Version2.2 2021-02-05T00:19:30Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 28-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)[C@@H](c2cccs2)NC(=O)C[NH+]3CCC[C@@H]3c4ccc5c(c4)OCCCO5 C09580424 RHF 6-31G(d) (6D,7F) c1ccc(cc1)[C@@H](c2cccs2)NC(=O)C[NH+]3CCC[C@@H]3c4ccc5c(c4)OCCCO5 C01[X(C26H29N2O3S1)] 177 C1 542 O=C(C[NH+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)N[C@H](c1cccs1)c1ccccc1 O=C(C[NH+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)N[C@H](c1cccs1)c1ccccc1 O=C(C[NH+]1CCC[C@@H]1c2ccc3OCCCOc3c2)N[C@H](c4sccc4)c5ccccc5 InChIKey=UQGVRUUVPVDYBT-RLWLMLJZSA-O InChI=1S/C26H28N2O3S/c29-25(27-26(24-10-5-16-32-24)19-7-2-1-3-8-19)18-28-13-4-9-21(28)20-11-12-22-23(17-20)31-15-6-14-30-22/h1-3,5,7-8,10-12,16-17,21,26H,4,6,9,13-15,18H2,(H,27,29)/p+1/t21-,26+/m1/s1 InChI=1/C26H28N2O3S/c29-25(27-26(24-10-5-16-32-24)19-7-2-1-3-8-19)18-28-13-4-9-21(28)20-11-12-22-23(17-20)31-15-6-14-30-22/h1-3,5,7-8,10-12,16-17,21,26H,4,6,9,13-15,18H2,(H,27,29)/p+1/t21-,26+/m1/s1/fC26H29N2O3S/h27-28H/q+1 c1ccc(cc1)[C@@H](c2cccs2)NC(=O)C[NH+]3CCC[C@@H]3c4ccc5c(c4)OCCCO5 C01[X(C26H29N2O3S1)] 177 C01 542 O=C(C[NH+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)N[C@H](c1cccs1)c1ccccc1 O=[C]([NH][C@@H]([C]1[CH][CH][CH][CH][CH]1)C1=[CH][CH]=CS1)C[NH]1CCC[C@@H]1[C]1[CH][CH][C]2[C]([CH]1)OCCCO2 O=C(C[NH]1CCC[C@@H]1[C]2[CH][CH][C]3OCCCO[C]3[CH]2)N[C@@H]([C]4[CH][CH][CH][CH][CH]4)c5sccc5 InChIKey=SAJBNILANQVCJE-RLWLMLJZSA-N InChI=1S/C26H29N2O3S/c29-25(27-26(24-10-5-16-32-24)19-7-2-1-3-8-19)18-28-13-4-9-21(28)20-11-12-22-23(17-20)31-15-6-14-30-22/h1-3,5,7-8,10-12,16-17,21,26,28H,4,6,9,13-15,18H2,(H,27,29)/t21-,26+/m1/s1 InChI=1/C26H29N2O3S/c29-25(27-26(24-10-5-16-32-24)19-7-2-1-3-8-19)18-28-13-4-9-21(28)20-11-12-22-23(17-20)31-15-6-14-30-22/h1-3,5,7-8,10-12,16-17,21,26,28H,4,6,9,13-15,18H2,(H,27,29)/t21-,26+/m1/s1/f/h27H 3278.8496319891 -1732.2602046 1-A 20670.4305 119 423 542 |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| -92.05129 -20.67397 -20.67196 -20.66558 -15.82467 -15.71540 -11.49170 -11.43455 -11.43284 -11.42040 -11.39784 -11.39657 -11.38952 -11.37094 -11.36941 -11.36679 -11.36612 -11.36398 -11.35112 -11.34832 -11.34770 -11.33908 -11.33621 -11.32709 -11.31483 -11.31363 -11.31308 -11.31209 -11.30985 -11.30912 -11.30905 -11.30794 -9.06145 -6.74413 -6.74321 -6.74153 -1.53982 -1.51828 -1.49022 -1.47431 -1.37333 -1.27568 -1.25787 -1.23837 -1.23248 -1.18698 -1.15781 -1.15300 -1.12967 -1.11632 -1.09641 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1901.88 1931.51 1934.87 1936.14 1961.35 1973.07 1982.20 2006.28 2016.66 2036.28 2054.53 2059.67 2063.36 2071.74 2105.59 2111.14 2128.28 2134.55 2154.44 2170.54 2187.66 2194.18 2203.22 2220.96 2244.89 2252.38 2256.79 2314.07 2319.18 2332.17 2340.36 2346.62 2357.04 2365.69 2374.43 2378.29 2387.87 2403.93 2404.97 2443.91 2474.15 2546.84 2550.10 2569.56 2602.41 2602.61 2782.39 4623.58 