Version2.0 2020-01-31T17:15:16Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 21-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)[C@@H]2c3ccsc3CCN2C(=O)CN(CCCOC)C(=O)c4ccc(cc4)[N+](=O)[O-] C16501884 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)[C@@H]2c3ccsc3CCN2C(=O)CN(CCCOC)C(=O)c4ccc(cc4)[N+](=O)[O-] C01[X(C27H29N3O5S1)] 189 C1 602 COCCCN(C(=O)c1ccc(cc1)[N+](=O)[O-])CC(=O)N1CCc2c([C@H]1c1ccc(cc1)C)ccs2 COCCCN(C(=O)c1ccc(cc1)[N+](=O)[O-])CC(=O)N1CCc2c([C@H]1c1ccc(cc1)C)ccs2 COCCCN(CC(=O)N1CCc2sccc2[C@H]1c3ccc(C)cc3)C(=O)c4ccc(cc4)[N+]([O-])=O InChIKey=BJLNRFYDEGKYEE-AREMUKBSSA-N InChI=1S/C27H29N3O5S/c1-19-4-6-20(7-5-19)26-23-13-17-36-24(23)12-15-29(26)25(31)18-28(14-3-16-35-2)27(32)21-8-10-22(11-9-21)30(33)34/h4-11,13,17,26H,3,12,14-16,18H2,1-2H3/t26-/m1/s1 InChI=1/C27H29N3O5S/c1-19-4-6-20(7-5-19)26-23-13-17-36-24(23)12-15-29(26)25(31)18-28(14-3-16-35-2)27(32)21-8-10-22(11-9-21)30(33)34/h4-11,13,17,26H,3,12,14-16,18H2,1-2H3/t26-/m1/s1 Cc1ccc(cc1)[C@@H]2c3ccsc3CCN2C(=O)CN(CCCOC)C(=O)c4ccc(cc4)[N+](=O)[O-] C01[X(C27H29N3O5S1)] 189 C01 602 COCCCN(C(=O)c1ccc(cc1)[N+](=O)[O-])CC(=O)N1CCc2c([C@H]1c1ccc(cc1)C)ccs2 COCCCN(C(=O)c1ccc(cc1)N(O)O)CC(=O)N1CCc2c([C@H]1c1ccc(cc1)C)ccs2 COCCCN(CC(=O)N1CCc2sccc2[C@H]1c3ccc(C)cc3)C(=O)c4ccc(cc4)N(O)O InChIKey=ZWPZAEOHCUNEPA-AREMUKBSSA-N InChI=1S/C27H31N3O5S/c1-19-4-6-20(7-5-19)26-23-13-17-36-24(23)12-15-29(26)25(31)18-28(14-3-16-35-2)27(32)21-8-10-22(11-9-21)30(33)34/h4-11,13,17,26,33-34H,3,12,14-16,18H2,1-2H3/t26-/m1/s1 InChI=1/C27H31N3O5S/c1-19-4-6-20(7-5-19)26-23-13-17-36-24(23)12-15-29(26)25(31)18-28(14-3-16-35-2)27(32)21-8-10-22(11-9-21)30(33)34/h4-11,13,17,26,33-34H,3,12,14-16,18H2,1-2H3/t26-/m1/s1 3969.0332389274 -1974.3829444 1-A 23189.5622 134 468 602 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1608.66 1611.55 1628.78 1639.98 1661.27 1684.05 1684.49 1688.41 1721.42 1722.98 1740.83 1766.26 1788.71 1800.58 1843.63 1857.59 1864.76 1866.14 1870.74 1881.32 1885.92 1896.74 1902.99 1911.17 1922.33 1928.12 1949.56 1958.89 2008.91 2017.72 2037.99 2058.75 2062.13 2079.26 2094.70 2110.20 2121.54 2140.30 2161.82 2184.94 2224.53 2238.30 2245.62 2248.01 2254.87 2273.43 2275.43 2291.50 2312.03 2347.88 2349.41 2351.45 2357.14 2361.53 2363.61 2367.35 2373.87 2381.89 2385.63 2388.01 2394.63 2417.68 2425.21 2435.66 2544.70 2555.95 2597.30 2606.94 2625.40 2687.19 2765.84 2794.39 4536.28 4571.61 4584.01 4599.61 4607.61 4622.85 4626.55 4636.78 4663.70 4664.53 4681.10 4681.26 4686.50 4720.59 4724.20 4753.91 4765.73 4782.76 4785.04 4814.90 4827.70 4856.51 4860.69 4890.97 4896.43 4898.11 4948.51 4950.44 4955.71 0.566197 0.598386 0.599330 0.494695 -1973.816748 -1973.784559 -1973.783615 -1973.888249 3.509442D-04 MUNgauss RevisionA2.0 retrievium 31-Jan-2020 