Version2.1 2020-12-16T21:35:32Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCC(C)(C)n1c(nnn1)[C@@H](c2cc3cc4c(cc3[nH]c2=O)OCCO4)[NH+]5CCC[C@@H](C5)C C06149223 RHF 6-31G(d) (6D,7F) CCC(C)(C)n1c(nnn1)[C@@H](c2cc3cc4c(cc3[nH]c2=O)OCCO4)[NH+]5CCC[C@@H](C5)C C01[X(C24H33N6O3)] 192 C1 561 CCC(n1nnnc1[C@@H](c1cc2cc3OCCOc3cc2[nH]c1=O)[NH+]1CCC[C@@H](C1)C)(C)C CCC(n1nnnc1[C@@H](c1cc2cc3OCCOc3cc2[nH]c1=O)[NH+]1CCC[C@@H](C1)C)(C)C CCC(C)(C)n1nnnc1[C@H]([NH+]2CCC[C@H](C)C2)C3=Cc4cc5OCCOc5cc4NC3=O InChIKey=BFGLMQOTXGGJHX-YCRPNKLZSA-O InChI=1S/C24H32N6O3/c1-5-24(3,4)30-22(26-27-28-30)21(29-8-6-7-15(2)14-29)17-11-16-12-19-20(33-10-9-32-19)13-18(16)25-23(17)31/h11-13,15,21H,5-10,14H2,1-4H3,(H,25,31)/p+1/t15-,21+/m0/s1 InChI=1/C24H32N6O3/c1-5-24(3,4)30-22(26-27-28-30)21(29-8-6-7-15(2)14-29)17-11-16-12-19-20(33-10-9-32-19)13-18(16)25-23(17)31/h11-13,15,21H,5-10,14H2,1-4H3,(H,25,31)/p+1/t15-,21+/m0/s1/fC24H33N6O3/h25,29H/q+1 CCC(C)(C)n1c(nnn1)[C@@H](c2cc3cc4c(cc3[nH]c2=O)OCCO4)[NH+]5CCC[C@@H](C5)C C01[X(C24H33N6O3)] 192 C01 561 CCC(n1nnnc1[C@@H](c1cc2cc3OCCOc3cc2[nH]c1=O)[NH+]1CCC[C@@H](C1)C)(C)C CCC([N]1[N][N][N][C]1[C@@H](C1=[CH][C]2[CH][C]3[C]([CH][C]2N[C]1[O])OCCO3)[NH]1CCC[C@@H](C1)C)(C)C CCC(C)(C)N1[N][N][N][C]1[C@H]([NH]2CCC[C@H](C)C2)C3=C[C]4[CH][C]5OCCO[C]5[CH][C]4N[C]3[O] InChIKey=CURPGKVQYBFBEJ-YCRPNKLZSA-N InChI=1S/C24H33N6O3/c1-5-24(3,4)30-22(26-27-28-30)21(29-8-6-7-15(2)14-29)17-11-16-12-19-20(33-10-9-32-19)13-18(16)25-23(17)31/h11-13,15,21,29H,5-10,14H2,1-4H3,(H,25,31)/t15-,21+/m0/s1 InChI=1/C24H33N6O3/c1-5-24(3,4)30-22(26-27-28-30)21(29-8-6-7-15(2)14-29)17-11-16-12-19-20(33-10-9-32-19)13-18(16)25-23(17)31/h11-13,15,21,29H,5-10,14H2,1-4H3,(H,25,31)/t15-,21+/m0/s1/f/h25H 3567.0778476984 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4844.98 4871.71 4878.71 4885.52 5020.22 5514.13 0.608721 0.636897 0.637841 0.548814 -1478.498052 -1478.469877 -1478.468932 -1478.557959 2.985980D-04 MUNgauss RevisionA2.0 retrievium 16-Dec-2020 DUDE CCC(C)(C)n1c(nnn1)[C@@H](c2cc3cc4c(cc3[nH]c2=O)OCCO4)[NH+]5CCC[C@@H](C5)C C06149223 RHF 6-31G(d) (6D,10F) C1 453.261414 |X|Y|Z| 68.098157 110.684041 34.794451 64.009355 26 6 7 8 18 6 2 |36.858105| |12.435793|36.858105| |7.320612|12.312097|36.858105| |6.120094|7.517221|12.434346|36.858105| |6.159488|7.532774|12.449047|7.535735|36.858105| |4.917168|7.740905|12.629208|7.738610|7.713515|53.358707| |3.692026|5.020642|7.237928|5.917624|5.966647|19.302031|36.858105| |3.192830|4.250049|5.240871|4.446376|4.414078|12.106981|14.741596|53.358707| |3.510409|4.890583|5.419235|4.379425|4.296350|12.363274|9.079367|19.522447|53.358707| |4.559481|7.196960|7.759434|5.540942|5.406816|19.483021|8.933409|12.232366|20.733476|53.358707| |3.179243|3.940510|5.603425|5