4626.22 4636.37 4692.05 4702.17 4707.70 4709.03 4711.36 4725.05 4738.99 4753.02 4770.75 4776.36 4779.16 4799.12 4826.84 4828.66 4832.95 4847.42 4857.86 4862.06 4875.63 4880.20 4888.59 4897.54 4908.38 4961.51 5228.67 5550.46 0.551017 0.577712 0.578656 0.486439 -1731.709188 -1731.682492 -1731.681548 -1731.773766 3.093007D-04 MUNgauss RevisionA2.1 retrievium 05-Feb-2021 DUDE c1ccc(cc1)[C@@H](c2cccs2)NC(=O)C[NH+]3CCC[C@@H]3c4ccc5c(c4)OCCCO5 C09580424 RHF 6-31G(d) (6D,10F) C1 449.189890 |X|Y|Z| 68.585705 122.535519 30.845787 63.762277 31 6 7 8 16 26 2 2 1 |36.858105| |13.745494|36.858105| |7.942247|13.761982|36.858105| |6.840804|7.903129|13.701819|36.858105| |7.928164|6.874383|7.950569|13.713278|36.858105| |13.756173|7.948649|6.890586|7.913938|13.742717|36.858105| |4.422622|5.022409|7.592273|12.502690|7.472625|4.988552|36.858105| |4.007108|4.804831|7.347640|8.947264|5.636084|4.215502|17.638857|0.500000| |3.688264|3.873208|5.061064|7.437139|6.327600|4.360116|12.565150|0.251078|36.858105| |3.375255|3.512450|4.364468|5.733425|5.187971|3.899521|7.446384|0.191082|14.164588|36.858105| |2.823017|2.840828|3.332841|4.173109|4.116026|3.279514|5.024642|0.128673|8.197562|13.254932|36.858105| |2.685598|2.665945|3.103012|3.931883|3.992967|3.168587|4.792679|0.117191|7.665836|8.233241|14.190484|36.858105| |3.056497|3.066025|3.698668|4.982754|4.935648|3.668270|6.673871|0.146633|10.956705|7.473355|7.471147|11.022316|388.023441| |3.853184|4.294076|5.897822|7.844552|5.826041|4.268452|12.956881|0.257851|7.731168|5.094403|4.020800|4.191176|44.886347|53.358707| |3.090921|3.463785|4.498948|5.230800|4.151580|3.298641|7.743255|0.206040|5.910078|4.340364|3.602855|3.782337|37.929563|19.503960|36.858105| |2.787921|3.156625|4.065690|4.536355|3.602463|2.924906|6.704507|0.209330|5.594382|4.424500|3.666686|3.724562|34.351675|11.500474|15.819202|73.516695| |2.718660|2.969123|3.595073|3.985477|3.429421|2.874967|4.977480|0.130654|4.182251|3.288709|2.906576|3.134341|30.191572|10.678255|12.453213|14.395774|36.858105| |2.269624|2.465796|2.916440|3.162567|2.774379|2.378766|3.912725|0.107964|3.541829|2.939638|2.682377|2.889933|26.136108|7.140723|7.859212|13.072850|12.875295|53.358707| |2.268108|2.505513|3.000918|3.202857|2.743756|2.350374|4.037885|0.116782|3.616355|3.048354|2.739504|2.879638|25.390684|7.049032|8.087892|16.374379|9.580579|25.593233|0.500000| |2.086494|2.215849|2.587760|2.879357|2.608458|2.229237|3.577190|0.096765|3.515658|2.965587|2.824412|3.148996|28.093861|6.145104|6.056691|10.609603|7.587003|17.271304|0.259600|36.858105| |1.798952|1.907654|2.180031|2.358842|2.160034|1.894493|2.818168|0.078018|2.782092|2.454436|2.375759|2.596834|21.655641|4.565938|4.226690|7.797502|5.060764|10.786492|0.194501|12.402382|36.858105| |1.775910|1.901435|2.155922|2.272199|2.064733|1.838342|2.648725|0.074198|2.512731|2.219994|2.106442|2.253133|18.783368|4.324362|4.000275|7.270272|5.069174|10.954958