DUDE Cc1ccc(cc1)[C@@H]2c3ccsc3CCN2C(=O)CN(CCCOC)C(=O)c4ccc(cc4)[N+](=O)[O-] C16501884 RHF 6-31G(d) (6D,10F) C1 507.182793 |X|Y|Z| 93.469386 111.589874 44.729221 77.558340 25 6 7 16 22 2 1 |36.858105| |12.608127|36.858105| |7.534737|13.758589|36.858105| |5.002246|7.888982|13.715985|36.858105| |4.405319|6.771094|7.901981|13.781073|36.858105| |5.015424|7.886925|6.916969|8.001627|13.686197|36.858105| |7.549622|13.665287|8.004231|6.919335|7.903131|13.806983|36.858105| |3.255462|4.388492|4.995281|7.529619|12.466887|7.490727|4.993317|36.858105| |3.040596|3.985733|4.818593|7.423738|8.971293|5.599504|4.201749|17.580824|0.500000| |2.934411|3.784071|4.079385|5.416268|7.659033|6.167961|4.377385|12.600787|0.249497|36.858105| |2.870243|3.603653|3.944514|4.993726|5.991757|4.994118|3.945314|7.314326|0.187042|13.209262|36.858105| |2.526015|3.035961|3.181055|3.750654|4.382705|4.042587|3.353093|5.084480|0.129964|8.229535|14.202291|36.858105| |2.317407|2.753145|2.785608|3.236623|3.951981|3.878486|3.164742|4.733377|0.114849|7.451174|7.451696|11.009114|388.023441| |2.602540|3.224876|3.303695|4.056571|5.460637|5.163724|3.828249|7.566967|0.162668|14.197309|8.224511|7.713061|78.199553|36.858105| |2.451407|2.989881|2.999808|3.594919|4.797228|4.789045|3.600413|6.374769|0.138916|7.649691|5.088925|4.821585|47.182846|12.736929|36.858105| |2.447402|3.009582|3.124234|3.866144|5.102263|4.670814|3.511498|7.469481|0.168535|6.847669|4.555202|4.002961|33.411579|7.803804|12.504329|36.858105| |2.901129|3.738066|4.014964|5.337912|7.664348|6.193069|4.353231|12.876644|0.253420|7.715869|4.966651|3.998808|29.837549|6.758904|7.671472|12.997220|53.358707| |2.846623|3.595038|3.946583|5.103135|6.299358|5.134262|3.970426|7.951904|0.206236|5.149027|3.845605|3.172950|22.988299|4.557907|5.095759|7.768066|18.955999|36.858105| |3.035226|3.858006|4.499222|5.980160|6.473470|4.922711|4.002627|7.203065|0.215437|4.621565|3.696892|2.998635|20.697000|3.889546|4.025689|5.397439|11.522755|15.892576|73.516695| |2.459609|2.953048|3.104260|3.684260|4.308673|3.943263|3.261412|4.989061|0.130733|3.852297|3.026072|2.638698|19.853544|3.726212|4.477584|6.615455|10.433617|12.407017|14.268077|36.858105| |2.391705|2.794837|2.949565|3.363747|3.664867|3.387901|2.971648|3.921749|0.107247|3.097730|2.564608|2.253309|16.548167|2.948102|3.360550|4.423495|6.983981|7.698264|12.488666|13.237714|53.358707| |2.633657|3.032577|3.113972|3.390843|3.620745|3.503432|3.207062|3.570627|0.095451|2.850044|2.402554|2.119127|15.443147|2.703475|3.030475|3.721466|5.978906|5.981685|10.492464|7.709710|17.742968|36.858105| |2.387083|2.664755|2.636566|2.791842|3.020257|3.069576|2.871822|2.978164|0.078185|2.504454|2.133723|1.929159|14.351395|2.457682|2.810993|3.308089|4.935514|4.422987|7.346295|5.810682|10.394