.272242|5.445496|9.963234|12.577969|10.644068|7.312586|7.147749|36.858105| |3.431070|4.130947|6.195500|6.249871|6.386580|9.305963|8.862242|7.822909|6.113897|6.439731|17.676820|0.500000| |2.767341|3.317421|4.338929|3.884738|4.694867|7.249311|7.626479|8.498535|6.169802|5.827902|12.474993|0.246906|36.858105| |2.790056|3.240887|4.162130|3.642893|5.025979|6.313242|5.665725|6.357017|5.144593|5.120815|7.591024|0.200306|14.158273|36.858105| |2.410727|2.729330|3.278248|2.887016|3.890535|4.888162|4.165504|5.125142|4.345123|4.251593|4.952546|0.129971|7.808736|13.284219|36.858105| |2.319065|2.541375|2.959294|2.616766|3.616920|4.190149|3.359393|4.144442|3.685416|3.700169|3.810373|0.105480|5.110830|7.637373|13.568682|36.858105| |2.026389|2.194396|2.472389|2.211693|2.913705|3.509402|2.783725|3.560222|3.227699|3.202898|3.061718|0.083612|3.931753|5.100665|7.917677|13.961426|36.858105| |1.858997|2.034046|2.273448|2.046891|2.580105|3.314338|2.676833|3.538173|3.190801|3.087909|2.919195|0.077367|3.785118|4.526745|6.863494|7.946462|13.502009|36.858105| |1.902058|2.122255|2.402072|2.162320|2.666899|3.616725|3.021089|4.073876|3.579085|3.377546|3.328480|0.085201|4.532323|5.137055|7.877548|6.839607|7.862383|13.832975|36.858105| |2.143863|2.438912|2.852292|2.545493|3.188725|4.395300|3.822680|5.046849|4.250511|3.990698|4.393626|0.109374|6.769398|7.864007|13.665460|7.897893|6.855390|7.976639|13.712594|36.858105| |2.136688|2.476059|2.919298|2.637756|3.110252|4.703601|4.328359|5.993591|4.797637|4.314418|5.032119|0.116943|7.963238|7.010297|8.001070|5.200118|4.580207|5.204813|7.895408|13.795124|53.358707| |1.950980|2.245064|2.587609|2.366643|2.700514|4.151178|3.740520|5.394895|4.427650|3.923307|4.175574|0.098356|5.801886|5.127143|5.796863|4.263707|4.014464|4.792682|7.302329|9.233119|25.952552|0.500000| |2.350899|2.785405|3.406831|3.107831|3.520581|5.741112|5.802078|7.935571|5.780879|5.095907|7.371311|0.153737|12.956661|7.841529|6.708191|4.489439|3.767489|3.948292|5.164858|7.815032|19.150926|0.266117|36.858105| |2.218402|2.629624|3.161535|2.974676|3.112406|5.395997|5.470791|8.181087|5.855406|4.960514|6.538188|0.136189|8.037178|5.368893|4.703868|3.494130|3.060514|3.241643|4.104329|5.405373|11.611639|0.221216|15.671097|73.516695| |1.663967|1.800182|1.972791|1.793346|2.203200|2.854036|2.271417|3.044046|2.796037|2.704470|2.431849|0.064759|3.009538|3.437115|4.634818|5.260756|7.968621|14.271600|8.183652|5.297018|5.469854|0.109120|3.177271|4.860434|73.516695| |1.591793|1.693283|1.839220|1.683643|2.069903|2.603804|2.035110|2.695844|2.507207|2.461737|2.173434|0.059028|2.609295|3.004770|3.865516|4.675058|7.015968|8.126652|5.289944|4.031866|4.340258|0.085637|2.661600|4.134069|23.887675|36.858105| |1.732104|1.828235|1.