Version2.0 2020-01-31T01:56:29Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 30-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(c2cc(c(=O)[nH]c2c1)[C@@H](c3nnnn3Cc4ccc(cc4)OC)[NH+](C)C5CCCCC5)C C06301727 RHF 6-31G(d) (6D,7F) Cc1cc(c2cc(c(=O)[nH]c2c1)[C@@H](c3nnnn3Cc4ccc(cc4)OC)[NH+](C)C5CCCCC5)C C01[X(C28H35N6O2)] 207 C1 610 COc1ccc(cc1)Cn1nnnc1[C@@H]([NH+](C1CCCCC1)C)c1cc2c(C)cc(cc2[nH]c1=O)C COc1ccc(cc1)Cn1nnnc1[C@@H]([NH+](C1CCCCC1)C)c1cc2c(C)cc(cc2[nH]c1=O)C COc1ccc(Cn2nnnc2[C@@H]([NH+](C)C3CCCCC3)C4=Cc5c(C)cc(C)cc5NC4=O)cc1 InChIKey=PPUJPQMMNBOMMU-SANMLTNESA-O InChI=1S/C28H34N6O2/c1-18-14-19(2)23-16-24(28(35)29-25(23)15-18)26(33(3)21-8-6-5-7-9-21)27-30-31-32-34(27)17-20-10-12-22(36-4)13-11-20/h10-16,21,26H,5-9,17H2,1-4H3,(H,29,35)/p+1/t26-/m0/s1 InChI=1/C28H34N6O2/c1-18-14-19(2)23-16-24(28(35)29-25(23)15-18)26(33(3)21-8-6-5-7-9-21)27-30-31-32-34(27)17-20-10-12-22(36-4)13-11-20/h10-16,21,26H,5-9,17H2,1-4H3,(H,29,35)/p+1/t26-/m0/s1/fC28H35N6O2/h29,33H/q+1 Cc1cc(c2cc(c(=O)[nH]c2c1)[C@@H](c3nnnn3Cc4ccc(cc4)OC)[NH+](C)C5CCCCC5)C C01[X(C28H35N6O2)] 207 C01 610 COc1ccc(cc1)Cn1nnnc1[C@@H]([NH+](C1CCCCC1)C)c1cc2c(C)cc(cc2[nH]c1=O)C COc1ccc(cc1)CN1NNN[C@H]1[C@H](c1cc2c(C)cc(cc2[nH]c1=O)C)[NH](C1CCCCC1)C COc1ccc(CN2NNN[C@H]2[C@@H]([NH](C)C3CCCCC3)C4=Cc5c(C)cc(C)cc5NC4=O)cc1 InChIKey=KABSEAAOEJBYJZ-RRPNLBNLSA-N InChI=1S/C28H39N6O2/c1-18-14-19(2)23-16-24(28(35)29-25(23)15-18)26(33(3)21-8-6-5-7-9-21)27-30-31-32-34(27)17-20-10-12-22(36-4)13-11-20/h10-16,21,26-27,30-33H,5-9,17H2,1-4H3,(H,29,35)/t26-,27+/m0/s1 InChI=1/C28H39N6O2/c1-18-14-19(2)23-16-24(28(35)29-25(23)15-18)26(33(3)21-8-6-5-7-9-21)27-30-31-32-34(27)17-20-10-12-22(36-4)13-11-20/h10-16,21,26-27,30-33H,5-9,17H2,1-4H3,(H,29,35)/t26-,27+/m0/s1/f/h29H 4029.0997688384 -1556.8944986 1-A 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53.4350 15.0223 7.7185 5.0269 4.8818 13.1757 16.8053 14.6923 8.1440 5.1521 16.3278 33.4642 4.6627 5.0297 5.0560 18.2173 37.4245 7.0256 15.8595 12.8728 13.1269 11.4858 73.8650 24.7652 1.6396 13.0130 14.9571 2.8582 145.5407 224.7671 119.8953 11.6976 4.3251 2.8412 2.0464 9.9157 0.4787 44.8662 73.0324 14.5924 1.8116 0.1059 39.7417 2.5075 0.7948 1.2181 87.0833 12.2521 5.9451 2.3770 57.9565 27.7850 8.1195 5.9205 26.0109 3.3205 3.2006 3.3875 6.2725 46.2058 49.4012 33.3759 4.2931 8.6013 32.8503 29.5376 35.6137 11.2888 23.4820 165.5215 12.3365 94.1287 9.4257 114.7465 288.2119 186.3332 918.5827 8.1510 29.3775 25.5867 30.9018 17.7909 21.3966 41.6009 27.2958 13.8666 23.6007 32.2163 49.5307 10.7065 23.4405 12.7093 12.3169 18.2533 45.1181 16.4036 15.7809 6.1722 12.0731 1.8668 28.9861 31.8616 3.7529 6.8083 7.5969 9.2504 6.8906 3.3455 5.2495 3.0442 87.3872 99.2412 1.7823 1.5183 1.1078 2.7612 1.1749 4.0681 3.2648 0.8773 0.2430 0.5891 1.5607 1.3686 0.3766 0.9051 1.2492 0.5568 1.7348 0.0480 2.0211 1.0471 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4925.82 5229.54 5511.80 0.652320 0.683315 0.684259 0.587247 -1556.242179 -1556.211183 -1556.210239 -1556.307251 3.253798D-04 MUNgauss RevisionA2.0 retrievium 31-Jan-2020 DUDE Cc1cc(c2cc(c(=O)[nH]c2c1)[C@@H](c3nnnn3Cc4ccc(cc4)OC)[NH+](C)C5CCCCC5)C C06301727 RHF 6-31G(d) (6D,10F) C1 