778|12.466105|36.858105| |2.498989|2.698201|2.599210|2.641047|2.792155|2.921867|2.870082|2.639598|0.069179|2.259203|1.967483|1.789855|13.182792|2.207390|2.461983|2.767582|4.151298|3.542700|6.126339|4.136232|6.762002|7.544252|12.535919|36.858105| |2.213510|2.347921|2.236597|2.263278|2.409232|2.554442|2.519634|2.307767|0.060305|2.035967|1.788389|1.654223|12.334333|2.028283|2.277527|2.498211|3.605378|2.957506|5.019125|3.457327|5.336488|5.107249|8.054269|13.655437|73.516695| |2.176255|2.242409|2.109217|2.086778|2.186769|2.339690|2.374015|2.061687|0.054065|1.843698|1.646931|1.532499|11.339460|1.831423|2.018131|2.164202|3.126999|2.512626|4.343103|2.808479|4.240737|3.918417|5.217062|8.139052|24.329083|36.858105| |2.091882|2.388372|2.544865|2.863276|3.016527|2.768920|2.482008|3.257241|0.092288|2.672720|2.279868|2.028345|14.797878|2.553567|2.852035|3.645988|5.456811|5.458983|9.548761|7.678622|19.120213|7.899137|5.885351|4.169558|6.147781|2.815732|36.858105| |1.984814|2.216298|2.342077|2.560011|2.637629|2.464211|2.271440|2.758426|0.078062|2.312482|2.016391|1.811105|13.139039|2.214350|2.439046|2.984260|4.428055|4.180807|7.577875|5.342651|11.571769|7.070575|5.827530|4.337997|6.418691|2.957078|15.854431|73.516695| |1.907617|2.180291|2.351230|2.690099|2.838378|2.554439|2.262371|3.210400|0.093537|2.696082|2.314322|2.070035|15.117233|2.588104|2.869315|3.717388|5.312793|5.037567|8.668037|6.476355|10.485342|5.007633|4.115727|3.159124|4.903240|2.321690|12.617920|14.495124|36.858105| |1.966541|2.276214|2.516278|2.958233|3.089728|2.677424|2.339937|3.622540|0.110726|3.004271|2.587252|2.278664|16.322897|2.810887|3.021882|3.971575|5.817291|5.473919|9.858527|5.948122|8.340687|4.276700|3.437033|2.764617|4.290177|2.079066|7.519411|9.854230|13.711725|36.858105| |1.767213|2.023113|2.230619|2.600419|2.702309|2.357182|2.073891|3.196106|0.098509|2.789296|2.465385|2.209888|15.813240|2.642398|2.792364|3.535337|4.913808|4.195307|7.446674|4.372759|5.835916|3.271547|2.781673|2.313601|3.686919|1.817744|5.014944|7.356152|7.927475|13.765354|36.858105| |1.587124|1.790130|1.938003|2.209745|2.307650|2.070448|1.844071|2.674428|0.079884|2.408057|2.149244|1.971794|14.353065|2.344673|2.514791|3.087993|4.124341|3.417224|5.911055|3.748695|5.085451|2.930009|2.607407|2.177614|3.544473|1.750128|4.480487|6.914249|6.941065|8.006761|13.788026|36.858105| |1.552300|1.738117|1.854987|2.085389|2.190520|2.006168|1.800675|2.486935|0.072426|2.234339|1.980700|1.828462|13.485025|2.204721|2.417101|2.951660|3.916006|3.286089|5.596093|3.845364|5.434881|3.119866|2.855811|2.346758|3.854523|1.882298|5.057633|8.008196|7.924195|6.842662|7.869680|13.771249|36.858105| |1.682663|1.891293|2.010851|2.258036|2.382332|2.192119|1.966450|2.672272|0.076913|2.339432|2.042020|1.866272|13