500000| |8.916992|17.481254|8.936479|8.901510|6.889075|8.468837|3.766364|3.597537|2.861936|2.497709|2.558180|3.026494|5.240902|2.437550|2.095334|0.057403|1.882786|1.721013|1.764031|2.925555|2.679126|2.024908|1.864937|1.857428|3.030672|2.802577|1.843104|3.028609|1.959580|1.941526|2.022540|1.992748|2.026195|2.091347|2.124457|2.089328|3.636506|0.213555|0.173559|0.212041|0.500000| |6.837068|8.771814|17.522992|6.843993|4.491113|6.711141|2.994460|2.699766|2.256431|2.084386|2.217588|2.621980|4.885141|2.362152|1.786177|0.048168|1.675089|1.551221|1.552499|2.590709|2.285120|1.677832|1.537475|1.506920|2.474097|2.581294|1.676699|2.833002|1.761949|1.791222|1.828700|1.828787|1.813747|1.797544|1.795913|1.813609|3.151466|0.139040|0.200416|0.172023|0.173713|0.500000| |5.490579|8.755935|17.543969|6.930372|4.595156|6.903843|3.063499|2.757265|2.296575|2.117901|2.253978|2.672166|4.973183|2.390792|1.811718|0.048771|1.674202|1.563951|1.593511|2.678512|2.357603|1.762977|1.610688|1.601413|2.612926|2.591541|1.644464|2.758658|1.707517|1.702917|1.729865|1.704109|1.696727|1.712732|1.737589|1.747745|3.080853|0.122372|0.138985|0.142200|0.213514|0.301575|0.500000| |6.933112|8.757934|17.533993|5.489790|4.030444|5.838939|2.703309|2.539160|2.141522|1.950159|2.025871|2.342565|4.237452|2.064444|1.689568|0.046118|1.566738|1.454067|1.471610|2.467916|2.177951|1.624404|1.509567|1.501189|2.483004|2.413189|1.556017|2.613528|1.640492|1.654693|1.710745|1.716823|1.735286|1.746564|1.739315|1.723227|2.983533|0.141795|0.168114|0.211499|0.213509|0.301450|0.301369|0.500000| |5.469878|8.842433|7.111909|17.543649|9.000356|13.534513|4.988845|4.079546|3.164861|2.888018|3.177434|4.077067|7.656791|3.363741|2.346919|0.062066|2.128150|1.959187|2.001442|3.310133|3.016635|2.241454|1.983160|1.938313|3.088570|3.191928|2.067442|3.412803|2.140530|2.103959|2.109562|2.024537|1.982666|2.014623|2.095526|2.148517|3.851589|0.137532|0.140343|0.122949|0.212286|0.174726|0.215017|0.143584|0.500000| |6.818307|8.807444|6.833687|17.523359|8.927328|13.016050|4.915907|4.048505|3.153163|2.878446|3.160279|4.034272|7.550760|3.347392|2.341119|0.062110|2.170807|1.966519|1.953674|3.194567|2.923046|2.111325|1.881688|1.804072|2.906053|3.219452|2.172896|3.616051|2.296781|2.322218|2.342378|2.283900|2.214432|2.196178|2.244346|2.322213|4.077091|0.165980|0.203523|0.140041|0.173825|0.202276|0.168961|0.139687|0.303836|0.500000| |6.617115|6.591133|4.420625|8.786172|17.550963|16.596853|7.201134|6.863930|4.647045|3.792565|3.861903|4.837981|7.618284|3.285212|2.940867|0.079971|2.607262|2.266734|2.260314|3.608721|3.520465|2.548914|2.283188|2.161638|3.471380|3.607600|2.603523|4.169701|2.880490|2.872567|3.019210|2.903634|2.876596|2.951166|3.065985|3.109818|5.354970|0.226705|0.169965|0.136076|0.165870|0.116442|0.110631|0.105116|0.174454|0.214117|0.500000| |5.536690|6.839324|4.577820|8.840060|17.500906|16.532929|7.043122|6.771482|4.575626|3.722129|3.779608|4.724179|7.459979|3.212028|2.899485|0.078714|2.492080|2.219540|2.297731|3.722127|3.624337|2.744666|2.444293|2.384002