487.282150 |X|Y|Z| 73.123754 107.854897 42.832043 69.644856 30 6 7 24 6 |36.858105| |12.636269|36.858105| |7.561854|13.524026|36.858105| |5.021469|7.839158|13.912161|36.858105| |4.425034|6.808823|7.943413|13.431082|36.858105| |3.318072|4.499547|5.089831|7.562696|13.244005|36.858105| |2.922346|3.778322|3.936077|5.081047|7.800576|14.155899|36.858105| |3.081494|3.943402|3.775641|4.461140|6.677765|7.827454|13.010181|36.858105| |2.662475|3.237257|3.066894|3.480190|4.694704|5.383584|8.112491|15.758273|73.516695| |3.876618|5.213933|4.608339|5.173872|7.974150|7.005851|7.988832|14.026483|15.071806|53.358707| |3.815691|4.822678|4.047398|4.252448|5.788343|5.124227|5.809868|9.544503|13.975885|25.950012|0.500000| |5.027864|7.956778|6.915365|7.851597|13.645563|7.874366|6.796979|7.811005|9.592611|18.799636|0.256991|36.858105| |7.586981|13.866151|7.931401|6.782652|7.833652|5.124036|4.538135|5.167337|7.289081|10.789149|0.204708|13.649877|36.858105| |2.375919|2.916217|3.060390|3.789952|4.952153|7.590292|12.559947|7.471450|11.903426|6.898733|0.116669|4.415394|3.337559|36.858105| |2.289391|2.795565|3.030981|3.823815|4.732186|7.359345|8.973451|5.541996|8.718116|5.754852|0.098482|3.972137|3.084665|17.654385|0.500000| |2.207271|2.647763|2.724348|3.244305|4.068969|5.451538|7.647134|6.159551|10.847998|6.069814|0.107830|3.832213|3.025285|12.612668|0.247764|36.858105| |2.022318|2.370221|2.381007|2.736597|3.351666|4.147805|5.577567|5.346800|10.798195|5.419221|0.101617|3.324161|2.721364|7.692341|0.163643|14.753461|53.358707| |1.912763|2.206897|2.211833|2.498137|2.966609|3.512779|4.343063|4.233064|8.186765|4.663797|0.089326|2.955646|2.497375|5.343425|0.126767|9.071639|19.448596|53.358707| |1.986714|2.305193|2.345695|2.674603|3.141785|3.735543|4.412712|4.076632|7.320328|4.632866|0.086995|3.048045|2.572689|5.273459|0.132014|8.917072|12.201187|20.725272|53.358707| |2.183743|2.598997|2.701751|3.195393|3.853960|4.910180|5.903644|4.890834|8.229424|5.364017|0.096392|3.576752|2.904273|7.470769|0.187969|14.305139|12.183532|12.426771|19.503564|53.358707| |2.257084|2.694285|2.897062|3.482350|4.007525|5.014637|5.206164|4.150509|6.614840|4.905456|0.087340|3.522448|2.906565|5.844731|0.169758|7.418600|7.254440|7.480552|10.721186|17.695167|36.858105| |2.030405|2.388307|2.620676|3.151900|3.466364|4.351098|4.352153|3.423141|5.560276|4.075410|0.073333|2.980678|2.510903|5.191622|0.170818|5.804667|6.020471|6.012425|7.677176|10.447061|12.596215|36.858105| |2.096070|2.477456|2.809617|3.456621|3.647868|4.578820|4.218807|3.242828|5.151794|3.955014|0.070602|3.002704|2.541432|4.760095|0.167070|4.628411|4.907538|4.698428|5.565461|7.238062|7.531622|13.689244|36.858105| |1.869258|2.163554|2.445509|2.926635|3.003658|3.621476|3.381756|2.703722|4.398507|3.333755|0.060589|2.526293|2.192154|3.832309|0.132256|3.677417|4.136075|3.975039|4.526471|5.462964|5.008778|7.887715|13.811910|36.858105| |1.662157|1.894464|2.093083|2.439201|2.532492|3.002262|2.931745|2.424584|4.055301|2.972427|0.054889|2.204725|1.935057|3.415101|0.113502|3.431933|4.020532|3.952356|4.456971|5.107865|4.417191|6.802393|7.932202|13.680229|36.858105| |1.627315|1.851804|2.009432|2.322363|2.466444|2.931671