.786481|2.297780|2.557619|3.186308|4.326213|3.800693|6.434118|4.779849|7.272653|3.951606|3.574718|2.819347|4.555319|2.175370|7.665120|11.628567|13.708630|7.912830|6.852687|8.016005|13.789624|36.858105| |1.445330|1.616158|1.744954|1.972667|2.048385|1.849104|1.659314|2.362042|0.070546|2.194838|2.004444|1.868706|13.566552|2.152877|2.269612|2.684518|3.530879|2.806329|4.874595|2.973670|3.968793|2.396754|2.178325|1.867992|3.084247|1.546235|3.335641|5.354372|4.531441|5.132147|7.785459|13.052790|7.780143|5.135195|53.358707| |1.451861|1.626595|1.770594|2.011908|2.074374|1.853450|1.661229|2.408188|0.073052|2.260813|2.095202|1.952604|13.979021|2.196010|2.263896|2.648902|3.508476|2.740530|4.818906|2.790544|3.669807|2.247297|2.024804|1.757582|2.893058|1.461591|2.994517|4.800744|3.908837|4.683722|7.094663|8.377057|5.423375|4.097396|21.723585|73.516695| |1.339594|1.484593|1.586497|1.771215|1.841622|1.687983|1.527276|2.093439|0.061556|1.967307|1.805484|1.703174|12.472081|1.953638|2.073264|2.404766|3.130535|2.466097|4.255989|2.655334|3.576337|2.202444|2.049138|1.770057|2.961444|1.490161|3.002340|4.946654|3.908573|4.095328|5.426549|8.378208|7.091908|4.685453|21.728973|16.017125|73.516695| |17.541621|8.837957|5.875044|4.291243|3.951907|4.594311|6.703321|3.016812|0.077811|2.832377|2.830328|2.546673|16.581840|2.550053|2.377524|2.317158|3.647933|2.572693|4.778749|2.245436|2.939125|2.343681|2.163138|2.255900|3.624835|2.015386|1.903656|3.210326|1.756231|1.810963|1.646340|1.488805|1.455002|1.565188|1.860291|2.446128|2.260371|0.500000| |17.542112|8.836822|5.868060|4.289959|3.950966|4.594996|6.714620|3.009339|0.077733|2.694436|2.578529|2.297541|15.385663|2.442235|2.362675|2.374410|3.796571|2.785242|5.233722|2.469355|3.316506|2.753156|2.536730|2.731140|4.296613|2.410035|2.123306|3.615413|1.908114|1.937345|1.730702|1.564955|1.545983|1.688287|1.932376|2.517585|2.349507|0.302292|0.500000| |17.579774|8.837107|7.227942|4.736430|3.943864|4.168312|5.566193|3.008533|0.080429|2.704720|2.690523|2.365474|15.233500|2.382634|2.235067|2.259593|3.636181|2.665549|5.158040|2.308651|3.100944|2.494009|2.241992|2.343320|3.685171|2.045121|2.024611|3.440962|1.855524|1.923662|1.736283|1.557099|1.517214|1.638248|1.936326|2.549157|2.342199|0.301805|0.301845|0.500000| |6.970223|8.927292|17.703556|8.936576|5.641987|4.973861|5.667227|4.087166|0.114902|3.441716|3.432618|2.831755|17.537139|2.841021|2.594079|2.716021|4.611281|3.420946|7.051832|2.772233|3.681189|2.855818|2.427742|2.416202|3.711957|1.989719|2.393575|3.975814|2.223206|2.385279|2.133574|1.858498|1.774769|1.913366|2.291810|3.048351|2.725176|0.151792|0.151685|0.221434|0.500000| |4.087817|5.635552|8.931239|17.717117|8.939757|5.669732|4.976459|6.996604|0.229481|5.073305|4.840972|3.619310|21.842217|3.785