Version2.0 2020-01-10T00:09:05Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 08-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(o1)CN([C@@H](c2ccc(cc2)Cl)C(=O)NC(C)(C)CC(C)(C)C)C(=O)c3ccccc3O C36595445 RHF 6-31G(d) (6D,7F) Cc1ccc(o1)CN([C@@H](c2ccc(cc2)Cl)C(=O)NC(C)(C)CC(C)(C)C)C(=O)c3ccccc3O C01[X(C29H35Cl1N2O4)] 207 C1 614 Clc1ccc(cc1)[C@H](N(C(=O)c1ccccc1O)Cc1ccc(o1)C)C(=O)NC(CC(C)(C)C)(C)C Clc1ccc(cc1)[C@H](N(C(=O)c1ccccc1O)Cc1ccc(o1)C)C(=O)NC(CC(C)(C)C)(C)C Cc1oc(CN([C@H](C(=O)NC(C)(C)CC(C)(C)C)c2ccc(Cl)cc2)C(=O)c3ccccc3O)cc1 InChIKey=XPIFTSHJIIJMHZ-VWLOTQADSA-N InChI=1S/C29H35ClN2O4/c1-19-11-16-22(36-19)17-32(27(35)23-9-7-8-10-24(23)33)25(20-12-14-21(30)15-13-20)26(34)31-29(5,6)18-28(2,3)4/h7-16,25,33H,17-18H2,1-6H3,(H,31,34)/t25-/m0/s1 InChI=1/C29H35ClN2O4/c1-19-11-16-22(36-19)17-32(27(35)23-9-7-8-10-24(23)33)25(20-12-14-21(30)15-13-20)26(34)31-29(5,6)18-28(2,3)4/h7-16,25,33H,17-18H2,1-6H3,(H,31,34)/t25-/m0/s1/f/h31H Cc1ccc(o1)CN([C@@H](c2ccc(cc2)Cl)C(=O)NC(C)(C)CC(C)(C)C)C(=O)c3ccccc3O C01[X(C29H35Cl1N2O4)] 207 C01 614 Clc1ccc(cc1)[C@H](N(C(=O)c1ccccc1O)Cc1ccc(o1)C)C(=O)NC(CC(C)(C)C)(C)C Clc1ccc(cc1)[C@H](N(C(=O)c1ccccc1O)Cc1ccc(o1)C)C(=O)NC(CC(C)(C)C)(C)C Cc1oc(CN([C@H](C(=O)NC(C)(C)CC(C)(C)C)c2ccc(Cl)cc2)C(=O)c3ccccc3O)cc1 InChIKey=XPIFTSHJIIJMHZ-VWLOTQADSA-N InChI=1S/C29H35ClN2O4/c1-19-11-16-22(36-19)17-32(27(35)23-9-7-8-10-24(23)33)25(20-12-14-21(30)15-13-20)26(34)31-29(5,6)18-28(2,3)4/h7-16,25,33H,17-18H2,1-6H3,(H,31,34)/t25-/m0/s1 InChI=1/C29H35ClN2O4/c1-19-11-16-22(36-19)17-32(27(35)23-9-7-8-10-24(23)33)25(20-12-14-21(30)15-13-20)26(34)31-29(5,6)18-28(2,3)4/h7-16,25,33H,17-18H2,1-6H3,(H,31,34)/t25-/m0/s1/f/h31H 4221.6106539705 -1986.3977258 1-A 19797.1332 136 478 614 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785.7390 789.0473 800.7021 816.8996 825.4676 861.2071 866.5720 895.1053 899.2318 911.5675 914.7508 940.9187 946.9784 950.7878 957.2183 969.7380 977.0638 984.0146 1007.5915 1012.7663 1020.7340 1029.2005 1048.6859 1058.4813 1060.3601 1073.8649 1081.6063 1085.8217 1095.2973 1102.7213 1108.7434 1109.7150 1111.8334 1114.7740 1125.9260 1126.3450 1136.0006 1137.2937 1152.1648 1167.8570 1175.0007 1194.5357 1200.7352 1209.3792 1229.5859 1261.3966 1267.0417 1270.2967 1285.6274 1296.6489 1311.4177 1315.7022 1318.7002 1334.0154 1344.2319 1351.3210 1361.2439 1367.7419 1373.0304 1376.8879 1396.0932 1398.6935 1426.7969 1435.6757 1455.3204 1465.8358 1480.2190 1485.1101 1514.4887 1523.1309 1533.5429 1554.9582 1558.2719 1559.9002 1561.3511 1572.3521 1575.2288 1578.4078 1589.8402 1594.7284 1618.9382 1622.8624 1627.5044 1630.1998 1634.3511 1636.6545 1637.5043 1638.8629 1639.3888 1646.1885 1650.9606 1658.2014 1659.7799 1660.8999 1669.7711 1673.9679 1674.5671 1718.4479 1759.8748 1768.6783 1776.0124 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2.9519 1.6785 1.5153 1.2446 2.3631 2.4590 4.0731 3.2020 1.9911 1.4336 1.7643 1.3604 1.4326 2.5951 2.5314 1.3134 1.3732 2.0995 2.0573 1.3968 1.4567 1.4881 2.4091 2.4999 3.2053 1.9071 2.3732 1.6942 2.2593 2.1147 2.6234 1.6145 1.5549 1.8367 2.6000 1.7444 2.2807 2.3483 1.9922 2.4983 3.0096 2.6249 2.5548 2.9476 1.6431 1.6682 1.9973 1.6347 1.3785 1.5610 1.6347 1.4010 1.2843 1.2678 1.2794 1.3731 2.2671 1.5800 1.2941 1.2339 1.7682 1.0440 1.0752 2.5937 1.0582 1.0554 1.1095 1.0581 1.0604 1.1215 1.0629 1.0521 1.0573 2.4008 1.0656 1.0573 1.8153 1.1880 1.6909 7.9573 6.1376 4.9426 5.3012 5.6880 6.3827 9.9427 