Version2.1 2020-12-14T12:45:21Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 13-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CN4CCN(C(=O)C3(NS(=O)(=O)c2ccc1c(Cl)cnc(N=C(N)N)c1c2)CCCC3)CC4 377525 CHEMBL226714 RHF 6-31G(d) (6D,7F) CN4CCN(C(=O)C3(NS(=O)(=O)c2ccc1c(Cl)cnc(N=C(N)N)c1c2)CCCC3)CC4 C01[X(C21H28Cl1N7O3S1)] 177 C1 559 CN1CCN(CC1)C(=O)C1(CCCC1)NS(=O)(=O)c1ccc2c(c1)c(ncc2Cl)N=C(N)N CN1CCN(CC1)C(=O)C1(CCCC1)NS(=O)(=O)c1ccc2c(c1)c(ncc2Cl)N=C(N)N CN1CCN(CC1)C(=O)C2(CCCC2)N[S](=O)(=O)c3ccc4c(Cl)cnc(N=C(N)N)c4c3 InChIKey=KHAPOCZPLRRWRN-UHFFFAOYSA-N InChI=1S/C21H28ClN7O3S/c1-28-8-10-29(11-9-28)19(30)21(6-2-3-7-21)27-33(31,32)14-4-5-15-16(12-14)18(26-20(23)24)25-13-17(15)22/h4-5,12-13,27H,2-3,6-11H2,1H3,(H4,23,24,25,26) InChI=1/C21H28ClN7O3S/c1-28-8-10-29(11-9-28)19(30)21(6-2-3-7-21)27-33(31,32)14-4-5-15-16(12-14)18(26-20(23)24)25-13-17(15)22/h4-5,12-13,27H,2-3,6-11H2,1H3,(H4,23,24,25,26)/f/h23-24H2 CN4CCN(C(=O)C3(NS(=O)(=O)c2ccc1c(Cl)cnc(N=C(N)N)c1c2)CCCC3)CC4 C01[X(C21H28Cl1N7O3S1)] 177 C01 559 CN1CCN(CC1)C(=O)C1(CCCC1)NS(=O)(=O)c1ccc2c(c1)c(ncc2Cl)N=C(N)N CN1CCN(CC1)C(=O)C1(CCCC1)N[S@]([O])(=O)[C]1[CH][CH][C]2[C]([CH]1)[C]([N][CH][C]2Cl)[N][C]([NH2])N CN1CCN(CC1)C(=O)C2(CCCC2)N[S]([O])(=O)[C]3[CH][CH][C]4[C](Cl)[CH][N][C]([N][C](N)N)[C]4[CH]3 InChIKey=TWAZEYNIZCQOMP-UHFFFAOYSA-N InChI=1S/C21H28ClN7O3S/c1-28-8-10-29(11-9-28)19(30)21(6-2-3-7-21)27-33(31,32)14-4-5-15-16(12-14)18(26-20(23)24)25-13-17(15)22/h4-5,12-13H,2-3,6-11H2,1H3,(H,27,31,32)(H4,23,24,25,26) InChI=1/C21H28ClN7O3S/c1-28-8-10-29(11-9-28)19(30)21(6-2-3-7-21)27-33(31,32)14-4-5-15-16(12-14)18(26-20(23)24)25-13-17(15)22/h4-5,12-13H,2-3,6-11H2,1H3,(H,27,31,32)(H4,23,24,25,26)/f/h27H,23-24H2 4062.7256333210 -2274.2074712 1-A 17593.1392 130 429 559 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1782.85 1811.18 1846.90 1849.54 1851.74 1899.54 1899.96 1921.77 1933.55 1944.07 1974.49 1990.28 2004.95 2008.50 2018.97 2047.77 2051.33 2095.94 2099.89 2102.70 2110.70 2115.82 2140.56 2152.30 2169.90 2175.00 2186.27 2223.94 2235.01 2262.10 2264.65 2271.94 2295.46 2317.07 2321.57 2333.14 2347.43 2353.47 2360.55 2361.29 2366.25 2369.77 2379.89 2384.49 2397.25 2400.00 2403.86 2468.22 2532.81 2576.55 2607.26 2618.62 2664.77 2714.90 4514.76 4532.22 4579.38 4603.27 4611.17 4612.17 4624.78 4640.36 4658.06 4662.36 4665.06 4672.04 4689.13 4706.48 4716.56 4732.62 4839.86 4846.40 4882.26 4883.44 4900.44 4924.64 4963.91 5445.64 5479.74 5482.15 5648.52 5654.00 0.537195 0.565959 0.566903 0.475308 -2273.670276 -2273.641512 -2273.640568 -2273.732163 3.072111D-04 MUNgauss RevisionA2.0 retrievium 14-Dec-2020 DUDE CN4CCN(C(=O)C3(NS(=O)(=O)c2ccc1c(Cl)cnc(N=C(N)N)c1c2)CCCC3)CC4 377525 CHEMBL226714 RHF 6-31G(d) (6D,10F) C1 493.166288 |X|Y|Z| 59.641320 47.947155 108.337903 67.664909 24 6 7 16 19 4 1 |36.858105| |13.178664|53.358707| |7.925729|17.868729|36.858105| |5.091451|10.631244|12.526498|36.858105| |4.508216|9.100888|7.767155|13.067383|53.358707| |3.507213|6.288567|5.410405|7.868915|19.198277|36.858105| |3.148298|5.405730|4.928914|7.044375|11.602530|15.788049|73.516695| |2.968094|5.030712|3.928005|4.928803|10.271857|12.214151|14.248492|36.858105| |3.084436|5.065602|3.766962|4.258324|8.404684|7.580085|9.883237|12.918396|53.358707| |3.157760|4.934865|3.742488|3.891615|6.878861|5.802134|8.628719|6.802936|15.781967|388.023441| |3.016367|4.513944|3.233132|3.226565|5.455942|4.230924|6.409402|4.938152|10.692544|94.633465|73.516695| |3.793383|6.025231|4.856932|4.843155|8.265018|6.600425|10.055887|6.072289|10.509771|94.810258|13.563562|73.516695| |2.513785|3.813350|2.984377|3.146222|5.159359|4.580602|7.727619|5.362501|9.265208|76.632587|13.132450|13.121722|36.858105| |2.189514|3.245251|2.475382|2.574864|4.122323|3.505535|5.928813|4.159811|7.065355|49.121126|11.603162|8.865549|13.506412|36.858105| |1.924518|2.823473|2.173778|2.264932|3.517876|2.981436|5.236326|3.423293|5.327649|33.664226|7.933725|6.871238|7.935483|13.988012|36.858105| |1.876466|2.761212|2.174863|2.286921|3.482780|2.998462|5.494003|3.315839|4.839888|29.768166|6.575856|6.573448|6.844895|7.902544|13.455968|36.858105| |1.659515|2.417768|1.902142|1.993672|2.968202|2.508952|4.656054|2.715586|3.849438|22.675501|5.168473|5.198590|4.528211|5.089340|7.572192|13.355492|36.858105| |1.486097|2.141256|1.654667|1.717920|2.549291|2.104501|3.827482|2.295881|3.298114|19.072290|4.576076|4.324821|3.543297|4.225936|6.054335|6.890858|10.925964|448.794386| |1.610723|2.346964|1.870487|1.969034|2.877623|2.432640|4.633306|2.556690|3.507858|20.275955|4.543589|4.837582|3.839962|3.963800|5.119127|7.946960|14.108754|57.051240|36.858105| |1.719303|2.524685|2.050188|2.178268|3.153108|2.701687|5.307721|2.762422|3.691182|21.259711|4.606985|5.241699|3.973334|3.788954|4.504051|6.767835|7.976856|38.527673|14.112502|53.358707| |1.943237|2.890235|2.377715|2.550262|3.740457|3.293572|6.578960|3.343846|4.446049|26.128036|5.408708|6.513556|5.113102|4.495293|5.068527|7.722134|6.916233|34.023344|8.304627|19.849497|36.858105| |2.094550|3.152933|2.671212|2.914812|4.183879|3.738460|7.945711|3.569542|4.537110|26.039439|5.243039|6.896297|4.643784|3.831873|3.970648|5.204962|4.634022|26.130432|5.330979|10.997972|14.005858|53.358707| |1.958227|2.927598|2.493693|2.721349|3.770934|3.272189|7.035486|3.049591|3.811826|21.214010|4.407269|5.684887|3.539293|3.042917|3.162273|3.965861|3.804667|22.800114|4.557846|9.147640|8.099612|20.044933|36.858105| |1.731537|2.549445|2.132478|2.289669|3.154501|2.663450|5.516544|2.537336|3.227126|17.905666|3.846145|4.705259|2.976809|2.682907|2.870063|3.600476|3.715310|22.836123|4.732495|9.446556|6.584215|10.959468|14.167150|53.358707| |2.069895|3.126260|2.727058|3.035001|4.065340|3.501269|7.868939|3.100488|3.758707|20.355795|4.215020|5.615179|3.188203|2.705738|2.716888|3.224602|3.038408|19.140931|3.455046|6.207601|5.370350|11.483305|14.023485|11.322322|53.358707| |2.068460|3.086567|2.495445|2.659463|4.045673|3.594639|6.832730|3.843701|5.409268|33.657711|6.827603|7.846568|7.942812|6.830509|7.835616|13.566755|7.921619|37.912968|7.023007|10.818378|13.144075|10.945729|5.286458|5.996331|5.635807|36.858105| |2.423593|3.686664|3.003637|3.221101|5.083691|4.671361|8.656472|5.011527|7.324788|50.025823|8.890370|11.541886|13.967279|7.893688|6.826327|7.836225|5.141715|29.436959|4.624975|7.063122|7.675999|9.460621|4.735784|5.137559|5.548713|13.538578|36.858105| |2.439027|3.957749|3.154776|3.849552|6.806541|7.476511|12.615535|12.284088|10.261391|38.683893|7.303216|8.522772|5.498000|4.386098|3.809105|3.847763|3.146309|20.795992|2.981614|4.429957|3.986464|5.726648|3.527132|3.957691|4.753058|4.545111|5.623955|36.858105| |2.221157|3.595652|2.832704|3.515879|5.914988|5.834740|10.197253|7.789909|7.039253|27.514822|5.671146|6.339530|3.830405|3.315104|3.018570|3.068496|2.659799|18.204156|2.578218|3.801120|3.245855|4.698864|3.092301|3.584296|4.295539|3.470744|3.932809|12.481062|36.858105| |2.279557|3.709403|2.798599|3.428227|5.947804|5.325920|8.299521|7.633337|7.387986|26.846020|5.812779|6.028016|3.478557|3.103265|2.760490|2.689083|2.337766|16.544540|2.226251|3.199968|2.680417|3.797150|2.517680|2.985382|3.492107|2.928668|3.346353|8.002610|12.468771|36.858105| |2.772225|4.686247|3.472121|4.353113|8.484890|7.448295|9.866455|12.112213|10.491053|33.240048|7.028885|7.514697|3.849503|3.295936|2.813006|2.697769|2.298256|16.171957|2.175029|3.142674|2.679199|3.841904|2.516076|2.944440|3.520159|2.982707|3.586776|7.761506|7.904887|12.398959|36.858105| |5.081909|10.583653|6.686259|7.848376|17.808363|7.546532|9.380921|6.259098|8.297208|34.658482|7.556870|9.607411|3.480160|2.898298|2.443785|2.347447|2.009411|14.189947|1.919859|2.797850|2.388960|3.508467|2.328974|2.723276|3.335498|2.628266|3.241392|4.178474|3.732522|4.094444|6.055100|36.858105| |7.936175|17.864611|7.992215|6.697800|10.557619|5.289226|7.452990|4.483910|6.557965|32.344229|7.503379|9.568227|3.247909|2.744610|2.321476|2.220464|1.911613|13.606691|1.825415|2.647130|2.242596|3.271387|2.182126|2.577825|3.106368|2.463768|3.010451|3.317195|2.935898|3.116854|4.149762|12.496764|36.858105| |17.425394|12.196482|6.991029|4.591933|5.738100|3.422738|5.520369|2.931579|4.259904|23.951463|5.769129|7.380396|2.674947|2.323742|2.034575|1.979057|1.742451|12.499241|1.685564|2.445622|2.036497|2.972507|2.025946|2.437103|2.884393|2.182005|2.568664|2.434094|2.174892|2.205493|2.660911|4.592570|7.006515|0.500000| |17.567994|12.467985|5.704406|4.220467|5.390922|3.145588|4.973972|2.771741|3.974437