Version2.0 2020-07-25T19:03:37Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 04-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)[C@@H](C(=O)NC(C)(C)C)N(c2ccc(cc2)C(C)C)C(=O)c3c(c(ns3)C(=O)N)N C12477077 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)[C@@H](C(=O)NC(C)(C)C)N(c2ccc(cc2)C(C)C)C(=O)c3c(c(ns3)C(=O)N)N C01[X(C27H33N5O3S1)] 201 C1 610 O=C([C@@H](N(C(=O)c1snc(c1N)C(=O)N)c1ccc(cc1)C(C)C)c1ccc(cc1)C)NC(C)(C)C O=C([C@@H](N(C(=O)c1snc(c1N)C(=O)N)c1ccc(cc1)C(C)C)c1ccc(cc1)C)NC(C)(C)C CC(C)c1ccc(cc1)N([C@H](C(=O)NC(C)(C)C)c2ccc(C)cc2)C(=O)c3snc(C(N)=O)c3N InChIKey=LVGDRLYKIIJLEK-QFIPXVFZSA-N InChI=1S/C27H33N5O3S/c1-15(2)17-11-13-19(14-12-17)32(26(35)23-20(28)21(24(29)33)31-36-23)22(25(34)30-27(4,5)6)18-9-7-16(3)8-10-18/h7-15,22H,28H2,1-6H3,(H2,29,33)(H,30,34)/t22-/m0/s1 InChI=1/C27H33N5O3S/c1-15(2)17-11-13-19(14-12-17)32(26(35)23-20(28)21(24(29)33)31-36-23)22(25(34)30-27(4,5)6)18-9-7-16(3)8-10-18/h7-15,22H,28H2,1-6H3,(H2,29,33)(H,30,34)/t22-/m0/s1/f/h30H,29H2 Cc1ccc(cc1)[C@@H](C(=O)NC(C)(C)C)N(c2ccc(cc2)C(C)C)C(=O)c3c(c(ns3)C(=O)N)N C01[X(C27H33N5O3S1)] 201 C01 610 O=C([C@@H](N(C(=O)c1snc(c1N)C(=O)N)c1ccc(cc1)C(C)C)c1ccc(cc1)C)NC(C)(C)C O=C([C@@H](N(C(=O)[C]1[C]([C]([N]S1)[C]([NH2])=O)N)[C]1[CH][CH][C]([CH][CH]1)C(C)C)[C]1[CH][CH][C]([CH][CH]1)C)NC(C)(C)C C[C]1[CH][CH][C]([CH][CH]1)[C@H](N([C]2[CH][CH][C]([CH][CH]2)C(C)C)C(=O)[C]3S[N][C]([C]3N)C(N)=O)C(=O)NC(C)(C)C InChIKey=LVGDRLYKIIJLEK-QFIPXVFZSA-N InChI=1S/C27H33N5O3S/c1-15(2)17-11-13-19(14-12-17)32(26(35)23-20(28)21(24(29)33)31-36-23)22(25(34)30-27(4,5)6)18-9-7-16(3)8-10-18/h7-15,22H,28H2,1-6H3,(H2,29,33)(H,30,34)/t22-/m0/s1 InChI=1/C27H33N5O3S/c1-15(2)17-11-13-19(14-12-17)32(26(35)23-20(28)21(24(29)33)31-36-23)22(25(34)30-27(4,5)6)18-9-7-16(3)8-10-18/h7-15,22H,28H2,1-6H3,(H2,29,33)(H,30,34)/t22-/m0/s1/f/h30H,29H2 4203.0704183547 -1936.0465066 1-A 19922.9083 135 475 610 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.00832 -20.53931 -20.53077 -20.52866 -15.61887 -15.59090 -15.58801 -15.58394 -15.55450 -11.36771 -11.36108 -11.35070 -11.30130 -11.29860 -11.29342 -11.28085 -11.25991 -11.25638 -11.25242 -11.25140 -11.24539 -11.24357 -11.23822 -11.23749 -11.23181 -11.23033 -11.22967 -11.22484 -11.22391 -11.21998 -11.21969 -11.21844 -11.21093 -11.20838 -11.20793 -11.20626 -9.01517 -6.69796 -6.69630 -6.69467 -1.40738 -1.40384 -1.39442 -1.31206 -1.25717 -1.24311 -1.22823 -1.21265 -1.17138 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2057.34 2082.31 2089.62 2129.82 2138.77 2163.32 2183.13 2227.28 2235.43 2237.39 2238.97 2255.24 2257.17 2272.02 2278.85 2279.14 2299.29 2334.80 2347.19 2348.53 2350.45 2356.70 2357.11 2358.49 2359.63 2362.50 2370.79 2377.64 2380.48 2404.41 2436.81 2438.46 2472.76 2540.45 2547.07 2547.49 2569.49 2617.10 2623.75 2625.18 2764.73 2792.99 2825.40 4601.95 4604.14 4604.97 4611.80 4612.83 4613.82 4625.95 4687.17 4688.17 4688.44 4697.66 4698.26 4700.65 4703.36 4713.27 4724.81 4728.62 4768.85 4778.24 