8.8931 1.0654 1.0418 1.0394 1.0375 1.0418 1.0429 1.0454 1.0925 1.0972 1.1029 1.1027 1.1026 1.1017 1.1023 1.0635 1.1004 1.1020 1.1009 1.0957 1.0846 1.0992 1.1006 1.1028 1.0913 1.0880 1.0910 1.0915 1.0956 1.0971 1.0953 1.0954 1.0974 1.1001 1.0781 1.0660 0.0002 0.0009 0.0013 0.0034 0.0022 0.0033 0.0043 0.0052 0.0067 0.0063 0.0114 0.0313 0.0418 0.0329 0.0488 0.0554 0.0517 0.0173 0.0562 0.0883 0.1221 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14.5204 11.3121 9.1854 10.1877 11.0298 12.6015 21.0750 19.8292 6.3596 6.2526 6.2649 6.2865 6.3240 6.3352 6.4191 6.7424 6.8211 6.8856 6.9078 6.9084 6.9281 6.9410 6.7055 6.9972 7.0434 7.0374 7.0830 7.0200 7.1196 7.1878 7.2069 7.2805 7.2598 7.3248 7.3456 7.4342 7.4731 7.4776 7.4834 7.6116 7.7772 9.6419 9.8837 0.1580 0.1010 0.0550 0.1450 0.0469 0.6038 0.5670 0.5725 0.2656 0.2410 0.6747 6.0427 0.9401 3.4758 1.7598 2.1205 0.0302 0.1085 0.5748 0.8873 3.5944 1.5632 1.3957 1.0893 0.2153 0.3092 2.0305 1.9665 0.1297 1.9181 10.1405 2.9622 0.5678 0.7755 3.9583 1.2410 0.2547 2.3330 6.9574 9.9515 0.8294 2.3201 6.9074 7.6167 1.9373 6.5966 0.7349 47.2822 6.0201 39.4789 10.7174 12.4518 5.4379 11.7359 22.5916 8.2633 11.8566 1.3832 106.2723 4.9351 5.1259 3.9206 4.3695 36.8425 1.3215 8.5709 8.4480 3.8121 2.9384 9.2059 9.3880 123.2259 21.2367 26.1200 30.7994 29.2342 27.7624 8.7910 2.3310 1.0579 0.6818 24.7508 13.0743 4.2719 3.6666 19.5369 1.8671 0.2442 0.4489 3.0083 11.9993 4.4147 25.6509 26.0781 0.7975 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0.637019 0.670852 0.671796 0.567160 -1985.760706 -1985.726874 -1985.725930 -1985.830565 3.509475D-04 MUNgauss RevisionA2.0 retrievium 10-Jan-2020 DUDE Cc1ccc(o1)CN([C@@H](c2ccc(cc2)Cl)C(=O)NC(C)(C)CC(C)(C)C)C(=O)c3ccccc3O C36595445 RHF 6-31G(d) (6D,10F) C1 510.228536 |X|Y|Z| 99.436534 77.230542 62.808711 78.424480 21 6 7 8 19 1 1 |36.858105| |12.788466|36.858105| |7.321982|14.206529|36.858105| |5.138334|8.555568|13.220326|36.858105| |5.334449|8.732945|8.588976|14.228635|36.858105| |7.885856|14.135903|8.659810|8.640724|14.113385|73.516695| |3.947002|5.331450|5.136298|7.293151|12.712057|14.024451|36.858105| |3.239397|4.177394|4.293985|6.025680|7.720090|9.530623|13.010847|53.358707| |2.638836|3.246615|3.375747|4.469742|5.149778|6.984941|7.598452|17.803993|36.858105| |2.405937|2.897086|3.021841|3.855893|4.262275|6.047568|5.645374|12.664958|17.671969|0.500000| |2.449557|2.906050|2.897839|3.610066|4.294368|6.314816|6.387382|10.423358|12.439043|0.251495|36.858105| |2.271209|2.615425|2.555459|3.053602|3.613003|5.624202|5.009088|8.054897|7.575802|0.203384|13.696085|36.858105| |2.081104|2.332124|2.246836|2.598631|3.041956|4.943360|3.988556|5.802428|5.009049|0.133715|7.880112|13.774746|36.858105| |2.038306|2.272124|2.187634|2.513151|2.923118|4.785790|3.770192|5.146943|4.420309|0.112326|6.854894|7.985869|13.771214|36.858105| |2.160791|2.449834|2.385381|2.788916|3.240778|5.178464|4.248836|5.607185|4.962462|0.118266|7.886556|6.890415|7.924561|13.791536|36.858105| |2.375845|2.784473|2.764466|3.375051|3.959521|5.977549|5.554919|7.562291|7.420740|0.158867|13.715753|7.980042|6.880420|7.977119|13.749632|36.858105| |1.799104|1.951036|1.866423|2.079627|2.369168|4.009436|2.876892|3.853035|3.148437|0.082452|4.214497|4.775180|7.039767|10.941478|7.043061|4.772157|448.794386| |2.503484|3.089704|3.363985|4.508178|4.692090|6.323232|5.932420|10.453657|12.364190|0.251550|7.423386|5.017097|3.854351|3.699165|4.387316|