977893|1.789835|2.275042|2.755247|2.117302|2.764426|2.595288|2.589671|2.241911|0.061694|2.668515|3.166026|4.044071|5.335053|8.190442|7.053200|4.686930|3.894640|4.152767|0.079592|2.618700|4.027098|14.135355|12.604894|36.858105| |1.918672|2.031156|2.242648|2.023487|2.647356|3.103083|2.397595|3.064143|2.838610|2.854746|2.592695|0.072187|3.147681|3.932735|5.234737|8.107333|14.092462|7.932076|5.209700|4.611901|4.705069|0.087013|2.986134|4.480596|12.136519|7.993116|13.504454|73.516695| |2.702994|3.240461|4.244593|4.425696|3.928250|7.165568|7.731393|8.887229|6.296710|5.835348|12.587648|0.253048|7.621895|5.173236|3.897495|3.104851|2.615995|2.568237|2.949130|3.729076|6.092479|0.109923|6.516283|12.731960|3.901505|1.966193|1.984894|3.999283|53.358707| |2.492644|2.996698|3.761329|3.751628|3.494484|6.554958|7.141707|9.728494|6.579789|5.709908|9.446518|0.183483|7.460438|4.915505|3.897127|3.056186|2.622979|2.642803|3.113363|3.942651|6.875192|0.127065|7.798249|18.459653|4.025762|2.000237|1.994683|3.973849|25.410103|0.500000| |2.369706|2.711506|3.439577|3.680698|3.381817|5.280498|4.996123|5.943432|4.633785|4.419596|7.637178|0.199665|6.367521|4.863193|3.815259|3.097045|2.626298|2.572574|2.925124|3.639543|5.766964|0.105179|5.682615|10.664177|3.921217|1.991899|1.990422|4.034937|17.252467|0.258955|36.858105| |2.052351|2.314293|2.799107|3.018588|2.695700|4.266568|3.851190|4.958383|4.024044|3.771176|4.969736|0.129014|4.428711|3.582845|3.043792|2.553622|2.251530|2.254913|2.558150|3.039252|4.850160|0.093737|4.469184|9.154975|3.527480|1.798685|1.771446|3.514460|10.436765|0.200949|12.511790|36.858105| |2.082651|2.341463|2.790672|3.127096|2.584785|4.210350|3.659918|4.759892|3.999188|3.781843|4.338055|0.115395|3.623488|3.002500|2.559574|2.201995|1.956950|1.947540|2.172567|2.530513|3.953959|0.077107|3.562871|7.248632|3.087115|1.591156|1.580706|3.106478|8.832956|0.165394|7.554456|12.472171|36.858105| |2.319199|2.683197|3.208524|3.599292|2.831718|5.052935|4.457725|5.958415|4.958743|4.599413|4.906492|0.124867|3.827150|3.082289|2.588115|2.209140|1.954658|1.945315|2.180166|2.558915|4.046206|0.078633|3.737628|7.764773|3.075728|1.577797|1.579166|3.094116|10.375594|0.198168|6.503283|7.563701|12.447132|36.858105| |2.191785|2.556307|3.000219|3.213902|2.665565|4.870857|4.383060|6.303284|5.179919|4.595669|4.655131|0.112957|3.819783|3.032004|2.594797|2.195720|1.961726|1.982430|2.251700|2.634436|4.273530|0.084696|3.960213|8.718468|3.143614|1.598294|1.587468|3.087540|9.545311|0.215081|5.766100|6.868232|8.894215|17.504005|0.500000| |2.802305|3.353681|4.288263|4.897617|3.665078|7.020806|6.582615|7.917910|6.223583|5.922374|7.471455|0.186689|4.921795|3.815470|3.032171|2.546239|2.194921|2.147886|2.405587|2.903462|4.560908|