193|3.346778|3.702213|6.836096|5.009878|11.105181|3.608124|4.549638|3.267826|2.657145|2.481691|3.787635|1.960290|2.924282|4.636965|2.809068|3.184460|2.817171|2.350119|2.180775|2.340388|2.858329|3.848212|3.318205|0.099411|0.099543|0.112996|0.216806|0.500000| |4.099293|5.632287|4.974788|5.670621|8.898200|17.715397|8.967379|6.948231|0.140324|6.374313|4.872369|4.155230|30.727283|5.987808|5.891659|5.313049|8.844100|5.037250|7.964153|4.058456|4.585111|3.434516|3.113814|2.927276|4.642416|2.371883|2.741354|4.313794|2.543541|2.631649|2.331416|2.072931|2.023040|2.208547|2.523797|3.286420|3.024944|0.108476|0.108442|0.096027|0.107877|0.124346|0.500000| |7.010838|8.898594|5.670851|4.973931|5.636196|8.959784|17.689893|4.080614|0.096489|3.769752|3.433458|3.057072|21.198944|3.488713|3.370972|3.200483|5.116359|3.443029|6.023521|2.974368|3.717029|2.982163|2.777166|2.839169|4.530612|2.437661|2.298926|3.780914|2.090731|2.129943|1.901461|1.715292|1.690372|1.844340|2.111407|2.748715|2.559428|0.190359|0.190874|0.140472|0.124285|0.107886|0.217376|0.500000| |3.017648|3.791959|4.357849|5.561127|5.956581|4.733847|3.923665|6.568341|0.186747|8.559880|17.744834|8.928578|37.678688|5.727150|4.067376|3.875905|6.015880|3.641476|6.534262|2.850857|3.378152|2.345539|2.062062|1.917977|3.081041|1.605748|2.226909|3.529836|2.254650|2.541149|2.422231|2.096661|1.922990|1.981249|2.667005|3.664215|3.129243|0.082218|0.073947|0.080101|0.107356|0.156403|0.120714|0.093150|0.500000| |2.366013|2.765606|2.888505|3.288615|3.652661|3.424033|2.977980|4.028677|0.106764|5.681700|8.785272|17.790146|55.262540|5.420506|3.828615|3.275133|4.459944|2.711188|4.635146|2.303091|2.732859|1.902464|1.744384|1.633916|2.700555|1.418947|1.830720|2.937722|1.870944|2.052331|2.011092|1.811011|1.679995|1.703445|2.363742|3.240384|2.830237|0.067070|0.059643|0.062207|0.073058|0.089225|0.096316|0.076519|0.204075|0.500000| |2.600300|3.163780|3.058575|3.555217|4.789409|5.271665|3.965692|5.642096|0.121587|6.280470|4.471611|4.268634|40.226654|8.892973|17.534710|8.830737|9.192865|4.785151|6.797146|4.343432|4.527097|3.115478|2.959421|2.629149|4.353200|2.171936|2.775769|4.275014|2.704492|2.773865|2.527418|2.300866|2.253712|2.419568|2.818981|3.641360|3.398502|0.070338|0.070393|0.064779|0.072748|0.089226|0.197484|0.106142|0.102416|0.096889|0.500000| |2.158400|2.560092|2.565339|2.998194|3.778220|3.778168|3.007964|4.793652|0.112912|5.721055|4.305803|4.355519|45.268276|8.877619|17.561988|8.926074|7.628377|4.179653|6.039043|3.927118|4.124858|2.717271|2.579300|2.262715|3.790089|1.895644|2.648892|4.064035|2.717223|2.837422|2.691191|2.481855|2.393186|2.489904|3.097246|4.026911|3.732537|0.058600|0.058108|0.055161|0.062904|0.079059|0.124615|0.079821|0.097548|0.099574|0.302749|0.500000| |2.319782|2.793