4784.27 4827.17 4828.05 4828.47 4840.52 4855.42 4872.00 4874.73 4931.64 5491.89 5527.81 5587.61 5664.59 5719.30 0.610260 0.645258 0.646203 0.538310 -1935.436247 -1935.401248 -1935.400304 -1935.508197 3.618749D-04 MUNgauss RevisionA2.0 retrievium 25-Jul-2020 DUDE Cc1ccc(cc1)[C@@H](C(=O)NC(C)(C)C)N(c2ccc(cc2)C(C)C)C(=O)c3c(c(ns3)C(=O)N)N C12477077 RHF 6-31G(d) (6D,10F) C1 507.230412 |X|Y|Z| 72.715202 57.529304 106.422792 76.357141 20 6 7 16 17 2 1 |36.858105| |12.611411|36.858105| |7.535220|13.752675|36.858105| |5.004868|7.895417|13.722649|36.858105| |4.402042|6.762363|7.883285|13.744713|36.858105| |5.014977|7.881978|6.906696|7.995890|13.663401|36.858105| |7.553214|13.670557|8.001632|6.924633|7.896598|13.803576|36.858105| |3.256302|4.389737|5.010228|7.582621|12.507695|7.439811|4.979816|36.858105| |3.062690|4.021397|4.861275|7.496498|9.084531|5.652541|4.240773|17.666334|0.500000| |2.851846|3.655862|3.886298|5.100558|7.342639|6.116508|4.292402|12.314199|0.255757|36.858105| |2.455475|3.028685|3.167939|3.958348|5.240655|4.695197|3.515412|7.966516|0.184352|15.843921|73.516695| |2.967625|3.770128|3.932585|4.912502|6.544554|5.915968|4.403347|7.797661|0.193598|14.168664|15.035732|53.358707| |2.542048|3.053281|3.097319|3.603150|4.376505|4.274591|3.498964|4.928946|0.129495|7.577956|11.687488|17.588637|36.858105| |2.172913|2.556176|2.664493|3.110681|3.601503|3.355290|2.817164|4.278951|0.120220|6.156885|10.893438|10.504648|12.426243|36.858105| |2.643553|3.098074|3.102733|3.438527|3.915674|3.922638|3.449282|3.989244|0.108216|5.133376|7.801216|10.803811|12.436902|7.603543|36.858105| |2.394520|2.818157|2.750966|3.102940|3.815068|4.018918|3.334371|4.193218|0.104848|6.142227|10.873989|10.495103|12.423880|7.550828|7.604667|36.858105| |2.901680|3.737049|4.146625|5.650653|7.636759|5.750378|4.192383|12.992536|0.256875|7.648640|12.410829|7.013750|3.809479|3.497813|3.127646|3.517209|53.358707| |2.951926|3.738245|3.864305|4.785662|6.419274|5.927066|4.400993|7.630288|0.157452|5.851947|10.098242|5.896100|3.389255|3.031326|2.838733|3.350868|17.999610|36.858105| |3.179760|3.966602|4.054028|4.726025|5.688259|5.485597|4.507287|5.622170|0.127513|4.298519|7.214935|4.762894|2.822490|2.534240|2.478497|2.784993|10.689871|13.792604|36.858105| |3.015584|3.563776|3.439682|3.723354|4.321205|4.595900|4.092850|4.132311|0.096891|3.487591|6.009847|4.046797|2.502372|2.243356|2.233966|2.550122|6.995740|7.931742|13.736042|36.858105| |2.698390|3.124223|2.948858|3.176050|3.773287|4.180783|3.700401|3.732523|0.087188|3.405768|6.084659|3.976771|2.528333|2.258555|2.233750|2.676332|6.111260|6.796568|7.884401|13.733295|36.858105| |2.556331|3.013132|2.879087|3.203908|3.983127|4.383139|3.647388|4.203070|0.095652|4.063330|7.588949|4.586615|2.920632|2.597306|2.492002|3.175904|6.945357|7.941917|6.916846|8.001532|13.666610|36.858105| |2.650780|3.239868|3.205809|3.770209|4.963306|5.122180|3.924869|5.788479|0.124473|5.541175|10.601095|5.715248|3.468477|3.081863|2.845001