|3.773283|3.516277|2.390655|3.811300|2.554145|2.458338|2.542300|2.406869|2.411843|2.547142|2.705237|2.703651|4.816310|0.173049|0.130166|0.123897|0.208934|0.111641|0.122675|0.109018|0.211675|0.174019|0.301288|0.500000| |3.879212|3.967266|3.036197|4.690999|7.474222|12.537906|8.949213|17.750777|8.914494|5.649339|4.975052|5.636159|7.584845|3.332563|4.076138|0.114329|3.286724|2.763210|2.840256|4.424208|4.719780|3.496686|3.105813|2.888023|4.532958|4.228838|3.133525|4.763855|3.504132|3.253466|3.445809|3.115500|3.125353|3.455469|3.911739|3.906654|7.018944|0.128411|0.099040|0.091878|0.113672|0.079019|0.080764|0.076238|0.116493|0.115687|0.227300|0.229354|0.500000| |2.619132|2.632702|2.191003|2.982017|3.911448|7.439918|5.651477|8.909288|17.715109|8.962176|5.662662|4.955708|6.520925|3.148842|6.946063|0.226533|4.754380|3.706290|3.855245|5.687756|7.034564|5.015886|4.538532|3.811361|5.902336|5.362555|4.268819|5.999432|4.867347|4.011582|4.191671|3.462308|3.422000|4.022021|5.288509|5.465460|11.259767|0.082578|0.069467|0.065302|0.074814|0.058333|0.059285|0.056412|0.078197|0.078066|0.114724|0.113465|0.216896|0.500000| |2.190674|2.319093|2.053901|2.803673|3.326834|7.576912|5.629895|4.977155|5.700154|8.953569|17.776938|8.957878|12.588497|7.579534|7.058526|0.141949|6.839345|6.143273|5.832466|8.214651|8.654874|4.875752|3.596750|2.984989|4.460010|8.764701|5.481178|8.292787|4.501320|3.745160|3.188306|2.648731|2.382799|2.448710|2.844405|3.338531|7.227384|0.064211|0.060762|0.054293|0.063081|0.056600|0.057399|0.051587|0.078257|0.077969|0.089544|0.087705|0.107986|0.124841|0.500000| |2.236749|2.387232|2.175855|2.948410|3.265645|7.549538|4.790187|3.834201|3.791710|4.621382|6.813531|7.107741|16.435914|17.565366|3.875818|0.089807|4.088972|3.896853|3.562299|5.605088|4.894687|3.092071|2.507971|2.214255|3.434297|6.466407|3.955291|6.831839|3.484806|3.254324|2.781056|2.425707|2.158676|2.133386|2.355399|2.720601|5.431513|0.063704|0.063787|0.055121|0.062925|0.061622|0.061036|0.053924|0.083189|0.086274|0.087075|0.081864|0.088884|0.087673|0.227949|0.500000| |2.147832|2.357798|2.160256|2.901467|3.209883|7.456606|4.724228|3.785817|3.751186|4.583079|6.773452|7.027060|16.430372|17.555810|3.869685|0.089019|3.804989|3.841407|3.880475|6.331966|5.351227|3.533543|2.755350|2.469791|3.737758|6.272901|3.390839|5.681310|2.979327|2.703116|2.394695|2.106100|1.928622|1.951681|2.168642|2.433017|4.891906|0.060934|0.059894|0.053343|0.063553|0.060011|0.061932|0.053610|0.085080|0.081665|0.082265|0.083577|0.087811|0.086795|0.228861|0.299589|0.500000| |2.295852|2.537443|2.373274|3.184724|3.336487|7.742444|4.403800|3.417334|3.196663|3.620821|4.930402|5.889767|17.017393|17.622947|3.050075|0.073360|3.055171|2.990147|2.910362|4.795398|4.035256|2.719683|2.238595|2.049934|3.184718|5.033681|2.917683|5.038829|2.680704|2.551968|2.285305|2.061165|1.881645|1.867310|2.023951|2.255530|4.371849|0.063816|0.065349|0.056620|0.066555|0.067481|0.068148|0.058084|0.094017|0.093569|0.085219|0.083476|0.082006|0.075287|0.147501|0.299584|0.299865|0.500