0.085465|4.395838|8.677751|3.339387|1.709749|1.734540|3.445552|17.251558|0.255141|7.741425|6.543611|7.567985|12.447064|0.248907|36.858105| |2.283150|2.597681|2.986752|3.449103|2.576482|4.530601|3.695745|4.978934|4.475294|4.264228|3.776329|0.100380|3.021579|2.549853|2.184251|1.914551|1.713178|1.697435|1.870363|2.147070|3.303302|0.064732|2.921961|5.852772|2.718443|1.409970|1.418276|2.755303|6.752380|0.129727|4.396504|4.897882|7.491848|12.454182|0.247683|7.621788|36.858105| |17.581443|8.679974|6.520282|5.344062|6.711362|6.076088|3.483883|4.071360|4.359165|5.482592|3.103486|0.094228|2.780408|2.893305|2.520905|2.475782|2.153753|1.945312|1.964091|2.205456|2.935391|0.054405|2.341104|3.866664|3.089179|1.675125|1.845975|3.660127|3.538344|0.066598|2.321658|1.996235|1.993810|2.179895|0.057340|2.621684|2.115220|0.500000| |17.576820|8.684608|6.567252|6.712385|5.435081|6.088354|3.481541|4.079194|4.382875|5.522896|3.088928|0.094258|2.641999|2.639519|2.270110|2.179215|1.907382|1.754141|1.797279|2.024827|2.763325|0.051657|2.247906|3.808763|2.799087|1.510326|1.632618|3.216935|3.666743|0.068179|2.390079|2.082598|2.143312|2.377792|0.061528|2.860829|2.378393|0.301135|0.500000| |17.578727|8.917489|5.428284|4.687530|4.688767|5.640238|3.213189|3.937214|4.424353|5.608900|2.761089|0.080880|2.452066|2.463590|2.177861|2.107739|1.873453|1.733744|1.769701|1.968031|2.672946|0.050330|2.136006|3.613587|2.787727|1.504020|1.633448|3.175493|3.267224|0.062491|2.115862|1.865594|1.900768|2.116392|0.056133|2.497444|2.107474|0.303751|0.303663|0.500000| |8.887056|17.595462|8.850993|5.507651|6.913214|9.803697|4.856718|5.847560|6.978414|10.231292|3.756036|0.105893|3.316711|3.284801|2.827268|2.645900|2.298640|2.134408|2.222291|2.539072|3.479162|0.064433|2.826104|4.693531|3.359167|1.771500|1.923727|3.778529|4.158562|0.080391|2.562252|2.195994|2.188514|2.492522|0.067246|3.063250|2.384159|0.210481|0.172606|0.216661|0.500000| |8.901741|17.614137|8.848917|6.929000|5.513345|9.768309|4.819233|5.847159|7.062192|10.470444|3.707865|0.105206|3.077294|2.918062|2.481785|2.289850|2.004497|1.887899|1.987012|2.270455|3.196308|0.059905|2.658871|4.576862|2.994293|1.579484|1.685665|3.295178|4.345084|0.082807|2.641035|2.301482|2.378259|2.784992|0.073921|3.439766|2.765012|0.172795|0.209581|0.218503|0.305719|0.500000| |6.821250|6.820467|8.823732|17.616491|6.865317|7.601960|4.497329|4.860247|4.848922|5.971858|4.223776|0.139733|3.335306|3.254442|2.650810|2.471893|2.105955|1.931344|2.007972|2.325390|3.218484|0.059280|2.713290|4.593704|3.031542|1.620584|1.734229|3.482320|4.959665|0.087317|3.211577|2.690001|2.783125|3.090712|0.076915|3.956845|3.023332|0.168749|0.236065|0.140173|0.139681|0.169083|0.500000| |4.631399|5.455563|8.727150|17.570769|6