|3.669056|10.470296|13.719949|7.970334|6.896826|7.865619|13.781781|36.858105| |2.443293|2.699754|2.507600|2.605883|2.971123|3.316282|3.120379|2.891936|0.069918|2.717557|4.871392|3.300496|2.169595|1.954525|1.960500|2.322092|4.498017|4.404835|4.998280|7.535383|12.516946|7.481421|4.983251|36.858105| |2.048123|2.241834|2.130028|2.234908|2.516349|2.711787|2.530518|2.539205|0.062626|2.436089|4.488754|2.953747|1.980650|1.825355|1.781701|2.128874|3.985580|3.732963|4.009846|5.317224|7.521214|6.063318|4.305540|12.411689|36.858105| |2.491686|2.702404|2.434007|2.479830|2.835329|3.298198|3.192061|2.700500|0.065332|2.619993|4.655960|3.280300|2.196970|1.947663|2.011521|2.403816|3.987985|3.732618|4.004644|5.307925|7.519657|6.061879|4.302003|12.411770|7.525542|36.858105| |2.418268|2.972489|3.301999|4.259416|5.069942|4.080185|3.220407|7.703426|0.202735|6.086562|11.493887|5.872243|3.432978|3.383561|2.811071|3.175833|18.767772|7.974955|5.703800|4.184075|3.802309|4.331504|6.082211|2.931751|2.732975|2.579162|36.858105| |2.173331|2.600562|2.804795|3.431597|4.009103|3.477862|2.832791|5.412004|0.139802|4.825757|9.799934|4.907154|3.031470|3.021721|2.499646|2.926754|11.461115|7.141911|5.334739|4.191497|3.961101|4.595303|6.245361|3.073194|2.969633|2.645443|15.904926|73.516695| |2.273632|2.755124|3.159767|4.078693|4.451432|3.496305|2.868094|6.412691|0.210401|5.280170|9.537983|5.531637|3.308485|3.433107|2.769848|2.925061|10.479415|5.067373|4.163172|3.240913|2.950613|3.243116|4.161855|2.395783|2.257071|2.156771|12.775963|14.621451|36.858105| |1.970871|2.325371|2.612789|3.218538|3.459179|2.865184|2.415360|4.637264|0.147332|4.356235|8.349730|4.824639|3.076509|3.373497|2.584435|2.742198|7.022500|3.890519|3.281259|2.703496|2.540176|2.806287|3.467348|2.125046|2.049170|1.932968|7.557468|11.681432|13.982028|36.858105| |1.884977|2.192553|2.499132|3.022675|3.083057|2.556873|2.218153|3.863107|0.127337|3.586982|6.518338|4.244914|2.758892|3.051867|2.412418|2.419697|5.470646|3.149473|2.792632|2.343813|2.183973|2.351080|2.802702|1.866966|1.796997|1.714973|5.110562|7.986721|8.318598|13.104255|36.858105| |2.035000|2.376707|2.785183|3.398841|3.313559|2.681699|2.350079|4.022069|0.138143|3.524521|6.086009|4.247966|2.698248|2.895538|2.417490|2.336608|5.542137|3.157548|2.877623|2.388530|2.179245|2.301378|2.726073|1.861742|1.767975|1.711074|4.848316|7.254726|7.724282|8.182988|14.833514|53.358707| |2.417487|2.920813|3.536133|4.601073|4.438274|3.374686|2.883349|5.567225|0.202986|4.302897|7.097155|4.965425|2.970979|3.032133|2.633682|2.567651|7.839857|4.114148|3.738386|2.945233|2.603371|2.731851|3.323478|2.163575|2.011794|1.966998|6.634074|8.857243|10.985935|7.506640|7.860651|15.819682|388.023441| |1.651799|1.881799|2.107793|2.464369|2.501783|2.146783|1.900180|3.005464|0.095329|2.915236|5.373159|3.580990|2.430414|2.746047|2.163339|2.161802|4.196976|2.554277|2.302960|1.994458|1.888622|2.026301|2.351105|1.649485|1.607805|1.528557|3.739618|6.229336|5.108572|7.290