000| |2.071232|2.201060|1.922738|2.505006|3.036500|6.125681|4.354835|4.921214|6.328997|7.048831|5.635164|4.583038|6.499721|3.369543|7.033631|0.180785|4.660758|4.379184|5.852505|9.020049|12.580809|17.556628|8.822392|6.889007|8.375979|6.192061|3.585934|5.301917|3.360092|2.780674|2.661572|2.283316|2.213662|2.446358|2.922799|3.088214|6.557305|0.061931|0.054941|0.052617|0.063371|0.051004|0.054058|0.049511|0.070343|0.065259|0.080866|0.089614|0.117121|0.166307|0.140507|0.089355|0.103065|0.079895|0.500000| |1.768382|1.880612|1.687445|2.120052|2.457914|4.951336|3.332508|3.494881|4.180621|4.950258|4.522768|3.699853|5.687322|3.166503|5.632216|0.139250|4.395039|4.752076|7.494568|13.694147|12.706566|17.600994|8.854501|6.922922|8.357143|6.906780|3.323251|5.106544|2.944157|2.461653|2.302837|1.993049|1.914711|2.075059|2.426651|2.590441|5.479478|0.051985|0.047399|0.045381|0.053717|0.045149|0.047800|0.043669|0.060278|0.056109|0.065351|0.071098|0.085384|0.110663|0.127420|0.084503|0.100956|0.076261|0.302245|0.500000| |1.592116|1.646147|1.478381|1.803436|2.078535|4.010477|2.649933|2.924226|3.593656|3.973051|3.349826|2.795101|4.311330|2.387340|5.124970|0.150742|4.194027|4.403109|6.104138|10.797590|9.523681|8.859240|17.569396|8.920752|12.868755|6.540952|3.281189|5.021563|2.988457|2.473586|2.363795|2.043330|1.992816|2.207879|2.624354|2.739846|5.823576|0.047242|0.042743|0.041361|0.047048|0.039653|0.041301|0.038812|0.050169|0.048016|0.057062|0.060135|0.074623|0.105131|0.092862|0.066220|0.072131|0.058839|0.173580|0.212607|0.500000| |1.799793|1.845623|1.626769|2.019160|2.389275|4.550131|3.073972|3.605788|4.681285|4.810977|3.715287|3.110127|4.618885|2.462467|6.064680|0.206664|4.397937|4.081677|5.087748|7.995507|9.396356|8.802183|17.543232|8.942012|13.103325|5.902092|3.517395|5.187514|3.412634|2.788801|2.749441|2.354760|2.333040|2.668890|3.283045|3.341660|7.144413|0.054252|0.047952|0.046560|0.053065|0.043381|0.045079|0.042692|0.055436|0.053275|0.066386|0.070011|0.092874|0.148462|0.097103|0.068237|0.072638|0.060281|0.210929|0.173356|0.302585|0.500000| |1.835572|1.933847|1.712970|2.095399|2.448457|4.594833|2.984588|3.391926|3.908004|3.796252|3.245323|2.933239|4.486768|2.353077|3.959391|0.116276|3.075473|2.984765|3.724279|6.433256|6.323016|6.939914|8.852307|17.476116|16.466120|4.548799|2.575927|3.975774|2.514469|2.173493|2.164655|1.929605|1.936732|2.176966|2.530202|2.512053|5.017770|0.054764|0.048062|0.047815|0.056919|0.044947|0.048206|0.045085|0.058824|0.054020|0.065726|0.074391|0.090214|0.115766|0.083931|0.062693|0.070240|0.058738|0.208386|0.172840|0.173993|0.211858|0.500000| |1.610351|1.699584|1.534922|1.846729|2.104700|4.013300|2.573298|2.788952|3.187896|3.320120|2.969921|2.643615|4.170685|2.270052|3.643664|0.102657|2.994496|3.093870|4.050715|7.604247|6.316863|6.868238|8.868174|17.492885|16.453463|4.810592|2.473852|3.892723|2.326395|2.011400|1.959294|1.745769|1.728304|1.904907|2.190214|2.223544|4.486831|0.047401|0.042659|0.042082|0.049426|0.040653|0.043440|0.040411|0.052308|0.048304|0.056363|0.062