6.394013|22.337595|36.858105| |2.743015|3.478853|3.958416|5.581065|5.376218|6.959724|6.115664|9.462401|7.931960|0.172294|5.475572|3.994630|3.232069|3.174703|3.767465|5.161252|19.935307|15.856891|73.516695| |2.128210|2.537643|2.733699|3.441971|3.525290|5.062127|4.249894|7.067551|7.882662|0.205744|6.288903|4.639224|3.725160|3.622738|4.247921|5.779724|22.289445|14.147194|15.000262|53.358707| |1.933279|2.269952|2.473015|3.014219|2.972447|4.389446|3.358695|5.196492|4.947259|0.132199|4.320281|3.459754|2.977307|2.991624|3.487750|4.337395|19.483728|7.546603|11.595931|17.561865|36.858105| |1.958338|2.288447|2.479747|2.982779|2.948820|4.410074|3.290095|4.726551|4.260734|0.107230|3.994610|3.172529|2.835269|2.985429|3.632002|4.423348|19.773186|6.150196|10.726308|10.550968|12.381208|36.858105| |1.942703|2.288839|2.563217|3.108457|2.921796|4.309447|3.128467|4.853453|4.248276|0.116634|3.513082|2.917819|2.512550|2.479585|2.807069|3.406749|16.546844|6.192378|11.094359|10.500314|12.423118|7.619239|36.858105| |1.687777|1.937278|2.071513|2.444988|2.447642|3.732289|2.763836|4.249376|3.978829|0.112125|3.761103|3.221686|2.874897|2.891964|3.257203|3.784486|19.371072|5.071474|7.712963|10.610224|12.276278|7.678163|7.364156|36.858105| |1.569327|1.784917|1.902624|2.215963|2.214426|3.417374|2.475252|3.886409|3.553458|0.106393|3.321402|3.010972|2.689893|2.615508|2.806269|3.175281|17.839255|4.162449|6.356646|7.885491|6.913644|4.784283|5.816815|12.231972|36.858105| |1.644754|1.878301|1.992330|2.339043|2.365938|3.632213|2.687445|4.403623|4.117252|0.132723|3.750368|3.496866|3.019076|2.807810|2.927614|3.357422|18.749177|4.507664|6.580184|8.274513|5.810411|4.049725|5.090365|7.343781|12.396483|36.858105| |1.421616|1.593390|1.674913|1.915713|1.936352|3.048634|2.162998|3.312806|2.961418|0.087567|2.929636|2.755199|2.567838|2.531873|2.662610|2.871780|17.851109|3.287369|5.107481|5.807901|4.804196|3.891989|4.052018|7.712604|12.359917|7.651967|36.858105| |1.496452|1.694337|1.826139|2.099489|2.050785|3.185841|2.221482|3.448063|2.998324|0.089142|2.731052|2.494179|2.241067|2.179165|2.327574|2.614103|15.170286|3.521733|5.710246|6.099911|5.540704|4.103890|5.812348|7.401977|12.378092|7.601024|7.678724|36.858105| |3.220468|4.033112|4.072276|5.255432|6.347601|8.870953|7.930003|18.927865|7.739767|0.212339|5.564028|5.162097|3.848926|3.290471|3.375726|4.166766|20.609266|5.292418|8.731428|5.564803|3.175985|2.848578|3.076527|2.716410|2.596182|3.008559|2.240681|2.350448|36.858105| |3.622835|4.446255|4.205693|5.028308|6.367099|10.035337|7.174364|11.554825|5.450413|0.146248|4.560570|4.479414|3.570259|3.079253|3.096152|3.639966|19.872200|4.072758|6.988863|4.475286|2.668828|2.466872|2.595348|2.330420|2.233878|2.539506|1.972391|2.045596|15.764957|73.516695| |2.680027|3.227727|3.375554|4.159372|4.454367|6.551966|5.042577|10.490678|6.403412|0.215959|4.630589|4.491806|3.422297|2.904881|2.931584|3.529328|18.651602|4.861042|7.817015|5.520432|3.198208|2.744083|3.192131|2.797526|2.790076|3.367846|2.374606|2.558190|12.743620|14.445879|36.858105| |2.477244|2.992080|3.274015|4.082901|4.046458|5.843423|4.384704|8.674703|6.058962|0.208067|4.205593|3.868663|3.024388|2.655792|2.748230|3.339191|17.238333|5.376918|8.760786|6.253579|3.676610|3.021273|3.868333|3.149352|3.185027|3.886580|2.608483|2.985286|7.541607|9.580815|13.634444|36.858105| |2.142119|2.505667|2.727654|3.227528|3.148526|4.761092|3.330881|5.970600|4.416769|0.150111|3.391959