882|2.847644|3.397429|4.308474|4.148151|3.253735|5.552258|0.131686|4.997229|3.641571|3.298799|27.518122|5.647569|8.943314|17.663966|12.444071|7.286392|8.900503|7.842367|6.740331|4.087530|3.755789|3.041141|4.921506|2.349505|4.003214|5.765784|4.003492|4.033609|3.525315|3.168953|3.139514|3.473909|3.691308|4.641772|4.375839|0.060877|0.063628|0.059467|0.069494|0.090090|0.131856|0.084346|0.088808|0.077450|0.219217|0.213182|0.500000| |2.222586|2.689672|2.850955|3.524777|4.382942|3.870693|3.029391|6.482561|0.165217|6.283742|4.463597|3.974804|32.619604|6.941406|8.917671|17.516606|12.308003|6.607337|8.843757|5.794301|5.567231|3.348873|2.967818|2.489973|4.021925|1.974022|3.565370|5.178525|3.863412|4.311528|4.008939|3.465075|3.206199|3.349339|4.130885|5.386277|4.758329|0.058649|0.059588|0.057884|0.070349|0.097575|0.116809|0.076736|0.106469|0.091293|0.174338|0.221647|0.302552|0.500000| |2.490842|2.972647|3.011497|3.481739|4.185823|4.100581|3.392954|4.663704|0.115925|3.766405|2.944454|2.615057|20.211711|3.795152|4.805630|6.711425|9.683720|8.870749|10.859107|17.572592|12.585121|7.315386|6.447984|4.530150|6.865290|3.072801|5.927844|8.155863|4.970724|4.491760|3.565562|3.198488|3.339460|4.052874|3.575459|4.388447|4.264861|0.063619|0.070270|0.063963|0.073944|0.091636|0.122551|0.088009|0.075963|0.063349|0.137121|0.116818|0.247616|0.150952|0.500000| |2.189630|2.590988|2.734177|3.237553|3.741955|3.406906|2.839068|4.534518|0.122236|3.705054|2.938312|2.605477|19.897461|3.682510|4.489838|6.841932|9.130323|8.843556|11.201775|17.641747|12.489553|5.663596|4.733083|3.491342|5.424699|2.515412|7.312245|8.992193|7.560290|6.913117|5.160957|4.468975|4.593343|5.680089|4.692233|5.653396|5.421911|0.056260|0.060653|0.057515|0.068760|0.089943|0.098543|0.072632|0.076285|0.063348|0.115896|0.114216|0.234085|0.183945|0.304930|0.500000| |2.574327|2.904375|3.029961|3.233252|3.297426|3.143066|2.960734|3.203361|0.088072|2.582628|2.231867|1.969669|14.118720|2.420339|2.638949|3.172403|5.080580|4.945108|9.461816|5.750599|12.562884|17.652605|8.839915|6.887369|8.357163|3.787413|7.567640|14.058330|4.809512|4.145007|3.191414|2.858979|3.037504|3.825387|3.196252|3.922378|3.839876|0.063224|0.074894|0.069022|0.079225|0.088289|0.083748|0.076297|0.061456|0.049609|0.074603|0.066366|0.094073|0.081477|0.145791|0.128253|0.500000| |3.081358|3.653674|3.720089|4.057602|4.394427|4.303143|3.916111|4.125606|0.107497|3.190253|2.658143|2.311373|16.711725|2.974145|3.298694|4.010471|6.851587|6.851592|12.226575|7.475302|12.576752|17.585436|8.795782|6.856376|8.385089|3.785089|5.879662|9.199069|4.257845|3.918596|3.064058|2.701684|2.792931|3.393109|3.063864|3.817135|3.660476|0.074957|0.089727|0.079821|0.092334|0.105161|0.114812|0.099334|0.072165|0.057231|0.095648|0.080066|0.119011