|0.200375|7.756421|12.327191|36.858105| |2.016592|2.175403|2.488014|2.616958|2.350882|2.082539|3.047315|0.084416|2.776708|2.384873|2.212368|2.365399|20.483823|5.252346|5.013870|8.480698|7.471734|17.081286|0.254134|7.949460|7.751663|12.428065|36.858105| |2.010231|2.135876|2.411692|2.559645|2.349016|2.092697|2.922850|0.078947|2.686200|2.296485|2.151798|2.331752|20.359750|5.074117|4.587335|7.363943|7.049359|12.494360|0.181379|7.175457|6.706571|8.845177|17.597574|0.500000| |2.035766|2.231868|2.529564|2.564649|2.276986|2.053237|2.897725|0.081934|2.556214|2.221309|2.028424|2.119395|18.059320|4.886336|4.498857|7.691087|6.145223|10.314200|0.197496|5.061086|4.978266|7.317606|12.635206|0.248283|36.858105| |1.992289|2.220222|2.526607|2.506898|2.190128|1.981925|2.838022|0.083042|2.491351|2.204695|1.995877|2.044547|17.044167|4.593184|4.221499|7.761212|5.035441|8.265397|0.187852|4.323589|4.357280|5.995692|7.517594|0.155129|13.689553|36.858105| |1.950495|2.189356|2.443263|2.355114|2.063835|1.904314|2.577268|0.075834|2.244477|2.014174|1.817578|1.839670|15.106877|4.044704|3.512614|6.382774|3.975393|5.882587|0.130175|3.313081|3.315459|4.242288|5.018453|0.116757|7.934236|13.801031|36.858105| |1.947768|2.169076|2.367832|2.264635|2.015065|1.888844|2.407321|0.069444|2.090919|1.872875|1.696296|1.723941|14.185519|3.786971|3.163025|5.506598|3.654018|5.108220|0.106744|2.945462|2.911754|3.653025|4.428879|0.111167|6.818105|7.901222|13.719518|36.858105| |1.986620|2.177868|2.367650|2.304329|2.080005|1.948527|2.440419|0.068706|2.126430|1.881061|1.714498|1.766442|14.739660|3.941062|3.270133|5.473800|4.012824|5.491736|0.108294|3.146747|3.075178|3.897956|5.026899|0.134127|7.871139|6.846253|7.936600|13.668915|36.858105| |2.031809|2.209603|2.445507|2.448444|2.211245|2.033047|2.662092|0.074041|2.335769|2.035654|1.863590|1.947493|16.543447|4.451716|3.829469|6.288184|5.134932|7.314773|0.136012|3.986096|3.864069|5.152820|7.620288|0.206770|13.733049|7.964512|6.924732|7.939030|13.737084|36.858105| |1.942405|2.101745|2.231037|2.161501|1.988283|1.895953|2.230378|0.061989|1.955022|1.738203|1.593117|1.643152|13.629017|3.552438|2.833928|4.678838|3.404528|4.493366|0.087392|2.698445|2.622337|3.180749|3.938216|0.111436|5.254862|4.614163|5.213149|7.908933|14.125771|8.137403|73.516695| |1.716073|1.842468|1.931296|1.868047|1.735932|1.671203|1.917704|0.053517|1.709758|1.543203|1.427456|1.467513|11.951995|2.978811|2.355579|3.967471|2.741855|3.711461|0.073110|2.316222|2.310167|2.776585|3.227142|0.090863|4.083127|3.794909|4.378378|6.272882|7.997495|5.515559|23.873834|36.858105| |1.677314|1.817182|1.890474|1.797980|1.661605|1.611727|1.831254|0.051722|1.628041|1.484591|1.367498|1.390588|11.200879|2.786558|2.188052|3.744572|2.456813|3.318210|0.067031|2.081795|2.074239|2.451564|2.783424|0.076191|3.496799|3.503439|4.301863|6.133231|6.136603|4.304535|13.865045|12.547315|36.858105| |1.670834|1.832694|1.931