|20.944826|5.171443|6.013959|2.348593|2.084361|1.832490|1.768460|1.569888|11.414907|1.515515|2.180727|1.795951|2.601311|1.786721|2.169902|2.548391|1.921459|2.231083|2.283615|2.101563|2.196476|2.662461|4.733161|7.221172|0.300134|0.500000| |17.567003|12.470712|7.215564|4.742877|5.391291|3.163517|5.215446|2.660467|3.671546|19.558929|4.633796|5.825858|2.269865|1.990112|1.776447|1.751478|1.566217|11.273397|1.534332|2.237633|1.844876|2.725084|1.900015|2.300428|2.761583|1.932672|2.229392|2.242529|2.072461|2.105543|2.504411|4.210461|5.708303|0.300013|0.301750|0.500000| |7.020282|12.256622|17.434027|8.874308|9.414097|5.394709|8.969641|3.968848|5.370105|29.906598|6.326599|10.528938|3.337534|2.714804|2.369463|2.378811|2.060337|14.243915|2.022556|3.031821|2.614420|4.011256|2.710125|3.124251|3.989365|2.763109|3.384940|3.234986|2.806800|2.718739|3.334962|5.829288|7.109397|0.205143|0.142648|0.173102|0.500000| |7.305410|12.510421|17.549140|8.929418|7.676804|4.334897|7.448985|3.277740|4.240920|22.139326|4.881563|6.930055|2.599215|2.198363|1.967397|1.986790|1.765289|12.396036|1.753531|2.620589|2.203249|3.382703|2.374433|2.797039|3.581348|2.266873|2.655705|2.753540|2.533738|2.485774|2.974652|4.982340|5.738468|0.175245|0.147431|0.222810|0.300478|0.500000| |4.192691|7.684851|8.852685|17.712270|12.518464|7.727210|15.174240|4.736285|5.410999|26.531354|5.393509|8.304415|3.181986|2.582209|2.307189|2.382009|2.086306|14.240661|2.090436|3.204712|2.779528|4.468485|3.108047|3.493031|4.885752|2.827239|3.398388|3.961989|3.612981|3.342748|4.033711|5.699455|5.005733|0.109847|0.097680|0.112544|0.216384|0.212187|0.500000| |4.745943|9.595144|8.908100|17.521055|12.476574|6.168349|9.986845|4.316952|5.034667|23.404205|5.029280|6.859067|2.724640|2.293247|2.041027|2.055530|1.816965|12.730619|1.799010|2.688964|2.272442|3.497003|2.441880|2.848006|3.714838|2.349524|2.770141|3.463770|3.341538|3.347596|4.170143|7.017896|5.852013|0.113678|0.113693|0.127408|0.174166|0.218294|0.300969|0.500000| |2.769121|4.425804|3.204300|3.553721|6.597744|5.610439|7.859061|9.103268|25.928723|61.629879|13.680398|10.217600|6.092688|5.245908|3.947643|3.455812|2.775230|19.583945|2.491098|3.487903|3.012475|4.070803|2.541348|2.989308|3.374691|3.676253|4.685973|6.626413|4.930942|5.553455|7.349614|5.090624|4.156290|0.077769|0.074448|0.067715|0.091908|0.075457|0.092347|0.088939|0.500000| |2.186603|3.215584|2.392835|2.461194|3.958846|3.263733|5.373655|3.917928|6.966055|46.961183|13.436336|8.214455|8.851958|17.754537|8.990884|5.621597|4.115822|29.880380|3.296537|4.263613|3.587167|4.312151|2.607869|3.173945|3.227700|4.933092|5.644315|3.931208|3.078943|3.010552|3.237235|2.887982|2.762747|0.064429|0.058599|0.054823|0.072210|0.058958|0.067330|0.061473|0.152686|0.500000| |1.769375|2.569718|1.955107|2.023517|3.113149|2.584931|4.516994|2.956078