046|12.678161|10.765888|35.094172|36.858105| |1.541477|1.746110|1.923545|2.226314|2.300469|2.013828|1.782874|2.761086|0.084918|2.757648|5.232089|3.382192|2.344460|2.677935|2.069822|2.127249|3.907169|2.436558|2.183610|1.917828|1.843819|1.994850|2.298588|1.620840|1.598623|1.503764|3.500716|6.088570|4.470542|6.457684|8.065727|7.426006|28.347545|15.830674|73.516695| |1.598666|1.801296|2.027708|2.332142|2.307894|1.989389|1.791541|2.677009|0.085206|2.572860|4.622473|3.253176|2.223101|2.488187|2.033816|1.967835|3.654892|2.259076|2.080788|1.818345|1.713775|1.814221|2.073439|1.512563|1.468713|1.410555|3.108699|5.138821|4.073707|5.060099|7.934644|9.578440|31.214234|14.208157|15.089450|53.358707| |1.802463|2.100494|2.295616|2.754556|3.028407|2.619746|2.217956|3.971315|0.117862|4.045713|8.361191|4.511744|3.006191|3.372291|2.486971|2.773016|6.056452|3.614571|3.013427|2.564737|2.489570|2.810999|3.435765|2.105120|2.071115|1.921428|6.290155|11.455027|7.817233|14.022938|7.670620|7.210335|34.964194|6.222276|11.940188|5.919770|53.358707| |17.545246|8.848931|5.898620|4.304517|3.953087|4.588818|6.685142|3.015224|0.077866|2.648288|4.133486|3.668968|2.332363|2.010451|2.383516|2.245601|3.794302|2.927186|3.247413|3.191941|2.844010|2.621994|2.649325|2.623504|2.169145|2.688863|2.334413|3.786067|2.164841|1.881673|1.789198|2.611169|16.158474|1.573301|2.624908|2.066056|2.359816|0.500000| |17.547106|8.841666|5.849658|4.283907|3.948525|4.605790|6.748514|3.011584|0.078768|2.744211|4.217641|3.993093|2.575180|2.179786|2.748983|2.442242|3.613826|2.696148|2.827374|2.712206|2.501931|2.410422|2.487574|2.295683|1.941406|2.392354|2.239192|3.601166|2.114057|1.857590|1.778324|2.589862|15.785909|1.573213|2.623364|2.075211|2.335030|0.302302|0.500000| |17.582334|8.836606|7.226378|4.736877|3.940026|4.167031|5.567839|3.011466|0.080969|2.621752|4.040040|3.704547|2.349854|2.050715|2.456125|2.185265|3.677100|2.690996|2.901551|2.726593|2.424694|2.299088|2.398226|2.206876|1.882551|2.218732|2.296502|3.666114|2.203867|1.920230|1.864553|2.769874|17.075745|1.640085|2.705931|2.181814|2.374118|0.301773|0.301706|0.500000| |6.966446|8.921313|17.707257|8.937208|5.633163|4.968833|5.665635|4.102296|0.115715|3.284877|4.896619|4.540970|2.725396|2.410741|2.771475|2.420523|4.808835|3.276292|3.473581|3.009733|2.591205|2.510210|2.756707|2.252393|1.943313|2.180082|2.948959|4.510448|2.909501|2.448638|2.400850|3.696148|24.007074|2.046904|3.301975|2.722790|2.918089|0.152604|0.150823|0.221179|0.500000| |4.090974|5.640216|8.946307|17.705769|8.919884|5.663304|4.978005|7.063758|0.229972|4.769768|6.768930|6.142363|3.392352|3.067720|3.221785|2.873673|7.489753|4.373067|4.275939|3.357934|2.873099|2.911102|3.443551|2.380164|2.087788|2.238155|4.437792|6.234076|4.571575|3.555089|3.438795|5.499098|40.872510|2.746047|4.316496|3.565888|3.998900|0.099840|0.099297|0.113064|0.217251|0.500000| |4.102040|5.633871|4.970737|5.665639|8.885015|17.730652|8.976003|6.861566|0.141094|6.585441|9.370388|