369|1.829600|1.667900|1.603553|1.888397|0.054150|1.676165|1.534880|1.408305|1.423428|11.418852|2.857704|2.282327|3.990004|2.529090|3.491915|0.072236|2.169717|2.184171|2.614203|2.926012|0.077319|3.786341|4.091515|5.513548|7.998336|6.279868|4.380959|11.131466|7.501780|12.546772|36.858105| |1.869859|2.085381|2.231056|2.095558|1.876472|1.787806|2.179182|0.063105|1.899381|1.724894|1.563465|1.574906|12.767364|3.329710|2.694756|4.720759|2.981972|4.079339|0.085742|2.450485|2.422770|2.917695|3.374979|0.086930|4.604330|5.266643|8.127253|14.154781|7.924836|5.220803|11.873800|6.262388|7.798973|13.430888|73.516695| |17.724824|8.910679|5.647483|4.935858|5.641596|8.914366|3.539506|0.091127|3.067084|2.871626|2.476309|2.366535|18.724817|4.335620|2.649437|4.298647|2.392058|2.766717|0.056312|1.878635|1.642965|1.630178|1.837848|0.051084|1.865436|1.827657|1.806741|1.820504|1.856416|1.879756|3.265155|1.640040|1.611654|1.595392|3.141781|0.500000| |8.907702|17.723787|8.927941|5.633412|4.953275|5.648711|4.103451|0.114191|3.259979|3.025079|2.498070|2.342909|18.802900|4.962763|3.092882|5.117235|2.712690|3.128533|0.065307|2.053939|1.797159|1.812766|2.064793|0.056067|2.155192|2.171315|2.182596|2.177106|2.158968|2.149158|3.725291|1.851118|1.852209|1.871956|3.785820|0.214633|0.500000| |5.650817|8.936318|17.697128|8.901071|5.647355|4.959567|7.080882|0.224630|4.700179|4.123881|3.156335|2.922634|24.505876|7.843050|4.743516|7.941350|3.725947|4.176217|0.089908|2.664483|2.260844|2.261755|2.613538|0.069073|2.706946|2.771621|2.701707|2.579383|2.524078|2.583588|4.161683|2.021228|1.997973|2.073150|4.325785|0.124256|0.215972|0.500000| |5.650381|4.953841|5.645170|8.892059|17.727570|8.941148|6.890311|0.141616|7.018625|5.639229|4.707345|4.773893|43.030813|7.650399|4.077591|6.287547|3.406549|3.792403|0.075655|2.699077|2.217572|2.081153|2.346077|0.065644|2.222862|2.116791|1.970765|1.917427|1.993250|2.146487|3.383858|1.668440|1.584842|1.588566|3.154441|0.124296|0.107549|0.123981|0.500000| |8.915718|5.649422|4.961648|5.639615|8.929517|17.723650|4.070083|0.096861|3.803730|3.489963|3.082264|3.027470|24.245080|4.924364|2.889457|4.588276|2.587642|2.962401|0.059278|2.072846|1.777590|1.718288|1.928613|0.054296|1.889322|1.813336|1.742512|1.736857|1.801816|1.881309|3.143212|1.571883|1.511741|1.494810|2.930541|0.214844|0.124132|0.107645|0.216353|0.500000| |3.469538|3.701706|4.593384|5.619981|4.895680|3.852522|6.660839|0.191804|8.928071|17.732621|8.590117|5.733342|37.733721|6.136746|3.913892|7.264175|2.998726|3.679592|0.079010|2.668962|2.259092|2.081503|2.231909|0.059286|2.122081|2.140924|1.984303|1.843072|1.829118|1.951601|3.008198|1.509198|1.466557|1.523419|3.048447|0.082181|0.089533|0.122958|0.137473|0.094546|0.500000| |2.564843|2.571070|2.937137|3.514379|3.498213|2.921334|4.020059|0.106993|5.718122|8.583941|17.753104|8.927745|37.746927|4.495329|3.030931|5.559914|2.513372|3.216854|0.067346|2.489287