|4.572857|27.815070|6.949424|5.773114|5.643373|9.016642|17.773462|8.833381|6.891505|55.877562|4.646258|5.321189|4.123648|4.504701|2.744460|3.484816|3.245320|5.601183|4.932218|3.245156|2.682888|2.506121|2.525367|2.199704|2.104684|0.051834|0.047216|0.045519|0.058663|0.049543|0.056914|0.051256|0.096484|0.216639|0.500000| |1.480798|2.143761|1.700572|1.783105|2.580073|2.150960|4.085168|2.247172|3.069791|17.482249|3.989449|4.198700|3.164648|3.294578|4.130584|5.638508|9.053205|54.432916|17.736462|12.608839|5.887793|5.878227|3.972660|5.959239|4.221715|5.031904|3.669332|2.589382|2.303808|2.012083|1.953691|1.734330|1.655955|0.042926|0.038850|0.039393|0.050732|0.044649|0.052476|0.045667|0.060995|0.078829|0.109741|0.500000| |1.651501|2.419921|1.996338|2.129321|2.974759|2.508613|5.080261|2.451020|3.168225|17.711766|3.847669|4.556505|3.021776|2.794072|3.081457|3.981655|4.331484|26.049430|5.968269|12.755985|7.323539|10.038270|9.531636|25.974329|8.155536|4.716637|3.808062|2.829355|2.549116|2.139049|2.096596|1.914235|1.815720|0.047576|0.042506|0.044569|0.059707|0.053162|0.065267|0.054176|0.060547|0.067068|0.076816|0.155732|0.500000| |1.650148|2.426490|2.027399|2.184208|2.973395|2.482908|5.141046|2.351308|2.962471|16.149687|3.502532|4.247229|2.612814|2.373299|2.514843|3.058894|3.166945|20.295195|3.918908|7.133938|4.963140|8.072100|9.428390|26.070645|10.527102|3.619984|3.209342|2.676342|2.494481|2.087470|2.044231|1.890734|1.787346|0.047086|0.042283|0.045048|0.059922|0.054818|0.068132|0.056112|0.056255|0.058195|0.063214|0.104445|0.309366|0.500000| |2.311148|3.548596|3.173294|3.607038|4.793124|4.202515|9.986168|3.549049|4.221062|22.760116|4.604878|6.464877|3.467098|2.851508|2.784486|3.235734|2.945473|18.631698|3.230594|5.624706|5.109780|10.935071|9.565834|8.188261|25.997101|4.224740|4.450195|3.917370|3.466248|2.803475|2.889083|2.795931|2.582290|0.065600|0.057476|0.062698|0.095360|0.084218|0.122512|0.088168|0.075803|0.069490|0.067250|0.079615|0.133243|0.153433|0.500000| |1.983140|2.958596|2.576817|2.818426|3.684056|3.068418|6.710337|2.709701|3.324567|18.012772|3.808056|4.985772|2.766251|2.393948|2.410132|2.816941|2.707973|17.508161|3.084334|5.372189|4.381053|8.325719|9.369216|10.369617|26.051847|3.477751|3.413659|2.975005|2.752780|2.294641|2.317136|2.253035|2.126985|0.056321|0.049847|0.054614|0.076451|0.070447|0.092240|0.071374|0.061429|0.059106|0.059659|0.078930|0.151675|0.223472|0.313232|0.500000| |2.639697|4.083716|3.455824|3.772791|5.883997|5.591278|11.067367|5.408475|7.328051|47.519690|8.146018|13.032964|8.958525|5.616514|4.934281|5.614698|4.193288|24.936023|4.042061|6.515362|7.107456|10.905677|5.379672|5.481002|6.597336|8.903478|17.799162|5.859709|4.105044|3.423028|3.750133|3.551328|3.275711|0.077508|0.066340|0.067708|0.109917|0.084299|0.114020|0.087837|0.123937|0.123986|0.107