|3.242579|2.642494|2.334718|2.381539|2.795812|15.576784|4.162723|6.843058|5.315833|3.330272|2.712583|3.600754|2.995362|3.193859|3.976866|2.626147|3.101740|5.021944|7.205178|7.878800|13.834145|36.858105| |2.000494|2.283469|2.420610|2.769239|2.768140|4.338709|2.936678|5.082358|3.711207|0.125004|3.048862|3.069677|2.555506|2.224675|2.210859|2.522315|15.092702|3.353488|5.489771|4.359294|2.767028|2.317201|2.896197|2.587165|2.800795|3.489738|2.401072|2.707759|4.459745|6.817672|6.859372|7.983992|13.681452|36.858105| |2.100499|2.379971|2.458731|2.788578|2.881151|4.595504|3.098895|5.355036|3.764408|0.125789|3.180312|3.330983|2.765299|2.352762|2.291990|2.588412|15.941465|3.203970|5.218100|4.071887|2.538326|2.179248|2.573674|2.375051|2.515252|3.091194|2.209807|2.374408|5.044786|8.018361|7.894546|6.888082|7.910211|13.835292|36.858105| |2.421983|2.794773|2.846597|3.296926|3.531549|5.563878|3.897753|7.052175|4.621091|0.153506|3.809010|4.003694|3.201347|2.675684|2.607881|2.995282|17.698903|3.661632|5.931236|4.437067|2.675965|2.326452|2.661727|2.442648|2.502025|3.033326|2.191630|2.314040|7.634096|11.858625|13.623180|7.910055|6.826770|7.934448|13.673555|36.858105| |2.463924|2.773377|2.721958|3.057639|3.384667|5.586095|3.744126|6.283390|4.027980|0.126029|3.588524|3.958292|3.275877|2.703893|2.570647|2.868611|18.152686|3.164758|5.179650|3.849285|2.351479|2.102166|2.300609|2.171699|2.201658|2.608390|1.977558|2.028026|6.658180|12.520465|7.923356|5.214092|4.616863|5.295375|8.166444|14.245303|73.516695| |17.546616|8.922592|5.789865|4.474265|4.823045|12.432782|3.773421|4.132447|2.529899|0.063609|2.409731|2.234920|2.080582|2.068719|2.202195|2.387209|14.804163|2.408077|4.663970|2.809032|1.883176|1.934744|1.869654|1.651817|1.526301|1.588737|1.392541|1.448761|2.946774|5.818817|2.453201|2.272419|1.975365|1.849843|1.940732|2.226795|4.047499|0.500000| |17.551243|8.929493|5.797591|4.478389|4.830118|12.439218|3.767698|4.319594|2.573070|0.066052|2.403524|2.276266|2.090865|2.021723|2.106035|2.296351|14.386454|2.385817|4.549998|2.779658|1.842284|1.844165|1.845022|1.625049|1.526193|1.613881|1.387982|1.452919|3.275166|6.802259|2.730557|2.471357|2.147462|2.037486|2.173285|2.520571|4.659186|0.301736|0.500000| |17.591059|8.983492|6.841082|4.617123|4.428554|10.205234|3.357828|3.899590|2.386792|0.061134|2.201733|2.043125|1.877705|1.842958|1.953731|2.142024|13.170494|2.311191|4.530955|2.707573|1.834589|1.859184|1.867990|1.606199|1.499030|1.562256|1.358459|1.443924|2.860254|5.591302|2.460704|2.322417|2.040012|1.904487|1.977338|2.238903|4.007162|0.300694|0.300630|0.500000| |6.328846|8.836059|17.788721|8.439181|5.849637|10.473537|4.028419|4.847366|2.929197|0.074379|2.532372|2.256883|2.005342|1.958866|2.126185|2.432906|13.608346|2.988730|6.240319|3.398371|2.314808|2.323579|2.447055|1.953885|1.805937|1.875837|1.592967|1.758652|3.439345|6.244414|3.001631|2.989859|2.565893|2.283463|2.288225|2.582689|4.367446|0.141171|0.141390|0.189950|0.500000| |4.029862|5.833641|8.417649|17.819112|8.862110|10.469485|6.316586|8.143931|4.735544|0.114423|3.652510|3.034012|2.556581|2.472361|2.765652|3.400888|16.356920|5.186072|12.386517|5.294240|3.438565|3.349197|3.673241|2.707724|2.438623|2.561549|2.067989|2.329909|5.082431|8.048275|4.298432|4.532804|3.555845|2.942033|2.871583|3.326280|5.297678|0.100158|0.100132|0.104914|0.192367|0.500000| |3.983269|5.049318|4.482155|5.588476|9.033409|13.834452|17.613759|12.307848|6.166585|0.136964