|2.151652|1.919398|1.990368|0.053724|1.839794|1.824169|1.675492|1.565515|1.573938|1.696797|2.609894|1.326838|1.277776|1.317583|2.584981|0.063605|0.063833|0.077975|0.108229|0.077415|0.201792|0.500000| |2.382170|2.341737|2.659109|3.260716|3.370393|2.784183|3.816229|0.095235|5.398331|5.682169|8.766619|17.792429|55.313121|4.778815|3.262245|5.713128|2.829345|3.630702|0.073096|2.974049|2.506509|2.155943|2.228371|0.061539|1.984100|1.904442|1.715111|1.613646|1.659810|1.831397|2.758140|1.395180|1.318747|1.345731|2.625123|0.059319|0.057899|0.069915|0.110802|0.075516|0.122508|0.203589|0.500000| |4.095006|4.393754|5.691120|7.509811|6.243883|4.638030|8.983926|0.183263|6.262998|4.372757|3.615437|3.857295|41.015215|26.019471|9.432602|10.828588|7.472151|6.576231|0.125909|4.189533|3.161904|3.035642|3.745916|0.104559|3.502828|3.193769|2.850924|2.749300|2.935479|3.319810|4.805889|2.250345|2.082880|2.098412|4.310213|0.094011|0.102542|0.145692|0.167997|0.109850|0.108146|0.083722|0.092096|0.500000| |2.702988|2.860617|3.379812|3.852331|3.486445|2.925928|4.638600|0.115657|4.089665|3.198449|2.899504|3.223240|31.901251|9.718790|8.695948|10.687148|17.631542|12.340053|0.184494|7.234479|4.808317|4.615973|6.432772|0.194860|5.108491|4.101364|3.367427|3.215313|3.633042|4.627250|5.724823|2.621054|2.317813|2.332705|4.762551|0.066355|0.071920|0.093738|0.098859|0.074346|0.079651|0.069416|0.081915|0.214802|0.500000| |2.776039|3.079480|3.674174|3.867640|3.308526|2.855930|4.513891|0.121292|3.655079|2.952376|2.591232|2.733666|25.319783|9.107001|8.874621|11.553993|17.614003|12.398162|0.215491|5.599482|4.290585|4.685003|7.219979|0.189901|7.199497|5.725616|4.636387|4.389250|4.950444|6.388564|7.300157|3.164994|2.814447|2.886054|6.207549|0.068257|0.079400|0.107470|0.088686|0.071034|0.076701|0.063164|0.068896|0.187600|0.300220|0.500000| |2.153362|2.290555|2.712257|3.073063|2.760371|2.319596|3.971472|0.108089|4.068323|3.424573|3.276796|3.680362|32.902909|6.603546|6.528223|12.381504|6.705022|12.280881|0.233866|17.665315|8.589716|5.739865|5.739556|0.143757|4.193411|3.833561|3.032046|2.678893|2.790457|3.386338|4.302486|2.098527|1.921115|2.012137|4.045891|0.053505|0.058567|0.077580|0.080068|0.059692|0.084235|0.079250|0.095370|0.119594|0.173920|0.137814|0.500000| |2.110357|2.204231|2.544654|2.869818|2.668249|2.283707|3.485941|0.091112|3.465662|2.893080|2.794944|3.197494|29.212302|6.066917|5.531628|8.892112|7.262596|12.413088|0.183160|17.627070|8.722994|6.247919|6.849324|0.203556|4.540725|3.751275|2.987285|2.755923|3.025087|3.838638|4.739268|2.285937|2.030692|2.075356|4.116396|0.052885|0.056396|0.071329|0.077823|0.059548|0.071548|0.068165|0.085019|0.120664|0.231367|0.149976|0.300580|0.500000| |1.730233|1.841101|2.106707|2.270292|2.069747|1.816429|2.726965|0.076850|2.733752|2.464094|2.400689|2.592199|20.941958|4.267843|3.914731|7.629948|4.315913|8.555231|0.175956|8.773822|17.614701|8.734402|5.833