.845156|9.487652|6.288787|6.190365|5.665667|6.659533|6.403928|0.234155|4.417482|4.056528|3.115873|2.776638|2.319414|2.145931|2.283639|2.726871|3.877525|0.070400|3.430859|5.831849|3.317286|1.745454|1.843037|3.737176|7.360475|0.120097|4.528430|3.554452|3.652020|4.136760|0.099519|5.951072|3.805909|0.119786|0.138169|0.103637|0.122954|0.141379|0.304295|0.500000| |5.552705|6.904754|8.784338|17.575446|5.484799|9.577332|5.497907|6.036441|6.166153|7.727303|4.685133|0.143124|3.479680|3.177218|2.583002|2.333846|2.009577|1.889928|2.009380|2.341264|3.358043|0.062456|2.909243|5.100901|2.972909|1.566598|1.650554|3.274434|5.784894|0.102159|3.478241|2.967589|3.192389|3.818602|0.094361|5.101338|3.842338|0.127931|0.172656|0.126095|0.142080|0.209047|0.301422|0.300716|0.500000| |5.505653|6.831039|8.781860|5.484485|17.577524|9.643994|5.656236|6.036230|6.006261|7.442963|4.979929|0.149166|4.699653|5.226262|4.215907|3.969638|3.191130|2.806393|2.882811|3.433873|4.461005|0.078744|3.604210|5.557660|4.234192|2.226724|2.479591|5.128472|4.905896|0.092428|3.105164|2.512621|2.380248|2.603578|0.069613|3.284816|2.360752|0.170639|0.128219|0.124260|0.205501|0.141023|0.139752|0.140666|0.122826|0.500000| |4.681103|5.466106|8.741347|6.940084|17.606163|9.333143|6.241867|6.058331|5.501878|6.460273|6.629085|0.241934|5.685912|6.315820|4.512194|4.096158|3.182638|2.787350|2.898559|3.556708|4.698022|0.081660|3.976937|6.107146|4.163752|2.190982|2.394081|5.054505|6.149501|0.108321|3.977478|3.038519|2.841184|3.048003|0.078911|4.009965|2.697206|0.138995|0.122606|0.104094|0.140613|0.123030|0.172901|0.206771|0.141032|0.300459|0.500000| |6.987121|6.929928|8.846552|6.792897|17.625029|7.597305|4.507038|4.835308|4.798579|5.905342|4.281200|0.139997|3.799424|4.134509|3.376341|3.280577|2.699892|2.370722|2.400903|2.792935|3.661148|0.065867|2.971865|4.739936|3.653506|1.965435|2.178181|4.486783|4.521667|0.082485|2.978975|2.433301|2.358177|2.540492|0.066055|3.184030|2.362487|0.240569|0.174212|0.142138|0.171301|0.141220|0.202206|0.166976|0.139637|0.301297|0.305280|0.500000| |3.094706|3.532015|4.666721|4.072833|6.218852|6.522134|5.411342|5.781358|4.881253|5.104285|7.016974|0.218145|9.060186|17.721919|8.866778|7.061922|4.697705|3.951744|4.177554|5.636256|6.837920|0.110468|5.576548|7.605933|5.513924|2.819921|3.059643|6.846109|6.464939|0.119353|4.524933|3.340354|2.883575|2.955000|0.078867|3.705634|2.498881|0.090965|0.081469|0.074456|0.097920|0.086068|0.102828|0.126758|0.095039|0.173518|0.241267|0.141689|0.500000| |2.478384|2.666002|3.112657|2.753925|3.971328|4.232167|3.289702|3.957573|3.573520|3.681448|3.713030|0.107300|4.659514|6.931677|8.818546|17.727895|9.061061|5.657728|4.935629|5.615614|5.714909|0.097805|3.890073|5.552913|7.545584|4.058