|6.057715|5.246849|4.325457|4.037751|4.362695|5.315385|24.837841|4.679260|8.191582|4.937780|2.922579|2.878618|2.699515|2.496504|2.268216|2.471397|2.024671|2.031285|7.129176|13.348810|4.596852|3.827898|3.011832|2.756182|2.991754|3.792450|6.857062|0.108039|0.109199|0.092055|0.099568|0.132725|0.500000| |3.553113|4.635342|4.587101|6.333451|9.011717|11.172884|17.667768|12.595645|7.583891|0.149015|6.965703|4.995870|4.087722|4.086873|4.957190|6.896876|24.633283|6.667409|12.454166|6.408511|3.723615|3.805819|3.352317|3.002474|2.602336|2.759576|2.275350|2.309400|5.804301|9.167077|4.209712|3.891518|3.051289|2.675432|2.761314|3.339427|5.657302|0.097466|0.092144|0.085663|0.103328|0.163245|0.302319|0.500000| |2.249286|2.582300|2.530690|3.005204|3.512787|5.497496|4.693248|8.086083|7.073537|0.219469|8.897606|17.704203|8.974194|5.676882|4.960090|5.658021|31.670431|4.629704|6.653409|5.821806|3.230407|2.883228|2.821093|3.030541|2.942097|3.538725|2.674924|2.474637|5.816267|8.869294|5.331673|4.344038|3.645767|3.547275|3.993728|4.939238|8.754812|0.060682|0.063391|0.056395|0.062341|0.083054|0.136308|0.122495|0.500000| |1.949284|2.148730|2.060182|2.338247|2.705037|4.492235|3.408448|4.962720|4.093636|0.113925|5.619278|8.905352|17.750616|8.920909|5.644609|4.958452|53.767823|3.238843|4.936475|4.308829|2.605342|2.468017|2.248359|2.563250|2.463908|2.781485|2.391755|2.080767|3.475519|5.891480|3.181129|2.790684|2.495252|2.476567|2.720714|3.105909|5.808676|0.054065|0.054969|0.049062|0.051490|0.063687|0.103625|0.094561|0.216107|0.500000| |2.069590|2.318911|2.258981|2.596929|2.963739|4.816832|3.705797|4.749964|4.048699|0.097759|5.623362|4.963552|5.644449|8.930242|17.749469|8.901558|53.806092|3.831397|6.100767|5.132733|3.276673|3.577882|2.653210|3.087670|2.627001|2.657000|2.530974|2.206951|2.903213|4.805781|2.550811|2.430443|2.135536|1.983287|2.038413|2.286437|4.008861|0.059233|0.055617|0.052299|0.056429|0.071539|0.104836|0.121425|0.107688|0.124245|0.500000| |2.438766|2.892659|2.927709|3.621406|4.139329|6.121828|5.567541|7.235843|6.829869|0.143504|8.887137|5.653776|4.956342|5.679109|8.981081|17.720921|31.689216|7.157484|10.884321|8.567226|4.900576|5.410589|3.781784|4.030726|3.231797|3.290484|2.874185|2.694923|3.902780|6.054077|3.327194|3.259128|2.729630|2.418001|2.434953|2.784651|4.675244|0.068254|0.064350|0.061446|0.071723|0.103140|0.138872|0.209826|0.123994|0.107626|0.216533|0.500000| |2.012628|2.364780|2.496367|3.076350|3.230732|4.751456|3.973540|6.678329|7.733226|0.221832|6.996067|5.361547|4.254087|4.045735|4.610225|6.125504|24.406497|9.535419|10.913030|26.102431|9.011862|6.137029|5.870307|7.741570|6.244898|7.155246|4.742224|4.461568|4.002986|5.761654|4.036493|4.409713|3.837689|3.252749|3.080269|3.340162|5.191827|0.054402|0.054225|0.052090|0.063312|0.093707|0.097870|0.119881|0.136143|0.099631|0.110474|0.168512|0.500000| |2.169896|2.576120|2.827658|3.463117|3.377386|4.961363|3.711536|5.163008|4.484758|0.108400|4.083117|3.172510|2.808600|2.958223|3.645675|4.556013|19.475156|6.714046|13.374802|9.609355|8.779185|17.615655|6.917511|5.537993|3.916087|3.528955|3.232796|3.494195|3.036140|4.682369|2.848473|3.117909|2.733821|2.319122|2.196152|2.378747|3.830278|0.059572|0.056094|0.057120|0.073168|0.109503|0.088027|0.122522|0.080009|0.067648|0.099890|0.162592|0.150787|0.500000| |1.812254|2.089498|2.269936|2.661732|2.590310|3.953307|2.805052|3.986369|3.450409|0.089170|3.257058|2.695998|2.458802|2.588115