|2.971475|2.493902|4.240230|3.018660|0.056074|2.193288|1.919320|3.560211|0.114557|3.834143|4.563781|4.641301|5.343035|5.931541|5.007022|7.876918|6.889275|7.929545|13.691061|36.858105| |1.773283|2.041108|2.201805|2.568071|2.794198|3.383861|3.499868|2.902610|4.908040|3.462448|0.063815|2.488599|2.144591|4.274343|0.135344|4.958536|5.672111|5.925311|7.345528|8.460999|7.552727|13.730489|7.994291|6.898867|7.929980|13.751226|36.858105| |1.524858|1.715861|1.892011|2.169782|2.217377|2.564678|2.495299|2.110386|3.558836|2.619710|0.048852|1.949839|1.737805|2.845159|0.092439|2.810701|3.394489|3.329132|3.650859|4.061207|3.373262|4.606552|5.310300|8.228153|14.241263|7.879057|5.209283|73.516695| |1.379875|1.535813|1.669648|1.883289|1.933070|2.203994|2.184596|1.893482|3.244215|2.355250|0.044424|1.735007|1.561151|2.490879|0.078482|2.518050|3.137727|3.127223|3.383449|3.628151|2.915947|3.774307|3.986418|5.256967|8.002237|6.699568|4.507364|24.087886|36.858105| |2.142342|2.560193|2.630338|3.124183|3.909289|5.239725|7.511510|6.212929|11.813403|5.928312|0.106385|3.696842|2.925842|12.571543|0.251523|7.847058|9.515897|6.432652|5.783488|6.990925|4.100272|3.885902|3.648342|3.189994|2.971728|3.092434|3.507781|4.584329|2.317481|53.358707| |2.120207|2.511953|2.519137|2.923098|3.670301|4.655840|6.766556|6.624766|14.723192|6.154906|0.113979|3.653317|2.921929|9.450388|0.183911|7.884911|11.425336|7.210067|6.066670|6.923623|3.885696|3.537446|3.232631|2.826179|2.674465|2.836215|3.249821|4.151326|2.134199|25.590526|0.500000| |2.243777|2.686770|2.756098|3.257140|4.047703|5.179804|6.716843|5.929411|10.778529|6.047527|0.109021|3.846937|3.065282|7.609503|0.182647|5.072206|6.291112|4.764383|4.419192|5.196598|3.313131|3.190257|3.170298|2.850453|2.614465|2.622504|2.868449|4.153392|2.096754|17.348633|0.260054|36.858105| |1.838660|2.142904|2.221824|2.591588|3.057450|3.894252|4.833019|4.137733|7.836878|4.380566|0.081200|2.864902|2.374988|7.267326|0.194704|6.013491|7.949729|5.882520|5.276566|6.036549|3.661478|3.750647|3.520309|3.251979|3.174842|3.338393|3.631247|4.972444|2.555306|16.710209|0.252375|7.750131|36.858105| |1.738261|2.013526|2.113502|2.467509|2.840887|3.604850|4.247729|3.547005|6.485737|3.886006|0.071995|2.614111|2.194067|6.389482|0.192973|6.216047|7.932552|6.378748|5.969912|6.813924|4.185571|4.612532|4.148509|3.896277|3.995574|4.406331|4.777481|6.070570|3.125527|9.832015|0.168060|5.032176|12.442516|36.858105| |1.535449|1.746925|1.831587|2.097215|2.342204|2.841447|3.193581|2.784036|5.113071|3.180817|0.060049|2.174546|1.875887|4.248210|0.127657|4.167475|5.612543|4.913387|4.628197|4.974086|3.245847|3.660276|3.422349|3.451653|3.738684|4.059604|4.006009|6.058681|3.271292|6.584950|0.119785|3.929457|7.653160|12.391675|36.858105| |1.438649|1.619654|1.670959|1.880072|2.102564|2.483370|2.825003|2.587335|4.909554|2.975752|0.057259|2.004300|1.750288|3.603566|0.101536|3.639404|5.282367|4.681977|4.217653|4.318862|2.758331|2.954265|2.736312|2.717816|2.910248|3.178039|3.202969|4.815619|2.674295|5.861969|0.114434|3.599439|6.475762|7.510061|12.454479|36.858105| |1.496550|1.687706|1.724846|1.934953|2.189718|2.576429|2.988632|2.805200|5.459524|3.193717|0.061847