115|0.138039|4.271623|4.045936|3.143252|2.711611|2.774840|3.347791|4.221836|2.123228|1.943593|2.071686|4.080352|0.043942|0.048339|0.061081|0.058958|0.047319|0.063397|0.060949|0.069629|0.080617|0.111486|0.103381|0.221476|0.176596|0.500000| |1.695751|1.775679|2.003101|2.175111|2.031091|1.795371|2.550583|0.069621|2.560182|2.278576|2.247565|2.487810|20.455538|4.077248|3.600256|6.451112|4.275841|8.001834|0.142070|8.825622|17.617780|8.684746|6.087128|0.166224|4.176124|3.616591|2.877682|2.607013|2.793754|3.463800|4.351218|2.186227|1.950929|2.024976|3.918778|0.043278|0.046454|0.057022|0.058436|0.047272|0.058064|0.056905|0.067969|0.080137|0.119817|0.102625|0.186576|0.226347|0.303743|0.500000| |1.727020|1.865882|2.116987|2.200477|1.980430|1.770617|2.562321|0.073331|2.419430|2.168607|2.045686|2.151148|17.604228|4.083053|3.773290|7.176637|4.478550|9.127204|0.194407|6.117587|8.744916|17.606201|8.823876|0.174656|7.010898|6.835388|4.709602|3.826389|3.855818|4.814012|5.498310|2.741745|2.480611|2.722522|5.444384|0.044110|0.049800|0.062493|0.055001|0.045814|0.057184|0.052160|0.056942|0.078401|0.109598|0.118381|0.140819|0.135340|0.227558|0.178267|0.500000| |1.648398|1.749846|1.953905|2.048875|1.889493|1.703471|2.335805|0.064948|2.229730|1.989577|1.906363|2.041934|16.791844|3.758397|3.332833|5.937779|4.168130|7.875843|0.143627|5.805688|8.644684|17.619779|8.830382|0.221601|6.253881|5.074435|3.862322|3.475253|3.793571|4.944437|5.644785|2.837511|2.465787|2.595477|5.000784|0.042372|0.046550|0.056517|0.052986|0.044584|0.051983|0.048631|0.054854|0.074732|0.110481|0.110495|0.125466|0.145570|0.184705|0.222428|0.304103|0.500000| |1.947878|2.173236|2.498528|2.499989|2.171255|1.947796|2.893964|0.086162|2.579701|2.303957|2.088946|2.129298|17.559158|4.593165|4.315061|8.484358|4.836498|8.464535|0.214652|4.595825|4.752520|6.320448|6.876991|0.139001|8.830937|17.698603|8.993317|5.646849|4.937149|5.636929|6.506783|3.138295|2.965252|3.452044|7.591692|0.049484|0.058831|0.076575|0.058597|0.049478|0.062238|0.053137|0.055018|0.086414|0.108618|0.141643|0.116408|0.106001|0.128743|0.105934|0.223859|0.140817|0.500000| |1.883654|2.126818|2.365064|2.253894|1.969311|1.825609|2.456479|0.073430|2.151114|1.960174|1.766712|1.768172|14.286874|3.740255|3.200431|5.981916|3.435919|5.051317|0.114620|2.961984|2.983567|3.666237|4.078098|0.096266|5.635217|8.900437|17.743655|9.000857|5.665907|4.981176|7.495709|3.763494|3.926755|5.247782|13.354032|0.048632|0.059467|0.073415|0.052066|0.046381|0.054236|0.045562|0.045769|0.072442|0.081586|0.107710|0.077297|0.073932|0.080864|0.072343|0.115642|0.093062|0.216188|0.500000| |2.018612|2.158873|2.366651|2.402696|2.211978|2.040434|2.587729|0.070502|2.296817|1.993337|1.841717|1.946556|16.633440|4.356750|3.649439|5.832727|5.010070|6.872316|0.121540|3.946200|3.780095|4.834679|7.019113|0.228332|8.853713|5.638056|4.979248|5.673608|9.036850|17.714798|13.452657|5.270811|3.939