|3.067182|3.560295|17.715509|4.646562|8.395013|7.618507|8.778990|17.554010|7.001111|6.916682|4.537298|3.668613|3.802754|4.147851|2.479413|3.879958|2.420290|2.673859|2.462359|2.123928|1.985837|2.089147|3.370715|0.049801|0.047376|0.048272|0.060052|0.082735|0.069199|0.088218|0.069101|0.060572|0.085472|0.116558|0.131483|0.301470|0.500000| |1.905128|2.203827|2.337103|2.780514|2.832419|4.301155|3.240934|4.581428|4.190295|0.104619|4.249308|3.374990|3.092481|3.365417|4.226075|5.026493|22.221383|5.576349|9.168993|9.503029|8.758160|17.545186|5.512903|7.151218|4.532560|3.887093|3.937517|3.716064|2.758193|4.290022|2.622434|2.803982|2.517666|2.196403|2.099579|2.253393|3.674256|0.052770|0.050060|0.049917|0.060399|0.084273|0.080513|0.105591|0.083051|0.073948|0.118357|0.173147|0.171149|0.300494|0.301161|0.500000| |1.917742|2.255660|2.524883|3.054759|2.871841|4.243235|3.071727|4.944716|4.305779|0.124874|3.459172|2.944766|2.503323|2.411620|2.663102|3.213280|16.090962|5.878406|10.038952|9.704739|8.751298|5.515749|17.603068|6.495990|6.125789|5.884822|4.106268|6.437590|3.238977|4.798652|3.519916|4.486280|4.329384|3.364501|2.891477|2.930489|4.398898|0.050833|0.051060|0.051259|0.067055|0.100134|0.074043|0.088647|0.081144|0.062854|0.068919|0.095609|0.160996|0.142752|0.140883|0.122829|0.500000| |1.781509|2.065892|2.302258|2.710509|2.541832|3.839543|2.677607|4.039832|3.436031|0.094714|2.975341|2.538705|2.242680|2.236314|2.511913|2.947732|15.279828|4.626189|8.397224|7.615989|8.813303|6.793124|17.563047|6.889227|5.620939|4.532528|4.070774|6.285561|2.619609|4.023487|2.717324|3.222249|3.098218|2.567272|2.286603|2.331574|3.633277|0.047844|0.046991|0.047963|0.061920|0.087391|0.065414|0.079542|0.068221|0.056386|0.067121|0.090420|0.129207|0.165200|0.204492|0.140146|0.300916|0.500000| |2.130094|2.549286|2.922382|3.608999|3.281775|4.756408|3.415890|5.189693|4.340177|0.114583|3.499446|2.863880|2.457713|2.435095|2.782913|3.415643|16.226544|6.524238|13.646714|9.297153|8.818661|7.156909|17.633865|5.429480|4.407333|4.093142|3.317275|4.393115|3.235825|4.862768|3.272660|3.954702|3.557869|2.839005|2.549123|2.681344|4.132721|0.056708|0.055584|0.057034|0.077670|0.122965|0.080118|0.102200|0.076740|0.060919|0.073355|0.107685|0.142187|0.214098|0.180168|0.143446|0.302604|0.301273|0.500000| |1.680741|1.920277|2.022983|2.380724|2.436895|3.742977|2.812453|4.275743|4.081481|0.113441|4.132604|3.549505|3.230343|3.315151|3.770591|4.299605|22.023077|4.944924|7.305368|10.114432|8.970768|7.119948|5.478672|17.495787|8.865041|6.542712|7.536095|5.497236|2.710828|4.161773|2.738546|2.979465|2.794870|2.466066|2.316811|2.411444|3.872042|0.046004|0.045071|0.044152|0.052593|0.071917|0.071564|0.085830|0.090345|0.079085|0.099298|0.125008|0.231725|0.145502|0.169810|0.220070|0.137492|0.140584|0.123932|0.500000| |1.596339|1.817181|1.945891|2.261173|2.240716|3.459762|2.476731|3.701396|3.320092|0.092036|3.179577|2.762389|2.526286|2.584725|2.912633|3.287358|17.816443|4.161741|6.734577|7.753819|8.960882|7.497705|6.605170|17.543863|8.923334|5.463607|7.063739|7.096386|2.389149|3.710098|2.440959|2.727876|2.621500|2.290640|2.108146|2.157186|3.447320|0.043568|0.042541|0.042466|0.051475|0.069370|0.062519|0.074917|0.072218|0.063242|0.078813|0.098716|0.151689|0.147796|0.223556|0.191675|0.154621|0.199022|0.140082|0.306462|0.500000| |1.676844|1.912704|2.002248|2.356196|2.437601|3.751127|2.842918|4.679325|4.536458|0.148248|4.359319|4.157977|3.572896