|2.116602|1.842700|3.755426|0.101884|3.623864|5.346363|4.522211|3.982527|4.125194|2.601727|2.691292|2.531064|2.464998|2.538632|2.699631|2.785044|4.196868|2.283706|6.715217|0.133961|4.285661|7.564193|6.422342|7.553643|12.455260|36.858105| |1.685008|1.927860|1.958311|2.220020|2.587586|3.115491|3.811135|3.599106|7.251195|3.916738|0.075250|2.520562|2.145196|5.021844|0.127834|4.737253|7.193020|5.551766|4.724580|4.996738|3.013951|3.009117|2.790157|2.617269|2.617485|2.793790|3.006109|4.206488|2.233883|10.409268|0.217391|5.939075|12.439458|7.550387|6.481076|7.520984|12.422764|36.858105| |3.800981|4.998871|7.627931|12.605282|7.463619|6.348954|4.383188|3.633937|5.271239|5.247461|0.090828|4.984498|4.410019|3.589725|0.106957|3.067708|3.493370|3.214367|3.483153|4.186527|3.495658|3.366345|3.951094|3.403961|2.734713|2.514613|2.719718|4.344134|2.076063|4.036142|0.075314|3.062651|2.558048|2.499222|2.150404|1.892639|1.917560|2.158853|36.858105| |17.558321|8.885201|6.765298|4.626081|3.979507|3.068151|2.699018|2.804555|4.357525|4.658748|0.093269|4.318801|5.911935|2.227925|0.060209|2.047588|2.559761|2.410650|2.491734|2.738301|2.078759|1.905202|1.987711|1.796909|1.599314|1.553973|1.675096|2.630844|1.339837|2.774122|0.055665|2.165950|1.766404|1.664997|1.483445|1.390701|1.449876|1.620933|3.677319|0.500000| |17.603034|8.836730|5.559476|4.156809|3.947245|3.060527|2.794475|3.047901|4.772927|5.278969|0.110912|4.744485|7.261652|2.287757|0.060453|2.149445|2.721669|2.580645|2.653742|2.878569|2.148031|1.920480|1.954345|1.746440|1.570073|1.550874|1.693474|2.563012|1.314101|2.845178|0.058207|2.186121|1.792512|1.685722|1.491827|1.410912|1.474787|1.663430|3.220845|0.301333|0.500000| |17.558576|8.886324|6.763851|4.627238|3.981154|3.072922|2.703303|2.799701|4.335069|4.653665|0.092911|4.318883|5.912321|2.239230|0.060432|2.114037|2.634983|2.526241|2.651152|2.898041|2.234517|2.011406|2.076757|1.854115|1.649747|1.615027|1.758659|2.692532|1.371992|2.727000|0.055031|2.064977|1.739465|1.667183|1.478266|1.382271|1.425109|1.594005|3.678417|0.302306|0.301372|0.500000| |7.082296|8.893467|17.720698|9.004749|5.641814|4.117462|3.280904|3.122062|4.654923|4.978043|0.091805|4.974400|5.660404|2.670966|0.074655|2.407658|2.891030|2.715326|2.885775|3.284228|2.616712|2.421706|2.627280|2.334428|2.002570|1.905318|2.058937|3.255727|1.618727|3.171850|0.061878|2.437255|2.016214|1.938296|1.704792|1.556153|1.596738|1.787474|7.104469|0.194026|0.141371|0.193854|0.500000| |2.995638|3.909040|4.646884|6.942441|8.798743|17.721179|9.104924|5.584754|7.650764|6.834076|0.110413|5.624487|4.153169|7.039158|0.226848|5.102913|5.237370|4.518428|4.900511|6.512039|5.251958|4.948483|5.684120|4.396406|3.467033|3.274398|3.725864|5.203559|2.450292|6.687563|0.116880|4.797890|3.911893|3.770187|2.988310|2.538656|2.581594|3.048716|7.229227|0.078414|0.075970|0.078602|0.110001|0.500000| |6.984262|8.929557|5.627136|4.905028|5.603930|4.176590|3.965277|4.776102|7.146950|9.856968|0.222015|8.892767|17.718055|3.033261|0.076937|2.818501|3.553598|3.287060|3.335218|3.668837|2.641105|2.282071|2.274352|1.982999|1.778562|1.780267|1.985129|2.855032|1.457825|3.725893|0.077555|2.859889|2.240435|2.060989|1.776404