|0.097295|0.205758|0.147055|0.303855|0.500000| |2.366506|2.665118|2.600393|2.779631|3.105661|3.226346|2.960405|3.108928|0.079783|2.650750|2.225642|2.027242|15.390274|2.660208|3.139894|3.679903|5.306616|4.569908|7.154839|6.217988|9.395984|8.800321|17.530408|8.957363|13.234077|4.897529|5.187931|8.554520|3.909826|3.316750|2.728900|2.573443|2.809500|3.457192|2.947359|3.582040|3.631011|0.060257|0.069548|0.060966|0.065613|0.072661|0.093887|0.080453|0.058896|0.050620|0.093574|0.080151|0.120497|0.089598|0.219278|0.141464|0.173148|0.210012|0.500000| |2.113678|2.331069|2.331849|2.472190|2.641684|2.644721|2.478878|2.658468|0.071000|2.274445|1.960246|1.787215|13.308234|2.244864|2.558253|3.006821|4.356904|3.864642|6.481100|5.139486|9.467507|8.868743|17.590179|8.926869|12.939388|4.861525|6.295147|12.144474|4.350637|3.468843|2.829702|2.718549|3.070540|3.936918|3.074202|3.679649|3.816323|0.053662|0.061940|0.055779|0.060488|0.066507|0.074555|0.066684|0.052723|0.045172|0.073644|0.066472|0.094955|0.076970|0.150712|0.125020|0.212271|0.173381|0.302500|0.500000| |2.431933|2.586264|2.528212|2.541835|2.612747|2.681075|2.668950|2.460394|0.065675|2.104637|1.858784|1.687791|12.268068|2.032948|2.225159|2.501560|3.781101|3.253739|5.836291|3.697309|6.256902|6.832443|8.839242|17.480598|16.551394|7.331723|4.088842|7.980397|3.089381|2.709994|2.272228|2.138884|2.303278|2.762226|2.501666|3.076991|3.097973|0.060633|0.073849|0.064457|0.066516|0.067241|0.073197|0.072681|0.050870|0.043066|0.065065|0.057017|0.075015|0.063612|0.107002|0.088219|0.204410|0.168132|0.174268|0.214407|0.500000| |2.878629|3.110741|2.922304|2.917851|3.095649|3.331365|3.343696|2.830229|0.073113|2.408399|2.094114|1.895361|13.894734|2.337383|2.585885|2.863699|4.388898|3.680269|6.397406|4.071011|6.289143|6.919564|8.817166|17.459716|16.564787|7.270088|3.753696|6.682520|2.930585|2.650049|2.228464|2.071371|2.189708|2.583862|2.437157|3.027606|3.000244|0.071433|0.089108|0.073796|0.074522|0.074529|0.092035|0.092707|0.056762|0.047943|0.077846|0.065094|0.086089|0.070488|0.125421|0.093822|0.171971|0.206572|0.211336|0.173767|0.301398|0.500000| |2.113824|2.157558|2.052052|2.018649|2.079204|2.191750|2.236960|1.957310|0.051932|1.745001|1.571672|1.458841|10.686619|1.717741|1.870398|2.016149|2.935461|2.380887|4.194117|2.634802|4.064767|3.754670|4.747778|7.216685|16.464349|17.505611|2.765763|5.292844|2.277228|2.040736|1.786439|1.720825|1.850674|2.136868|2.071776|2.558758|2.609620|0.054124|0.064976|0.055923|0.054449|0.053142|0.060866|0.063171|0.042884|0.037669|0.055278|0.048834|0.060204|0.051617|0.078024|0.065878|0.105654|0.099438|0.117649|0.127471|0.218264|0.174923|0.500000| |2.395857|2.440470|2.249849|2.193134|2.298860|2.507705|2.596169|2.126449|0.055323|1.904713|1.705172|1.585492|11.697