|3.271165|3.359708|3.833222|21.408738|4.682881|6.587554|8.575572|5.435526|3.984281|4.423680|6.692357|8.717726|17.511804|6.961334|5.491823|3.169572|4.750675|3.480861|3.830117|3.775768|3.402975|3.138662|3.152490|4.894746|0.045194|0.045862|0.043911|0.051865|0.070632|0.073490|0.081378|0.115892|0.090740|0.083024|0.100909|0.234403|0.097024|0.097710|0.111141|0.134302|0.108312|0.103234|0.192156|0.137994|0.500000| |1.535297|1.735060|1.833047|2.117528|2.136391|3.329101|2.390713|3.874403|3.465164|0.111827|3.201435|3.099500|2.733679|2.523911|2.573087|2.872184|17.283095|3.647902|5.523013|6.179800|4.415723|3.315175|4.131902|5.407583|8.808688|17.545709|7.044745|7.013333|2.732558|4.174338|3.113056|3.558277|3.826641|3.502193|3.068904|2.910301|4.471235|0.041140|0.042078|0.040674|0.048264|0.063867|0.061891|0.067297|0.088974|0.071696|0.065347|0.077581|0.143074|0.081957|0.085865|0.088972|0.133217|0.106570|0.095512|0.137758|0.123503|0.303231|0.500000| |1.771285|2.046711|2.196562|2.617068|2.618369|3.955195|2.960805|5.009774|4.695781|0.156718|3.960241|3.604803|3.008738|2.765670|2.908826|3.437600|18.212962|5.255484|7.604482|9.411466|6.209966|4.152290|5.905246|6.545415|8.684345|17.582316|5.504642|6.822779|3.432478|5.025783|3.967192|4.865594|5.005221|4.123754|3.524615|3.457214|5.111939|0.047143|0.048224|0.046733|0.057346|0.080874|0.074308|0.083412|0.103088|0.076484|0.072790|0.094463|0.210006|0.103737|0.102836|0.106710|0.209587|0.137232|0.131974|0.155821|0.137828|0.300835|0.302436|0.500000| |1.367318|1.526019|1.605935|1.823110|1.832118|2.900825|2.024177|3.039479|2.668217|0.077098|2.652318|2.473868|2.337648|2.351353|2.501150|2.668106|16.863815|3.003542|4.793383|5.188943|4.510367|3.894357|3.867775|7.087836|8.721643|5.516271|17.537167|6.947002|2.047484|3.235846|2.140584|2.341953|2.344515|2.143521|1.981819|1.974457|3.193918|0.037340|0.036941|0.036426|0.042642|0.054634|0.052652|0.059569|0.066125|0.060496|0.067386|0.075462|0.113009|0.088964|0.110549|0.109790|0.104995|0.112819|0.088846|0.190093|0.214773|0.141265|0.142629|0.122268|0.500000| |1.348940|1.502857|1.576722|1.787890|1.803821|2.861945|1.998112|3.067332|2.686628|0.080607|2.641889|2.544993|2.382517|2.315286|2.385176|2.547756|16.554967|2.903323|4.561438|4.919772|3.919005|3.225010|3.515016|5.537982|8.748698|6.984425|17.547313|7.061917|2.118332|3.338204|2.278795|2.500822|2.580402|2.404006|2.200472|2.142687|3.439821|0.036613|0.036756|0.035900|0.041820|0.053391|0.052315|0.057616|0.069945|0.062725|0.062822|0.070072|0.110814|0.076933|0.088023|0.089675|0.102141|0.098441|0.081628|0.148276|0.143945|0.172308|0.212580|0.141844|0.301775|0.500000| |1.439189|1.610541|1.676904|1.920087|1.969640|3.110192|2.234764|3.412123|3.092644|0.091116|3.181448|3.033089|2.874175|2.850232|2.970725|3.145409|20.080045|3.341040|5.096167|5.886748|4.580352|3.836982|3.684351|6.989275|8.713411|6.954634|17.540002|5.524501|2.295318|3.600205|2.401871|2.578618|2.552930|2.360582|2.216324|2.224901|3.608546|0.039317|0.039119|0.037997|0.044006|0.057016|0.058636|0.065600|0.080701|0.074199|0.078095|0.085794|0.139994|0.089007|0.101199|0.112880|0.102351|0.099792|0.086150|0.227144|0.170027|0.208631|0.173365|0.140943|0.301549|0.301741|0.500000| |1.578500|1.800370|1.964131|2.272259|2.186152|3.366173|2.340570|3.669526|3.152105|0.094015|2.768080|2.499997|2.210774|2.134054|2.288692|2.613565|14.732597|3.778513|6.246130|6.379739|5.765192|4.146962|7.042599|6.480648|8.666937|6.919660|5.518799|17