8.408912|4.603673|3.524710|4.031425|4.651740|7.727730|6.327027|5.433715|4.761106|4.666085|5.221194|6.137319|3.640037|2.958920|3.702498|4.098040|6.398974|3.397983|2.836169|2.481464|3.455535|22.178554|2.102409|3.556722|2.625069|3.628388|0.108346|0.108855|0.096059|0.107813|0.124157|0.500000| |7.013411|8.900749|5.670123|4.977324|5.635299|8.968151|17.698089|4.067681|0.097265|3.739072|5.662632|5.272460|3.252222|2.618572|3.244794|3.236479|4.873966|3.897978|4.012632|3.893641|3.679547|3.593684|3.681822|3.222437|2.583262|3.451108|2.844496|4.573853|2.526640|2.173617|1.996224|2.843356|17.776282|1.735955|2.924259|2.230022|2.766346|0.189089|0.192589|0.140521|0.124259|0.107923|0.217885|0.500000| |3.411547|4.467533|4.709150|5.903892|7.684992|6.824508|5.151098|7.580945|0.194640|9.511932|10.904398|26.083203|8.998651|5.962520|7.887101|6.022909|6.605314|4.123480|3.483653|2.957626|2.844515|3.172813|3.846641|2.377145|2.100999|2.372584|3.957649|5.849873|3.792432|3.259718|2.958092|4.157088|25.805118|2.496924|4.139319|3.146877|4.053957|0.083853|0.093902|0.086562|0.108560|0.145014|0.179712|0.121353|0.500000| |2.188119|2.574408|2.750461|3.236188|3.613960|3.247108|2.760763|4.275619|0.127470|5.669134|9.460968|9.574524|8.794428|17.550075|6.970609|5.491130|4.680021|2.902407|2.464711|2.160567|2.135577|2.408800|2.853178|1.849948|1.725714|1.828742|3.359771|5.234885|3.577248|3.537183|3.317341|4.342993|23.326377|2.982437|5.063289|3.726838|4.651168|0.055761|0.060697|0.058082|0.069966|0.090980|0.091437|0.070284|0.164801|0.500000| |1.991213|2.290968|2.355532|2.672694|3.027808|2.900198|2.509709|3.455027|0.096474|4.633182|8.408047|7.610479|8.817779|17.546063|6.932846|6.898179|3.996122|2.624491|2.239103|2.021717|2.054646|2.346226|2.706927|1.810398|1.704983|1.821293|2.866496|4.672819|2.901962|2.906455|2.677813|3.450471|18.504194|2.484739|4.370023|3.102948|4.031198|0.051435|0.056015|0.052346|0.059900|0.073083|0.084931|0.066018|0.129813|0.300994|0.500000| |2.078797|2.450768|2.563824|3.029774|3.558152|3.280691|2.714081|4.459863|0.124080|6.606236|13.492527|9.426868|8.776127|17.626162|5.511240|6.862407|5.173674|3.262865|2.665845|2.347030|2.378765|2.784345|3.367530|2.040942|1.925370|2.009640|3.813709|6.124009|3.837911|3.858144|3.352599|4.189295|22.790761|2.998577|5.287182|3.594225|5.448783|0.054017|0.057306|0.054492|0.064391|0.083632|0.097112|0.070070|0.145358|0.300917|0.300940|0.500000| |2.967138|3.475818|3.353909|3.603727|4.123289|4.380535|3.958184|3.933076|0.103596|4.824933|7.199776|9.771234|8.761385|5.501960|17.535224|6.936431|4.206706|2.882232|2.555460|2.327387|2.328960|2.572978|2.890506|2.052398|1.839952|2.135501|2.707498|4.294402|2.613171|2.398450|2.234965|3.081235|17.853774|1.995994|3.390073|2.563830|3.127100|0.073715|0.087456|0.075216|0.082088|0.090772|0.125060|0.105096|0.219848|0.141637|0.141142|0.122826|0.500000| |2.341727|2.664579|2.648213|2.876388|3.211060|3.250206|2.934512|3.295083|0.089857|4.140230|6.699058|7.724002|8.816436|6.928381|17.