|1.680788|1.779163|2.068098|3.531126|0.152061|0.221547|0.152050|0.124137|0.096085|0.500000| |2.574814|3.159090|3.462089|4.310016|5.046288|6.394014|6.102616|4.671295|7.018213|5.672117|0.098012|4.235608|3.404866|6.017296|0.173598|6.656890|6.481760|6.318915|8.173993|12.488150|17.628814|8.845763|7.247166|4.755591|3.959104|4.167447|5.576796|5.546242|2.667040|5.555961|0.106536|3.433573|3.482499|3.762693|2.950800|2.531922|2.449502|2.857979|4.267101|0.065275|0.067242|0.070739|0.085316|0.185027|0.083763|0.500000| |2.173049|2.544055|2.698144|3.133278|3.504853|4.085463|4.198833|3.606324|5.874964|4.425265|0.080852|3.189174|2.722807|4.500923|0.126533|5.735191|6.326830|7.118483|10.699567|12.793047|17.642983|8.820295|5.869802|4.294761|3.960991|4.588740|6.709982|5.525390|2.760330|4.644048|0.092468|2.828685|3.109518|3.526506|2.861576|2.498880|2.347165|2.670117|3.119453|0.055329|0.057776|0.060518|0.068500|0.115986|0.069711|0.303352|0.500000| |2.350201|2.831904|3.310305|4.233885|4.371956|5.512067|4.656536|3.494705|5.370745|4.354355|0.076461|3.424718|2.868895|4.835162|0.167405|4.449165|4.679980|4.407781|5.150847|6.758850|6.966393|8.888807|17.690275|8.990718|5.654048|4.958884|5.662145|7.639321|3.335571|4.933840|0.089134|3.258855|3.340242|3.703636|3.053286|2.503512|2.382173|2.660207|5.069799|0.061765|0.060063|0.064666|0.085503|0.204305|0.069887|0.221952|0.152034|0.500000| |1.869062|2.153199|2.467797|2.945385|2.932846|3.451166|3.134834|2.531408|4.098668|3.175472|0.057839|2.446383|2.147540|3.425397|0.116624|3.182446|3.638835|3.467207|3.866742|4.591807|4.077771|5.614129|8.886868|17.741965|8.958264|5.656543|4.967607|13.516906|4.874231|3.980408|0.071919|2.712886|2.964581|3.406282|3.100864|2.485576|2.291823|2.412973|3.552838|0.050376|0.048187|0.051527|0.066348|0.117641|0.053759|0.112849|0.099343|0.215529|0.500000| |1.496202|1.684258|1.808595|2.058085|2.181340|2.546365|2.611921|2.251222|3.890618|2.737566|0.051456|1.974441|1.747048|3.106307|0.096856|3.383172|4.208639|4.356330|4.884184|5.132979|4.099654|5.637729|4.964691|5.630992|8.857905|17.766942|8.965118|12.484577|7.411847|3.814034|0.072534|2.392378|3.090020|4.068699|3.993027|3.207456|2.658393|2.677848|2.203188|0.039781|0.039835|0.041273|0.047830|0.077402|0.045437|0.096117|0.108554|0.107698|0.124114|0.500000| |1.708237|1.951767|2.069167|2.375534|2.609847|3.107123|3.308802|2.842918|4.915496|3.382135|0.063123|2.387275|2.070420|4.035876|0.120514|5.031665|6.108278|6.858365|8.760602|8.886906|6.997912|8.912544|5.663242|4.964491|5.653197|8.970491|17.703444|7.470281|3.911296|4.625478|0.090222|2.742068|3.526866|4.617479|3.907316|3.255002|2.807407|3.031483|2.453664|0.044657|0.045717|0.047076|0.053622|0.091689|0.053873|0.140452|0.190436|0.124128|0.107759|0.218257|0.500000| |1.354735|1.509424|1.628132|1.836537|1.909814|2.194285|2.215049|1.926815|3.337583|2.372299|0.044852|1.727167|1.547599|2.575469|0.080785|2.619043|3.306996|3.284322|3.499867|3.717261|2.895009|3.702202|3.765022|4.720487|6.978482|6.686559|4.549973|16.416290|17.570160|3.323815|0.062492|2.186779|2.768825|3.474975|3.798882|3.061744|2.536754|2.434447|1.997422|0.036518|0.036002|0.037244|0.043583|0.067163|0.040309|0.072788|0.075620|0.087