434|4.868508|13.226415|4.077077|0.079987|2.994903|2.455922|2.149509|2.156102|0.058739|2.505784|1.889060|0.074841|0.064715|0.062038|0.076597|0.065757|0.073432|0.080936|0.067186|0.120507|0.126228|0.102433|0.210855|0.500000| |1.757619|1.959743|2.190010|1.989658|2.373755|3.320958|2.772999|3.841434|3.399327|3.161533|3.003870|0.076215|3.929433|4.160982|5.601771|4.936822|5.622330|9.002630|17.739547|8.831011|9.667095|0.215373|4.719993|7.086890|13.341546|4.841995|4.071743|7.501004|3.748896|0.082212|2.729978|2.460231|2.099301|2.106107|0.061167|2.277886|1.813440|0.050011|0.046278|0.045785|0.056962|0.051580|0.051308|0.058145|0.052020|0.070725|0.070777|0.059679|0.096117|0.107270|0.500000| |1.487280|1.577259|1.693355|1.553467|1.882594|2.398833|1.863557|2.493644|2.342069|2.294084|1.964329|0.053197|2.317132|2.606094|3.236043|3.748017|5.121617|5.956213|4.397067|3.424474|3.844828|0.077357|2.386087|3.774244|16.875329|17.655618|8.823901|10.167428|2.443347|0.050931|1.809515|1.654200|1.476484|1.468182|0.041450|1.578832|1.321432|0.043330|0.039204|0.039313|0.045930|0.041098|0.041607|0.044485|0.040428|0.056201|0.054770|0.049852|0.068211|0.092751|0.118602|0.500000| |1.537480|1.627712|1.778547|1.649157|1.999346|2.504668|1.965181|2.587022|2.391441|2.351334|2.130176|0.058282|2.544751|2.923370|3.702740|4.443600|6.301318|6.880637|4.827455|3.815125|4.169758|0.082291|2.587398|4.043031|16.546947|17.580935|8.877316|12.773932|2.651553|0.054790|2.008088|1.821144|1.602634|1.571238|0.044043|1.693354|1.402352|0.044905|0.040818|0.040243|0.046867|0.042255|0.044230|0.047819|0.042607|0.058928|0.059328|0.052984|0.076682|0.109149|0.123383|0.299845|0.500000| |1.779462|1.885069|2.016200|1.800961|2.311658|2.820371|2.149183|2.828990|2.685896|2.680608|2.229615|0.060923|2.639087|3.100396|3.908258|4.975251|7.067431|6.440515|4.540306|3.804808|4.108814|0.079013|2.596674|4.002262|12.687403|8.870662|17.557365|16.522700|2.669112|0.054977|1.933464|1.721448|1.548078|1.563518|0.043816|1.722648|1.409588|0.052693|0.046204|0.046867|0.055737|0.048235|0.048363|0.051035|0.046252|0.071086|0.066543|0.061283|0.083049|0.126411|0.111160|0.213084|0.173676|0.500000| |1.650970|1.719658|1.846064|1.685639|2.119765|2.537977|1.931086|2.512858|2.376066|2.387392|2.040710|0.056735|2.374792|2.786234|3.405853|4.382340|5.937271|5.116255|3.736614|3.235783|3.574790|0.068885|2.310426|3.604668|10.144006|8.849252|17.651438|16.875790|2.479785|0.050545|1.837229|1.646209|1.480045|1.473368|0.040963|1.611007|1.333516|0.049046|0.043405|0.043391|0.050030|0.044084|0.045775|0.048097|0.043230|0.063594|0.061690|0.057196|0.076356|0.117892|0.092701|0.207845|0.213602|0.299848|0.500000| |2.488732|2.797063|3.596279|4.033243|3.575502|5.224472|4.667723|5.320167|4.318140|4.278881