576825|6.932107|3.679785|2.494579|2.199812|2.014682|2.035455|2.266254|2.539524|1.815042|1.668512|1.873799|2.488276|4.014832|2.462353|2.349372|2.209266|2.983111|16.597013|2.023384|3.480383|2.601074|3.131559|0.059346|0.068078|0.060856|0.066897|0.075795|0.093790|0.078453|0.151703|0.171885|0.207851|0.141172|0.301605|0.500000| |2.674704|3.134315|3.243462|3.610814|3.930645|3.754081|3.350703|3.980811|0.113218|4.828959|7.203273|9.773719|8.763836|6.939203|17.538401|5.502974|4.193355|2.729485|2.411961|2.151354|2.113691|2.322575|2.659578|1.854530|1.688016|1.881163|2.792822|4.358629|2.838658|2.650502|2.532507|3.507934|19.820847|2.269279|3.807120|2.940169|3.402269|0.066141|0.076790|0.070262|0.081714|0.096219|0.102590|0.085684|0.217064|0.209655|0.171303|0.141485|0.300244|0.301628|0.500000| |2.274474|2.683462|2.640809|3.020179|3.765807|3.908845|3.179047|4.356637|0.106964|6.581090|13.446537|9.412602|8.780664|6.875580|5.512859|17.625532|5.204198|3.681297|2.969156|2.715046|2.898501|3.563123|4.207445|2.484496|2.303707|2.540657|3.514745|5.868643|3.149361|2.968362|2.547693|3.289957|18.905727|2.266452|4.008780|2.763335|4.188563|0.059997|0.063511|0.057795|0.064600|0.078350|0.128432|0.085451|0.146403|0.140371|0.170146|0.204657|0.141395|0.141302|0.122872|0.500000| |2.160923|2.477536|2.416086|2.668103|3.153559|3.304784|2.861556|3.408256|0.087854|4.624989|8.392163|7.606135|8.814100|6.888251|6.939721|17.546305|4.010864|2.826213|2.408783|2.240917|2.358903|2.752941|3.084487|2.095314|1.948093|2.183945|2.734155|4.556917|2.570602|2.467328|2.214522|2.898662|16.259771|2.021773|3.567125|2.524722|3.436461|0.056499|0.061753|0.055263|0.060111|0.069557|0.103385|0.078295|0.130660|0.140858|0.206704|0.169483|0.171448|0.208197|0.141244|0.301003|0.500000| |2.626121|3.093347|2.920912|3.223401|4.011787|4.525488|3.790484|4.137448|0.100748|5.658143|9.454012|9.571812|8.790935|5.490413|6.962331|17.545900|4.728482|3.434463|2.902602|2.698651|2.854188|3.363826|3.786412|2.486498|2.236711|2.632436|3.035847|4.980711|2.746341|2.526340|2.242391|2.991577|17.456847|1.995918|3.472040|2.492598|3.432207|0.068532|0.075217|0.065431|0.070523|0.080730|0.151290|0.104844|0.167748|0.122947|0.140898|0.140255|0.209246|0.171702|0.141532|0.300716|0.300997|0.500000| |3.349802|4.199402|4.525094|5.303869|5.803750|5.184083|4.453229|5.487761|0.131868|3.986976|6.522279|4.525286|2.672119|2.426065|2.392102|2.566262|9.908101|8.962426|17.728398|8.901737|5.623675|4.975590|5.665322|4.081468|3.386319|3.382146|5.484076|8.706887|4.286698|3.317255|2.899305|4.190313|29.401292|2.367723|3.928460|2.943545|4.013517|0.094497|0.080839|0.086705|0.109276|0.136675|0.132287|0.106951|0.094126|0.066808|0.059538|0.070201|0.068336|0.058878|0.065856|0.074707|0.062207|0.073761|0.500000| |3.034580|3.460714|3.322162|3.453107|3.786479|4.009033|3.807774|3.516688|0.085394|2.978299|5.092823|3.558674|2.231813|2.015216|2.034774|2.258036|5.693698|5.654566|8.947328|17.703419|8.917973|5.665749|4.963414|6.997986|5.011324