569|0.118904|0.223995|0.112702|0.500000| |1.317035|1.456459|1.584617|1.774223|1.803208|2.030758|1.998848|1.746830|2.993318|2.191466|0.041487|1.622271|1.471480|2.243312|0.070177|2.235992|2.804767|2.779477|2.975552|3.181922|2.539593|3.176009|3.419145|4.426690|5.890844|4.894683|3.616834|16.986289|17.667304|2.876230|0.054159|1.948685|2.320663|2.756271|2.920427|2.439406|2.114205|2.051400|1.964027|0.035710|0.034819|0.036392|0.042962|0.062553|0.038224|0.065785|0.067029|0.082411|0.121751|0.145223|0.089029|0.300071|0.500000| |1.357191|1.504448|1.629310|1.825574|1.870735|2.113008|2.096034|1.833631|3.144592|2.293562|0.043412|1.689708|1.528174|2.367395|0.073485|2.446262|3.067691|3.119759|3.415207|3.600906|2.925147|3.743842|3.821846|4.802777|7.072056|6.709701|4.584965|16.425768|17.580045|2.970576|0.056510|1.964286|2.369786|2.879462|2.956427|2.478737|2.127294|2.098112|1.999081|0.036475|0.035960|0.037672|0.043942|0.064654|0.039749|0.073616|0.078836|0.088968|0.121123|0.220803|0.113207|0.298529|0.299931|0.500000| |2.279420|2.745668|2.901644|3.507369|4.254263|5.576833|6.461519|5.174809|8.652005|5.616699|0.099535|3.815178|3.049795|7.084577|0.196578|4.614517|5.462122|4.309275|4.143630|4.965811|3.325436|3.309298|3.431243|3.119721|2.798525|2.728116|2.933373|4.463261|2.214891|12.296431|0.181538|17.647159|6.790579|4.876318|3.891855|3.411019|3.890106|4.934815|3.410109|0.061680|0.060783|0.058381|0.071708|0.152699|0.077412|0.097079|0.078141|0.099409|0.083886|0.068352|0.076032|0.063711|0.057413|0.057064|0.500000| |2.029988|2.373471|2.412933|2.773863|3.317295|4.008642|4.901288|4.641839|8.914726|5.018288|0.094275|3.222641|2.675286|5.576150|0.140068|4.224657|5.579729|4.339546|3.958397|4.474771|2.863443|2.801881|2.774320|2.564573|2.407927|2.423251|2.599942|3.897004|1.999551|12.362551|0.217593|17.680718|7.589037|4.757138|3.973636|3.821886|4.883201|6.754853|2.637511|0.054856|0.055358|0.052051|0.060199|0.105537|0.070650|0.080914|0.069391|0.077971|0.068198|0.062497|0.069786|0.058428|0.051977|0.051922|0.300046|0.500000| |2.478165|3.002634|3.005862|3.516660|4.527600|5.532242|7.352728|7.485519|13.580315|7.497463|0.134712|4.530506|3.537405|6.799003|0.155311|4.779670|6.000563|4.619940|4.291482|4.997806|3.198084|2.973795|2.945048|2.614478|2.382176|2.394276|2.643695|3.789597|1.919530|12.247027|0.230879|17.748452|5.624940|4.074996|3.264139|3.061467|3.583436|4.798795|3.159782|0.066122|0.067587|0.062442|0.072591|0.132437|0.092198|0.094208|0.076880|0.085781|0.069477|0.060790|0.070790|0.055102|0.049736|0.050461|0.298331|0.302140|0.500000| |1.820577|2.117334|2.218092|2.592246|3.003056|3.789951|4.455711|3.771742|6.908233|4.127635|0.076388|2.770528|2.316019|6.097447|0.177869|4.765440|6.069208|4.770215|4.436494|5.100061|3.283572|3.456067|3.411674|3.248294|3.134800|3.167076|3.319363|5.025630|2.560866|12.438256|0.186376|8.122777|17.606656|8.994480|7.126281|5.835860|6.929413|8.844289|2.601569|0.049063|0.049040|0.047713|0.056271|0.108387|0.060343|0.088751|0.077890|0.091093|0.084408|0.081311|0.087380|0.076802|0.065478|0.065001|0.223894|0.235326|0.155312|0.500000| |1.816985|2.121891|2.268286|2.696002|3.079393|4.011516|4.544974|3.587758|6.265626|3.976850|0.072472