|6.929194|0.214979|5.525278|4.616468|3.589582|3.019738|2.541966|2.432497|2.688583|3.288726|4.937836|0.089792|4.593272|8.156032|3.723910|1.923496|1.946104|3.971232|12.408826|0.181565|17.584854|8.778840|6.805982|5.786011|0.134312|7.151802|4.264058|0.067999|0.070777|0.061084|0.072147|0.075050|0.099232|0.144118|0.103654|0.088515|0.119186|0.088999|0.127713|0.083480|0.069046|0.048499|0.054081|0.052350|0.050342|0.500000| |2.271894|2.585652|3.249412|3.331110|3.335566|4.973613|4.697104|5.656428|4.415151|4.193342|7.269601|0.186489|7.552754|5.792049|4.569495|3.583564|3.004941|2.957174|3.419552|4.380369|6.991575|0.124015|6.894555|11.950641|4.428261|2.224431|2.205032|4.521348|12.337147|0.222991|17.690770|8.820245|5.501453|4.875637|0.128877|5.630256|3.553108|0.062730|0.062873|0.056531|0.069097|0.068976|0.082038|0.110779|0.085967|0.087115|0.110373|0.081502|0.141973|0.094216|0.087524|0.055547|0.062592|0.058993|0.056060|0.301369|0.500000| |1.903319|2.106158|2.515405|2.714622|2.475648|3.724669|3.254842|4.166998|3.476578|3.306556|4.136235|0.111982|3.877709|3.310149|2.889071|2.475462|2.203826|2.202689|2.466931|2.874988|4.453490|0.086641|3.894764|7.614319|3.471143|1.785171|1.749326|3.469876|7.608774|0.146278|8.976416|17.570642|8.794007|5.498049|0.139932|4.910623|4.058368|0.051876|0.053824|0.048203|0.055638|0.057804|0.068788|0.088140|0.073466|0.064255|0.077672|0.063107|0.086792|0.066399|0.065966|0.045580|0.050731|0.046823|0.045406|0.213617|0.214083|0.500000| |1.947225|2.210372|2.631565|2.751820|2.534414|4.103734|3.749116|5.068594|4.079066|3.719950|4.660022|0.115167|4.406170|3.506795|3.064328|2.541400|2.271413|2.324112|2.689242|3.181741|5.276598|0.105032|4.864400|10.802823|3.648075|1.837720|1.789277|3.517860|9.416571|0.213633|8.914418|17.542975|8.806968|6.734914|0.199950|5.693344|4.476945|0.052607|0.054314|0.049590|0.059094|0.061286|0.068036|0.087578|0.075640|0.066940|0.078285|0.063242|0.088198|0.066703|0.073079|0.047107|0.051510|0.048441|0.045936|0.173495|0.216242|0.303513|0.500000| |2.125728|2.350902|2.807493|3.254402|2.610461|4.083361|3.434178|4.326330|3.719365|3.618958|4.071388|0.114480|3.366464|2.881574|2.447173|2.141629|1.897245|1.863221|2.045891|2.369061|3.600875|0.069553|3.182853|6.190651|2.958923|1.541274|1.542185|3.041701|7.656352|0.135383|6.749520|8.842814|17.505512|8.845004|0.174065|6.765345|6.952367|0.056603|0.061602|0.053628|0.060301|0.066080|0.081795|0.107241|0.091910|0.065777|0.080007|0.067121|0.078909|0.058905|0.054491|0.039696|0.043264|0.041846|0.040352|0.198366|0.138968|0.215476|0.173281|0.500000| |1.877590|2.090285|2.427683|2.681858|2.258351|3.641663|3.100022|4.152145|3.574263|3.358131|3.533999|0.093666|3.088270|2.613948|2.292573|1.996044|1.802581|1.810731|2.015275|2.302260|3.