455|0.072831|0.091054|0.080530|0.060723|0.069183|0.056991|0.169375|0.206916|0.214515|0.174363|0.301318|0.500000| |1.530620|1.588050|1.433991|1.681430|1.904563|3.506524|2.204317|2.449102|2.756423|2.716188|2.389306|2.182527|3.455694|1.857700|2.949533|0.088049|2.486236|2.476843|2.972984|5.357490|4.575958|4.284324|5.933410|9.832876|35.792664|3.927527|2.153342|3.413112|2.106101|1.854842|1.859959|1.687092|1.709586|1.916066|2.180464|2.131758|4.166290|0.045334|0.040340|0.040506|0.046511|0.037853|0.040224|0.038254|0.046994|0.043890|0.051869|0.056952|0.066551|0.082566|0.063753|0.050270|0.054961|0.047294|0.114061|0.114375|0.151831|0.152433|0.228108|0.231401|0.500000| |2.012849|1.934663|1.726360|2.167291|2.465107|4.772184|3.066862|3.164725|3.491507|3.763285|3.605822|3.252932|5.198541|2.884163|3.772664|0.102098|4.494092|3.568935|2.894247|4.387950|4.066311|2.505381|2.311888|1.981235|3.289346|5.967313|6.598773|12.467435|8.909419|17.831305|8.389117|6.102496|4.285619|3.780603|4.144598|5.787709|10.409724|0.060137|0.058058|0.050885|0.051394|0.048839|0.046079|0.044674|0.056453|0.062868|0.074444|0.063633|0.080299|0.093375|0.099111|0.092378|0.074486|0.071911|0.069789|0.063320|0.062587|0.068601|0.054962|0.051643|0.047359|0.500000| |2.191444|1.999059|1.772233|2.141403|2.402857|4.322513|2.637076|2.822953|2.929341|2.820122|2.634724|2.554748|4.118857|2.182045|2.715473|0.078075|2.839411|2.377143|2.111702|3.315984|3.060516|2.021602|1.940154|1.731017|2.947143|3.959410|3.436377|5.936083|4.545705|6.377827|8.854014|17.707645|8.903165|5.609083|4.882990|5.635051|7.705491|0.066682|0.063722|0.056220|0.052968|0.050173|0.046225|0.046669|0.054273|0.061979|0.075615|0.062420|0.077322|0.082536|0.069093|0.065847|0.056432|0.056231|0.057658|0.051157|0.051828|0.058503|0.048865|0.044737|0.043027|0.170247|0.500000| |2.271687|2.019925|1.774242|2.084382|2.343283|4.029197|2.421353|2.692773|2.755615|2.516582|2.289277|2.250048|3.598689|1.871033|2.418420|0.071919|2.389150|2.034936|1.886851|3.002281|2.787770|1.911184|1.886768|1.721422|2.984703|3.354937|2.695117|4.495902|3.424682|4.024577|5.660441|8.942003|17.702510|8.898817|5.625714|5.006343|6.592180|0.070658|0.064625|0.059515|0.054440|0.049469|0.045886|0.047540|0.052442|0.058873|0.074516|0.062606|0.077636|0.081222|0.058997|0.054725|0.049117|0.048501|0.055088|0.048160|0.049926|0.057696|0.049103|0.044038|0.043871|0.100892|0.214936|0.500000| |2.288977|2.069762|1.787862|2.123727|2.459655|4.185034|2.574447|3.031647|3.201518|2.793304|2.420334|2.341361|3.642158|1.870655|2.716520|0.084648|2.544288|2.151604|2.057056|3.263964|3.128262|2.196549|2.233822|2.046978|3.599366|3.468285|2.737413|4.374073|3.456605|3.630548|4.950905|5.626574|8.891260|17.705804|8.947918|5.707824|7.458278|0.072672|0.062691|0.060212|0.057403|0.048727|0.046612|0.048069|0.053807|0.058100|0.077523|0.068244|0.089963|0.101036|0.061317|0.053802|0.049995|0.047950|0.063834|0.054317|0.058219|0.070385|0.058892|0.051232|0.052638|0.086558|0.123827|0.215776|0.500000| 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