|2.744201|2.287318|6.879271|0.244058|6.303817|7.164861|5.964366|5.997099|7.319708|4.814007|5.750034|5.313905|4.969109|4.971044|5.327626|5.758615|7.218638|3.543220|8.963386|0.147086|4.845641|8.746565|17.578846|8.864861|5.499175|4.816315|5.480069|2.796369|0.048349|0.048479|0.048577|0.057864|0.122018|0.058858|0.119972|0.108527|0.127431|0.117180|0.128609|0.142951|0.107779|0.085503|0.089396|0.139406|0.121423|0.110389|0.214402|0.500000| |1.723330|1.989535|2.067320|2.392202|2.767843|3.461675|4.146825|3.571402|6.657196|3.903116|0.072916|2.591434|2.182334|6.152431|0.171508|7.213746|10.052874|8.237984|7.407167|8.003774|4.563834|4.823680|4.034956|3.682165|3.840397|4.503104|5.190675|5.745019|3.016400|8.800531|0.167363|4.409503|8.798982|17.633378|8.885577|6.867576|5.729640|6.878637|2.389862|0.045515|0.046667|0.046116|0.052570|0.098320|0.057364|0.109398|0.108435|0.099228|0.087970|0.117467|0.149549|0.092881|0.073217|0.079286|0.114763|0.115179|0.104509|0.174826|0.301830|0.500000| |1.526531|1.734956|1.831933|2.100513|2.320152|2.802929|3.077992|2.664155|4.823895|3.081379|0.058042|2.134294|1.848161|3.968387|0.122453|3.672071|4.807216|4.200397|4.025933|4.407448|2.974945|3.386070|3.325761|3.450674|3.674008|3.758981|3.595998|6.155620|3.280443|6.188033|0.109577|3.967510|6.936573|8.807738|17.508831|8.829231|6.781057|5.695210|2.179620|0.041251|0.041043|0.040736|0.047582|0.082988|0.048424|0.077001|0.072756|0.083635|0.088621|0.101471|0.094520|0.105011|0.083131|0.080496|0.113516|0.113120|0.090400|0.213578|0.214550|0.173932|0.500000| |1.475095|1.669734|1.757695|2.005000|2.209425|2.651342|2.915683|2.543057|4.615118|2.954177|0.055867|2.043636|1.777995|3.779027|0.115091|3.862100|5.156539|4.756982|4.616029|4.878288|3.275849|3.828451|3.536199|3.671571|4.216962|4.753521|4.458607|6.874593|3.832842|5.453277|0.101242|3.303981|5.559137|8.891468|17.569787|8.808972|5.497162|4.855463|2.076622|0.039546|0.039736|0.039729|0.045739|0.078224|0.046743|0.081169|0.081379|0.085325|0.090134|0.135544|0.121238|0.129253|0.092838|0.095659|0.092047|0.091081|0.078634|0.144728|0.216691|0.215987|0.303865|0.500000| |1.337679|1.493342|1.542303|1.721538|1.897856|2.205370|2.454410|2.263945|4.257168|2.656568|0.051400|1.809854|1.599921|3.020730|0.086033|3.029113|4.336757|3.959323|3.637175|3.701499|2.431369|2.626533|2.474338|2.511632|2.722174|2.930770|2.867652|4.637400|2.633834|4.772809|0.093331|3.078566|4.869145|5.481204|8.831610|17.564836|8.835535|5.489778|1.744552|0.036077|0.036438|0.035791|0.040195|0.062939|0.042766|0.062421|0.061991|0.063038|0.064659|0.083778|0.080575|0.084567|0.067702|0.067534|0.082587|0.091342|0.073996|0.130755|0.123542|0.140518|0.214616|0.211206|0.500000| |1.421935|1.596814|1.637315|1.833184|2.055875|2.412807|2.765016|2.570701|4.930298|2.957761|0.057251|1.978327|1.732176|3.513059|0.096811|3.760141|5.705743|5.227045|4.597247|4.529318|2.833375|2.983479|2.683502|2.627132|2.836661|3.200001|3.297098|4.636849|2.603760|5.537321|0.112541|3.311873|5.644371|6.783954|8.857686|17.521011|8.852177|6.739739|1.831646|0.037989|0.038876|0.038074|0.042310|0.067859|0.046436|0.071139|0.072300|0.067880|0.065995|0.091035|0.096401|0.082580|0.065412|0.068377|0.085890|0.