285|0.091892|0.108032|0.095386|0.155955|0.109890|0.500000| |2.266374|3.592685|2.795580|3.258692|5.623145|5.560416|9.226961|8.858485|10.191159|39.882819|7.835233|8.037081|6.179375|5.223512|4.480020|4.345913|3.470363|23.107865|3.171901|4.552834|4.035952|5.422892|3.295326|3.793768|4.275567|4.867627|5.850956|17.533238|8.901437|7.043360|6.509109|3.694704|3.043886|0.063436|0.059639|0.057709|0.080403|0.068268|0.091708|0.082192|0.206089|0.129548|0.105404|0.076005|0.077144|0.070777|0.095013|0.075101|0.152629|0.500000| |2.419710|3.890638|3.206237|3.890098|6.518361|7.241582|14.599205|8.643478|8.406267|37.387336|6.885859|8.824556|5.800291|4.430403|3.972300|4.263351|3.463250|21.982991|3.364516|5.210865|4.925623|7.438629|4.401504|4.716561|5.886027|5.448925|6.817292|17.700978|8.706447|5.678913|5.647321|3.832843|3.166836|0.067750|0.062103|0.062381|0.093296|0.078454|0.116429|0.095245|0.146267|0.105817|0.092026|0.079833|0.092508|0.087158|0.137363|0.098603|0.212064|0.301497|0.500000| |1.977013|3.131469|2.457213|2.956498|4.761682|4.455322|8.088139|5.585592|5.761321|24.047187|5.097629|5.503676|3.533698|3.181430|3.002509|3.093004|2.743896|18.902685|2.675199|3.907538|3.256242|4.604241|3.068169|3.632847|4.178491|3.421370|3.675659|8.718755|17.567972|8.680382|5.632686|3.084218|2.524202|0.054080|0.052217|0.051631|0.068128|0.062055|0.085120|0.078631|0.116083|0.081727|0.075037|0.066864|0.072594|0.070587|0.090871|0.074631|0.103614|0.217352|0.199840|0.500000| |2.278384|3.724330|3.000550|3.858543|6.260778|6.154234|11.628627|6.778715|6.129674|25.041435|5.153893|6.092843|3.431034|2.936397|2.701692|2.799029|2.465071|16.829174|2.442702|3.669986|3.128190|4.710197|3.195334|3.673571|4.623299|3.222334|3.634337|8.834608|17.547471|8.799767|6.854542|3.771612|2.956268|0.061419|0.059361|0.059687|0.081407|0.075293|0.113102|0.103375|0.115194|0.075637|0.066898|0.061078|0.071196|0.071944|0.105208|0.082548|0.109653|0.174347|0.215042|0.301849|0.500000| |2.118984|3.375608|2.509873|2.959210|5.042010|4.387340|6.914285|6.346060|7.123388|26.393333|5.920284|5.692088|3.506747|3.255784|2.900419|2.761770|2.401602|17.274288|2.249394|3.168376|2.622443|3.608164|2.375843|2.856319|3.224435|2.917122|3.277093|6.948296|8.851087|17.526213|8.775388|3.610235|2.860007|0.057483|0.057254|0.054236|0.068604|0.062212|0.079976|0.079747|0.161742|0.089216|0.074061|0.056567|0.057614|0.055272|0.070828|0.059046|0.089936|0.202017|0.140103|0.216567|0.173717|0.500000| |2.168012|3.510320|2.629357|3.218329|5.339394|4.490370|7.207617|5.591265|5.794145|22.396267|4.977340|5.183174|2.909037|2.637907|2.390537|2.346010|2.083933|14.946073|2.006916|2.882060|2.373398|3.381945|2.296055|2.759571|3.225906|2.535368|2.834622|5.668605|8.652119|17.569801|8.714808|3.739093|2.884131|0.057628|0.058403|0.056200|0.069783|0.065943|0.086953|0.090348|0.120413|0.071591|0