587044|0.071398|3.134108|6.425448|2.904522|1.500202|1.480221|2.880112|6.652621|0.133014|5.510120|8.846321|17.576828|8.841802|0.215906|5.512711|6.797696|0.049964|0.053604|0.048137|0.054698|0.059300|0.067359|0.084546|0.076678|0.058474|0.068007|0.057810|0.069497|0.053931|0.054753|0.038906|0.042043|0.040274|0.038614|0.139127|0.123499|0.209271|0.215161|0.303436|0.500000| |3.044812|3.785388|4.784118|5.289038|3.833602|8.444121|7.778865|9.875120|7.894634|7.377348|7.021664|0.168974|4.672760|3.657097|2.935561|2.477415|2.145695|2.103750|2.353543|2.823966|4.427360|0.083362|4.214415|8.278252|3.281567|1.677957|1.710737|3.376202|12.340680|0.219280|5.631193|4.902919|5.517065|8.843532|0.216979|17.698586|6.985824|0.077512|0.085437|0.075690|0.095779|0.111201|0.114644|0.165480|0.161901|0.096327|0.111718|0.091285|0.098716|0.067713|0.062094|0.043232|0.045777|0.047644|0.044085|0.145870|0.126582|0.108020|0.127582|0.139328|0.123727|0.500000| |2.988388|3.494640|4.566082|5.760690|3.901344|6.825784|5.832927|6.552386|5.473580|5.548245|6.789623|0.198726|4.509544|3.701894|2.922699|2.508814|2.149924|2.069072|2.274151|2.722627|4.126242|0.076746|3.838174|7.169392|3.221826|1.669409|1.708155|3.412864|12.379459|0.180054|7.140425|5.814735|6.823839|8.769312|0.174008|17.590597|6.880037|0.077669|0.086789|0.072876|0.086278|0.098503|0.129386|0.212130|0.164273|0.093685|0.120087|0.095912|0.104255|0.069932|0.059301|0.042750|0.046116|0.046954|0.044362|0.219469|0.145746|0.130453|0.133170|0.199165|0.139335|0.300543|0.500000| |2.024544|2.269386|2.555166|2.885380|2.251861|3.839078|3.111787|4.275587|3.891003|3.678249|3.196434|0.084882|2.675223|2.288753|2.001858|1.767648|1.600352|1.597212|1.757786|1.991196|3.059766|0.060807|2.652102|5.345920|2.579819|1.340262|1.339689|2.584758|5.581936|0.111273|3.835729|4.524695|6.861377|8.825919|0.213596|5.526674|17.581392|0.052469|0.058399|0.052475|0.058570|0.066842|0.071889|0.087198|0.087897|0.058028|0.065334|0.057911|0.061968|0.048268|0.047754|0.035037|0.037119|0.036936|0.035073|0.102309|0.088720|0.107893|0.118575|0.173600|0.203599|0.142391|0.140454|0.500000| |2.406705|2.779379|3.132677|3.571647|2.626430|4.835684|3.853295|5.343303|4.970025|4.706598|3.694122|0.096890|2.947141|2.491248|2.139796|1.879146|1.684772|1.670572|1.839636|2.106644|3.237966|0.063546|2.852722|5.693711|2.679887|1.388647|1.401914|2.712767|6.262884|0.123261|3.854182|4.063202|5.459159|8.756390|0.213901|6.938197|17.561043|0.061071|0.069352|0.062157|0.070784|0.084174|0.085951|0.105503|0.114504|0.067214|0.074805|0.066631|0.067839|0.051506|0.049613|0.036255|0.038139|0.038952|0.036584|0.103266|0.089297|0.094684|0.107163|0.140966|0.139899|0.209272|0.169930|0.302308|0.500000| 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