296|1.887218|2.065647|2.186544|3.188088|2.528278|4.382065|2.751496|4.060125|3.759144|4.724069|7.217007|16.459925|17.498157|2.645793|4.841151|2.204180|2.009350|1.760374|1.680313|1.784472|2.043853|2.029358|2.524172|2.543505|0.061588|0.074996|0.061899|0.058682|0.056531|0.070469|0.075214|0.046218|0.040779|0.062377|0.053507|0.065299|0.054957|0.084063|0.067878|0.100100|0.105749|0.126647|0.116520|0.177204|0.216188|0.299592|0.500000| |1.973893|2.026874|1.907086|1.893728|1.993104|2.133843|2.155085|1.899993|0.049832|1.724488|1.547179|1.453115|10.826910|1.730447|1.912378|2.029121|2.877165|2.277925|3.903479|2.551965|3.778620|3.334907|4.361363|5.863970|16.898460|17.617301|2.550793|4.745287|2.151053|1.927396|1.706607|1.660531|1.792500|2.051627|2.012582|2.481002|2.551558|0.051414|0.060224|0.051577|0.050056|0.049586|0.060685|0.061852|0.041758|0.037503|0.057177|0.050453|0.061372|0.051690|0.077787|0.064723|0.088965|0.089129|0.119010|0.117665|0.148042|0.147509|0.299804|0.299763|0.500000| |2.183177|2.570149|2.907330|3.508405|3.616344|3.025832|2.618567|4.264987|0.135299|3.367957|2.879241|2.472520|17.354904|3.042496|3.199145|4.247815|6.722633|6.723187|13.387581|6.368628|8.759931|4.587384|3.504577|2.855685|4.346527|2.117312|6.938043|9.201308|8.904557|17.745792|8.935763|5.678052|4.938585|5.636032|5.666228|7.166158|6.047629|0.055337|0.059311|0.059441|0.076293|0.107250|0.080974|0.065073|0.079480|0.061433|0.081507|0.081267|0.115480|0.125660|0.129894|0.185921|0.124074|0.121546|0.093311|0.094936|0.077877|0.077556|0.057751|0.057488|0.054026|0.500000| |1.766790|2.026703|2.260764|2.656684|2.729190|2.345525|2.061923|3.262449|0.103484|2.885896|2.599380|2.320967|16.303104|2.692829|2.760917|3.428001|4.801275|3.949692|7.165782|3.847187|5.012916|2.926649|2.492683|2.119885|3.386035|1.689799|4.076635|6.153418|5.634505|8.885483|17.788604|8.939933|5.629353|4.947341|9.793568|14.209290|8.840209|0.045862|0.047625|0.048446|0.060393|0.081400|0.063973|0.052236|0.071625|0.058902|0.068676|0.073837|0.091719|0.109859|0.088905|0.121880|0.079663|0.078186|0.068190|0.069430|0.057931|0.057475|0.046169|0.045833|0.044113|0.214055|0.500000| |1.432992|1.589490|1.682576|1.870139|1.961898|1.819532|1.647220|2.203294|0.063593|2.015788|1.805636|1.687225|12.505560|2.009745|2.201114|2.616634|3.427022|2.806595|4.772568|3.254164|4.579761|2.741078|2.588490|2.165376|3.622729|1.783777|4.116813|6.844172|5.632375|4.942055|5.629548|8.932768|17.789889|8.888787|9.784712|8.833997|14.196165|0.037504|0.039732|0.038922|0.044854|0.054001|0.051187|0.043293|0.048646|0.043361|0.057391|0.061279|0.077507|0.078442|0.081257|0.105619|0.074359|0.068527|0.071134|0.077966|0.059114|0.055986|0.048771|0.046818|0.047641|0.107379|0.124308|0.500000| 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