.061146|0.051016|0.054735|0.054259|0.071406|0.059720|0.081098|0.140871|0.124636|0.196996|0.213834|0.302668|0.500000| |2.964660|5.157621|3.818423|5.038803|9.774655|7.613519|10.098646|8.692426|8.094117|28.783249|6.160738|6.977472|3.331259|2.853739|2.478436|2.413727|2.089383|14.745464|2.006620|2.923533|2.475963|3.620722|2.422257|2.839674|3.469131|2.686611|3.192837|6.003954|6.521876|8.831534|17.601812|6.897235|4.445765|0.077178|0.078828|0.074914|0.097941|0.091033|0.125957|0.140841|0.151433|0.077698|0.062207|0.050459|0.055611|0.055283|0.079655|0.064130|0.095086|0.137338|0.134948|0.134229|0.182738|0.175726|0.223846|0.500000| |2.786275|4.635381|3.279387|3.888559|7.373516|5.800727|7.857509|8.617389|10.526723|33.203655|7.521007|7.222107|3.708118|3.279132|2.760053|2.575814|2.196345|15.746898|2.052484|2.917452|2.458109|3.454655|2.262782|2.685800|3.127979|2.774062|3.313449|5.898388|5.719675|8.679593|17.580143|6.056386|4.266043|0.074337|0.075944|0.069051|0.087664|0.078053|0.097735|0.104225|0.233186|0.092604|0.069789|0.051445|0.053563|0.051763|0.070494|0.057774|0.093774|0.154785|0.126114|0.126180|0.138211|0.220874|0.192937|0.304842|0.500000| |4.212100|7.703865|5.012449|5.677898|12.397148|7.133632|8.755125|7.340741|10.929646|40.294401|8.986222|10.018441|3.845358|3.225196|2.658302|2.497496|2.113364|14.994026|1.989537|2.866045|2.448165|3.520102|2.302874|2.702740|3.231960|2.757508|3.429793|4.599977|4.005714|4.598188|7.297323|17.745169|8.941165|0.110630|0.113059|0.097924|0.131374|0.109685|0.127672|0.142867|0.188551|0.090892|0.066457|0.049738|0.053309|0.051850|0.074434|0.060208|0.101290|0.116291|0.112237|0.091494|0.107362|0.115380|0.112734|0.206577|0.225580|0.500000| |4.721300|9.509641|5.812292|7.001031|12.486786|6.011233|8.101047|5.196219|6.544710|27.458455|6.205326|7.359433|2.947170|2.527757|2.177720|2.102829|1.830563|13.066424|1.760370|2.557849|2.151809|3.157770|2.135015|2.526352|3.082030|2.328331|2.785542|3.717953|3.543756|4.011102|5.728375|17.519537|8.899401|0.113385|0.126882|0.112961|0.133633|0.130080|0.143277|0.207029|0.118803|0.070226|0.055130|0.044569|0.049285|0.049217|0.071053|0.058416|0.083990|0.091627|0.094233|0.082047|0.101302|0.097275|0.106631|0.199369|0.160506|0.301360|0.500000| |7.299947|12.512904|5.739855|5.001362|7.684055|4.232822|6.131570|3.868882|5.776815|28.253208|7.008055|7.772027|2.912330|2.544960|2.164506|2.046893|1.777721|12.854549|1.689822|2.422058|2.023689|2.907940|1.951281|2.338112|2.755174|2.225122|2.662526|2.947865|2.667732|2.903862|3.789760|8.942897|17.550163|0.175084|0.222536|0.147386|0.144022|0.128187|0.109778|0.131363|0.107291|0.072543|0.055276|0.042861|0.046047|0.045205|0.062664|0.052734|0.078544|0.076827|0.077208|0.064587|0.073837|0.075381|0.075703|0.111915|0.112933|0.214661|0.219750|0.500000| 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