.619830|2.509353|3.851125|2.766327|3.335647|3.504503|2.962935|2.540863|2.467444|3.786608|0.042177|0.042483|0.042424|0.052735|0.071093|0.058781|0.067099|0.069478|0.056869|0.059992|0.075397|0.124000|0.101136|0.115289|0.100601|0.243869|0.209776|0.143939|0.134174|0.167793|0.139878|0.174472|0.203415|0.140297|0.143757|0.122344|0.500000| |1.407369|1.580340|1.693000|1.924745|1.887172|2.963506|2.036361|3.158367|2.702256|0.081383|2.488820|2.331628|2.114585|2.038265|2.137197|2.361712|14.375373|3.045938|4.949003|5.072902|4.276107|3.342060|4.448726|5.437953|8.799683|6.897853|7.182829|17.541630|2.198179|3.433235|2.422143|2.800192|2.992312|2.685068|2.344713|2.241642|3.505144|0.037814|0.038172|0.037787|0.045419|0.058737|0.052301|0.058156|0.065087|0.055308|0.056235|0.066598|0.105793|0.081220|0.093422|0.086352|0.138959|0.130522|0.099479|0.124217|0.145269|0.141404|0.209613|0.167141|0.176398|0.219611|0.144534|0.303231|0.500000| |1.440421|1.622929|1.749569|1.993922|1.939384|3.033164|2.081727|3.159068|2.707503|0.078491|2.506387|2.279568|2.080002|2.057326|2.215922|2.460615|14.511110|3.204621|5.334042|5.437944|5.179843|4.150632|5.450778|6.897806|8.736424|5.498720|6.889197|17.537098|2.140151|3.350596|2.283614|2.622504|2.684378|2.365039|2.105337|2.069965|3.268967|0.038909|0.038687|0.038746|0.047053|0.061318|0.052989|0.060646|0.062121|0.053647|0.059291|0.071405|0.108357|0.097040|0.123290|0.104092|0.153040|0.180526|0.117109|0.144435|0.218333|0.122356|0.141845|0.139817|0.204996|0.170991|0.140218|0.301909|0.302109|0.500000| |2.594570|3.209485|3.630281|4.755901|4.518485|6.239724|4.821603|9.517345|6.734386|0.209948|4.389113|3.789250|2.974378|2.684142|2.863675|3.570424|17.316345|6.762489|11.573275|7.349824|4.285378|3.484967|4.662657|3.461878|3.373320|3.966693|2.699562|3.174004|7.002146|8.911806|8.925691|17.724616|8.954172|5.663206|4.960934|5.641624|7.479868|0.066191|0.070469|0.067722|0.091784|0.156643|0.111030|0.121685|0.112429|0.074803|0.070858|0.100073|0.134720|0.102034|0.084606|0.087567|0.149877|0.103972|0.137750|0.089445|0.083156|0.106882|0.097728|0.139837|0.067963|0.070653|0.073589|0.100247|0.080563|0.078042|0.500000| |2.012691|2.343032|2.586603|3.034217|2.885779|4.377952|3.001246|5.173199|3.927652|0.128540|3.072375|2.888037|2.402998|2.167604|2.235939|2.612651|14.621387|3.981711|6.692081|5.271977|3.465499|2.781061|3.940678|3.127009|3.395338|4.149400|2.737417|3.441917|4.090723|6.027885|5.617748|8.932965|17.732757|8.866673|5.633835|4.929741|6.513434|0.051757|0.055517|0.053812|0.068741|0.094786|0.074919|0.078285|0.087618|0.062904|0.056398|0.072109|0.103697|0.077252|0.071141|0.070544|0.137330|0.095030|0.106836|0.078988|0.076658|0.104358|0.111987|0.148051|0.068160|0.075054|0.072300|0.111863|0.092348|0.081993|0.215430|0.500000| |1.812681|2.039213|2.159601|2.424601|2.403916|3.825843|2.523189|4.212439|3.120931|0.102485|2.649101|2.679538|2.290890|2.017862|1.999971|2.245744|13.935770|2.906004|4.803728|3.879093|2.541746|2.139741|2.683014|2.431244|2.687281|3.312829|2.335958|2.658662|3.562770|5.625349|4.944623|5.666576|8.895682|17.712952|8.977764|5.650297|7.605776|0.046776|0.051246|0.048341|0.057329|0.071503|0.066271|0.064864|0.084576|0.062262|0.050345|0.060095|0.080621|0.058992|0.055234|0.056387|0.086628|0.067451|0.072319|0.064094|0.060498|0.088224|0.095575|0.106239|0.058080|0.066071|0.063215|0.080557|0.074822|0.064544|0.124359|0.213832|0.500000| 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