|4.998595|3.537634|6.276848|2.878128|2.435578|2.161352|3.029865|19.303394|1.858675|3.168962|2.333817|3.129415|0.091491|0.074985|0.076948|0.082591|0.087269|0.111268|0.101885|0.073281|0.054387|0.050887|0.058040|0.059063|0.051300|0.054872|0.065858|0.055870|0.066386|0.215833|0.500000| |2.319085|2.673351|2.536539|2.781687|3.394086|3.758663|3.213176|3.594533|0.083879|3.675228|7.057355|4.271596|2.829827|2.532003|2.416211|3.186730|5.646267|5.662496|4.974504|5.665978|8.884577|17.710838|8.991169|6.919264|6.305979|6.289995|3.701725|7.084534|2.882097|2.574982|2.172368|2.863744|17.291379|1.906127|3.374026|2.326081|3.594265|0.066002|0.061761|0.058116|0.062150|0.070815|0.125297|0.090081|0.081207|0.064413|0.064528|0.075595|0.069154|0.061968|0.061875|0.100664|0.077924|0.093824|0.107904|0.124155|0.500000| |2.448258|2.968079|2.961905|3.507977|4.605465|4.651248|3.563414|5.759388|0.125941|6.349686|13.847104|6.313450|3.918301|3.521149|3.076833|4.257014|9.609900|8.939677|5.670792|4.969092|5.615333|8.914071|17.775010|4.068505|3.717554|3.707623|6.143160|11.349499|4.291510|3.691857|2.922919|3.777807|23.434221|2.466069|4.337214|2.926064|5.161507|0.067053|0.064819|0.061942|0.071354|0.090523|0.156734|0.093273|0.112314|0.088290|0.085251|0.110276|0.085131|0.076576|0.078794|0.143653|0.097950|0.118068|0.124676|0.107782|0.216695|0.500000| |2.505136|2.721038|2.525992|2.577449|2.857957|3.158138|3.064200|2.724802|0.066804|2.504716|4.420949|3.072251|2.012680|1.820727|1.844404|2.116985|4.211681|4.008423|4.839482|7.468549|9.016927|5.602466|4.201017|17.531288|8.951981|8.953020|2.750303|5.063888|2.288569|2.025119|1.802868|2.472678|15.043336|1.594646|2.770347|2.005363|2.698319|0.076010|0.064664|0.063212|0.063674|0.065564|0.092971|0.087675|0.062292|0.048370|0.046889|0.052457|0.053729|0.047417|0.048936|0.062096|0.053323|0.062817|0.115056|0.231089|0.139938|0.096396|0.500000| |1.925170|2.067414|1.954427|2.021135|2.239365|2.417953|2.305986|2.234601|0.055798|2.154909|3.945463|2.658957|1.803595|1.667225|1.643590|1.937723|3.429914|3.100205|3.338496|4.278652|5.485191|4.581493|3.478698|8.782692|17.537147|6.887839|2.366856|4.521836|2.002200|1.836095|1.631850|2.191273|12.888456|1.474526|2.609076|1.846971|2.525100|0.056970|0.050979|0.049351|0.049992|0.052590|0.072524|0.066068|0.052849|0.043906|0.043603|0.048525|0.047250|0.043040|0.043332|0.057661|0.049794|0.056638|0.081034|0.117923|0.134041|0.085839|0.215589|0.500000| |1.983392|2.179164|2.108088|2.230419|2.486145|2.609102|2.419213|2.543583|0.063315|2.402222|4.443596|2.882466|1.921230|1.792262|1.723788|2.034219|4.089137|3.804707|4.158365|5.424041|6.902141|5.581282|4.230207|8.760379|17.562878|5.474378|2.865868|5.647013|2.360181|2.143239|1.875076|2.507685|14.913561|1.674624|2.961550|2.076128|2.945919|0.058101|0.051829|0.051147|0.053771|0.058585|0.077744|0.067375|0.056927|0.047396|0.046348|0.052787|0.049077|0.044774|0.045724|0.061251|0.051700|0.058650|0.098686|0.144280|0.151557|0.101117|0.213399|0.300975|0.500000