095735|0.080329|0.133434|0.140084|0.202883|0.173598|0.214883|0.303493|0.500000| |1.482642|1.669260|1.714836|1.923409|2.156540|2.524919|2.870731|2.672774|5.108329|3.082923|0.059565|2.069575|1.809403|3.519584|0.097713|3.251848|4.610443|3.924785|3.549004|3.744417|2.426866|2.539120|2.453630|2.424942|2.476087|2.563245|2.595991|4.160309|2.252102|6.256511|0.120057|4.327703|6.795627|5.589534|6.752898|8.841318|17.510481|8.842444|1.920971|0.040169|0.040463|0.039127|0.044270|0.070903|0.048368|0.064401|0.060681|0.064704|0.063648|0.069753|0.071292|0.069189|0.058627|0.057661|0.112683|0.141894|0.099183|0.203864|0.125015|0.131417|0.197948|0.138882|0.215951|0.173742|0.500000| |1.419439|1.586314|1.606486|1.780076|2.004977|2.311301|2.666731|2.577934|5.084909|2.978878|0.058529|1.967081|1.733494|3.230029|0.086235|3.195272|4.838753|4.209691|3.669060|3.705958|2.342180|2.386296|2.236581|2.175892|2.244951|2.395705|2.475453|3.741331|2.060603|5.599700|0.116979|3.683124|5.519790|4.844020|5.498608|8.808425|17.574910|8.877092|1.751157|0.038212|0.039086|0.037569|0.041416|0.063668|0.046938|0.061428|0.059676|0.058841|0.056478|0.066240|0.070246|0.063245|0.053356|0.053888|0.092107|0.116994|0.089132|0.141205|0.106566|0.128861|0.138929|0.123214|0.210350|0.215602|0.303803|0.500000| |1.680011|1.917592|1.930748|2.175380|2.548678|3.042571|3.776293|3.672292|7.627211|3.975164|0.077122|2.520052|2.149153|4.957080|0.121615|5.185563|8.792488|6.695977|5.365434|5.435694|3.152069|3.062865|2.752857|2.543646|2.562180|2.804563|3.091044|4.075523|2.181405|9.400087|0.223366|5.060541|8.900726|6.901077|5.704127|6.758061|8.808425|17.547305|2.094442|0.044564|0.046308|0.044310|0.048850|0.081582|0.057988|0.081719|0.078521|0.072556|0.064414|0.075167|0.089131|0.065914|0.055285|0.057716|0.116859|0.149113|0.121626|0.174239|0.140996|0.206221|0.132037|0.127504|0.138730|0.197459|0.173383|0.214975|0.500000| |1.719315|1.962662|1.973814|2.219223|2.595962|3.067554|3.753675|3.692996|7.622139|4.043898|0.078647|2.572792|2.199250|4.623107|0.115310|4.192048|6.290731|4.908680|4.212193|4.462196|2.736108|2.686143|2.535629|2.374292|2.337823|2.452114|2.631063|3.794408|2.010123|9.797965|0.215363|6.561054|8.778533|5.486606|4.856317|5.493681|8.840124|17.539969|2.129934|0.046099|0.047390|0.044837|0.049915|0.081879|0.059334|0.073746|0.067840|0.068545|0.061748|0.065116|0.073287|0.060103|0.051847|0.052589|0.143083|0.234961|0.150193|0.210611|0.122567|0.140449|0.127416|0.106916|0.123473|0.138908|0.215869|0.213883|0.302705|0.500000| |3.362840|4.291229|5.946203|8.818460|6.590593|6.312994|4.429762|3.570815|5.217662|4.997080|0.086569|4.539615|3.944315|3.757570|0.114496|3.292857|3.683251|3.433453|3.809572|4.651886|4.097268|3.977919|4.834124|4.001620|3.111142|2.841371|3.106960|4.838442|2.278239|4.091787|0.076203|2.986562|2.622231|2.634435|2.250500|1.958010|1.953312|2.194081|17.539518|0.088575|0.080976|0.092786|0.155074|0.214408|0.089915|0.142994|0.100870|0.184769|0.115095|0.068051|0.076637|0.060348|0.059305|0.061265|0.091609|0.071422|0.084047|0.073215|0.083224|0.070522|0.062855|0.061055|0.050017|0.052917|0.053942|0.049383|0.059555|0.059261|0.500000| 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