770|3.772498|7.516380|0.052037|0.057905|0.068124|0.060172|0.052900|0.052663|0.046513|0.051171|0.092676|0.134995|0.167520|0.091986|0.110794|0.089152|0.097470|0.118974|0.134290|0.123346|0.108015|0.500000| |1.607817|1.720062|1.814675|1.773183|1.650172|1.578600|1.842169|0.051478|1.661384|1.504181|1.400806|1.444929|11.715892|2.860155|2.289076|3.894545|2.680472|3.743106|0.073595|2.363246|2.415540|2.959374|3.351478|0.094202|4.211279|3.891513|4.384246|5.932787|7.369310|5.559162|16.506088|17.533806|8.809548|6.833154|9.939609|0.042601|0.047754|0.052740|0.044388|0.041366|0.040749|0.036233|0.038325|0.059595|0.071269|0.084318|0.059019|0.064543|0.061599|0.063810|0.081433|0.085979|0.089773|0.104451|0.147498|0.500000| |1.685602|1.789785|1.855488|1.800246|1.693640|1.643905|1.828667|0.050577|1.638924|1.480870|1.375831|1.418461|11.532581|2.829666|2.201954|3.676311|2.552945|3.405228|0.066425|2.163921|2.144225|2.521358|2.911032|0.083911|3.507875|3.204697|3.553494|4.715977|5.923491|4.627768|17.010477|17.643579|8.864949|5.491709|8.422235|0.045033|0.049906|0.053342|0.045316|0.043238|0.040160|0.035565|0.037585|0.060026|0.069169|0.080987|0.054635|0.060181|0.054652|0.057090|0.068231|0.072012|0.075496|0.086681|0.131647|0.301345|0.500000| |1.539574|1.654557|1.709781|1.632100|1.520948|1.482149|1.658271|0.046761|1.490524|1.369025|1.269527|1.290865|10.304230|2.498105|1.950194|3.354497|2.169897|2.952103|0.059606|1.890197|1.901186|2.223995|2.463935|0.067844|2.992394|2.997552|3.567447|4.671511|4.673278|3.568580|10.095909|8.950253|17.523367|8.949787|10.095775|0.041334|0.046884|0.049916|0.040461|0.038860|0.037597|0.033104|0.034164|0.051848|0.057426|0.067753|0.048650|0.051396|0.049759|0.050147|0.062549|0.062818|0.072318|0.092947|0.093194|0.212046|0.216589|0.500000| |1.776755|1.930834|1.987958|1.868560|1.727376|1.690132|1.876521|0.052932|1.654330|1.507660|1.381523|1.399727|11.290423|2.841508|2.198480|3.734963|2.438687|3.215247|0.065032|2.013991|1.972780|2.290059|2.627443|0.072187|3.254228|3.259086|3.962658|5.494849|5.497245|3.966484|12.664234|8.910915|17.566062|8.910051|12.661062|0.047622|0.055120|0.058321|0.045428|0.043946|0.041513|0.035838|0.036756|0.059333|0.064024|0.078154|0.052039|0.054801|0.051425|0.051509|0.064043|0.063223|0.077405|0.101833|0.102205|0.173553|0.213905|0.301801|0.500000| |1.569531|1.711819|1.814603|1.739344|1.590042|1.519900|1.815409|0.052050|1.629700|1.496185|1.382195|1.401779|11.200885|2.749873|2.219964|3.915858|2.476333|3.513084|0.072673|2.204790|2.269336|2.760630|3.010774|0.079075|3.880458|4.220405|5.560264|7.366882|5.936533|4.383209|9.934024|6.831014|8.808579|17.536179|16.508841|0.041558|0.048225|0.053954|0.042383|0.039491|0.041117|0.035981|0.036964|0.055824|0.063555|0.077263|0.056473|0.058302|0.059930|0.058562|0.080753|0.077277|0.099613|0.147049|0.104589|0.203772|0.140437|0.212057|0.173540|0.500000| 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