| |1.961775|2.160762|2.058544|2.182113|2.488696|2.680911|2.461510|2.561126|0.062987|2.523537|4.743267|3.050010|2.068620|1.911956|1.841057|2.260678|4.002846|3.715807|3.760041|4.673732|6.719356|6.488503|4.537229|8.738008|17.549973|6.795520|2.776345|5.429409|2.283502|2.094509|1.820926|2.412132|14.222537|1.635292|2.912248|2.021617|2.927513|0.057040|0.052120|0.050053|0.052017|0.056740|0.082781|0.069817|0.059502|0.049741|0.049761|0.056429|0.052568|0.048098|0.048089|0.068889|0.057578|0.065710|0.087659|0.116959|0.213543|0.112593|0.173729|0.301738|0.301820|0.500000| |2.859432|3.089378|2.701504|2.702094|3.090947|3.731683|3.728695|2.839558|0.068302|2.726758|4.728641|3.461796|2.296140|2.003072|2.127556|2.495007|4.091478|3.801674|4.146453|5.404743|6.894125|5.573508|4.220987|8.757633|5.473406|17.554202|2.582450|4.596858|2.174173|1.930927|1.724217|2.363328|14.310465|1.530282|2.657621|1.931442|2.581207|0.086999|0.076254|0.069416|0.066568|0.066576|0.116008|0.115737|0.070596|0.052404|0.051864|0.056780|0.063614|0.054671|0.055268|0.072042|0.062582|0.077148|0.098426|0.143595|0.150905|0.100599|0.213513|0.140796|0.122505|0.139046|0.500000| |2.283097|2.415436|2.183410|2.198448|2.457438|2.810550|2.778545|2.343187|0.057702|2.280427|4.058994|2.892241|1.964187|1.759932|1.820765|2.140601|3.431326|3.099857|3.334895|4.272617|5.483991|4.581517|3.477072|8.780754|6.889856|17.538493|2.263907|4.140677|1.930518|1.750367|1.569120|2.131699|12.651147|1.412136|2.475672|1.783417|2.374350|0.068822|0.061271|0.057043|0.055125|0.055669|0.085705|0.083641|0.058314|0.046098|0.046114|0.050275|0.053580|0.047541|0.047506|0.062396|0.054817|0.064689|0.080943|0.117657|0.133888|0.085690|0.215451|0.207125|0.140793|0.168962|0.301068|0.500000| |2.362785|2.587170|2.343659|2.420318|2.812746|3.277057|3.093967|2.735670|0.065886|2.740623|4.952513|3.433377|2.332413|2.061228|2.112215|2.617459|4.006728|3.716935|3.756931|4.668813|6.721247|6.490302|4.535020|8.737929|6.792588|17.547489|2.609964|4.787309|2.176187|1.966479|1.732681|2.331430|13.899580|1.549094|2.725005|1.936884|2.693179|0.069512|0.063813|0.058499|0.058131|0.060835|0.105369|0.092839|0.068005|0.053125|0.053743|0.059342|0.062150|0.054919|0.054243|0.077771|0.066115|0.079964|0.087588|0.116769|0.212813|0.112266|0.173734|0.168761|0.139070|0.200420|0.301613|0.301806|0.500000| |1.677308|1.891000|2.156119|2.480783|2.405227|2.052612|1.858432|2.753279|0.088934|2.587383|4.551194|3.292485|2.220978|2.447003|2.055060|1.949775|3.718703|2.284703|2.126477|1.848320|1.724441|1.810384|2.067878|1.519812|1.464668|1.417343|3.104802|5.033296|4.097017|4.766787|7.487552|11.063373|34.306844|9.339919|10.828443|26.095042|5.334835|0.044064|0.044253|0.047031|0.059650|0.078734|0.054641|0.046930|0.065927|0.075403|0.061952|0.071094|0.053148|0.053279|0.061186|0.055423|0.050837|0.050769|0.062164|0.048643|0.047080|0.058961|0.041330|0.037615|0.042226|0.040916|0.039806|0.036559|0.039532|0.500000| 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