Version2.1 2020-12-17T09:46:42Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 03-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)C[C@@H](c1nnc2n1CC[NH+](CC2)Cc3cc4ccccc4s3)NC(=O)c5ccco5 C11788136 RHF 6-31G(d) (6D,7F) CC(C)C[C@@H](c1nnc2n1CC[NH+](CC2)Cc3cc4ccccc4s3)NC(=O)c5ccco5 C01[X(C25H30N5O2S1)] 183 C1 559 CC(C[C@@H](c1nnc2n1CC[NH+](CC2)Cc1cc2c(s1)cccc2)NC(=O)c1ccco1)C CC(C[C@@H](c1nnc2n1CC[NH+](CC2)Cc1cc2c(s1)cccc2)NC(=O)c1ccco1)C CC(C)C[C@H](NC(=O)c1occc1)c2nnc3CC[NH+](CCn23)Cc4sc5ccccc5c4 InChIKey=YXZAPIPJPMDJPW-FQEVSTJZSA-O InChI=1S/C25H29N5O2S/c1-17(2)14-20(26-25(31)21-7-5-13-32-21)24-28-27-23-9-10-29(11-12-30(23)24)16-19-15-18-6-3-4-8-22(18)33-19/h3-8,13,15,17,20H,9-12,14,16H2,1-2H3,(H,26,31)/p+1/t20-/m0/s1 InChI=1/C25H29N5O2S/c1-17(2)14-20(26-25(31)21-7-5-13-32-21)24-28-27-23-9-10-29(11-12-30(23)24)16-19-15-18-6-3-4-8-22(18)33-19/h3-8,13,15,17,20H,9-12,14,16H2,1-2H3,(H,26,31)/p+1/t20-/m0/s1/fC25H30N5O2S/h26,29H/q+1 CC(C)C[C@@H](c1nnc2n1CC[NH+](CC2)Cc3cc4ccccc4s3)NC(=O)c5ccco5 C01[X(C25H30N5O2S1)] 183 C01 559 CC(C[C@@H](c1nnc2n1CC[NH+](CC2)Cc1cc2c(s1)cccc2)NC(=O)c1ccco1)C CC(C[C@@H]([C]1[N][N]=C2N1CC[NH](CC2)CC1=[CH][C]2[C]([CH][CH][CH][CH]2)S1)NC(=O)C1=[CH][CH]=CO1)C CC(C)C[C@H](NC(=O)c1occc1)[C]2[N]N=C3CC[NH](CCN23)CC4=C[C]5[CH][CH][CH][CH][C]5S4 InChIKey=RQBHDWOYJODUPN-FQEVSTJZSA-N InChI=1S/C25H30N5O2S/c1-17(2)14-20(26-25(31)21-7-5-13-32-21)24-28-27-23-9-10-29(11-12-30(23)24)16-19-15-18-6-3-4-8-22(18)33-19/h3-8,13,15,17,20,29H,9-12,14,16H2,1-2H3,(H,26,31)/t20-/m0/s1 InChI=1/C25H30N5O2S/c1-17(2)14-20(26-25(31)21-7-5-13-32-21)24-28-27-23-9-10-29(11-12-30(23)24)16-19-15-18-6-3-4-8-22(18)33-19/h3-8,13,15,17,20,29H,9-12,14,16H2,1-2H3,(H,26,31)/t20-/m0/s1/f/h26H 3437.4771782880 -1783.4366011 1-A 24578.8338 123 436 559 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|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|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| 10.9696 16.8415 28.8039 32.8365 34.5910 36.6546 45.1259 54.3927 62.2059 82.3097 92.7427 115.6547 123.7315 142.3838 166.1728 186.0318 191.1666 214.2798 221.5869 242.2010 249.4300 255.8279 257.3899 288.1196 296.5552 305.0906 308.8791 335.5722 351.5708 382.4916 390.5913 411.9970 421.4906 446.0451 452.3824 468.4646 486.0183 508.9196 515.9045 530.4363 546.9734 557.7785 576.2890 589.2970 597.9932 620.3898 627.6253 652.1169 674.7957 707.6582 713.9362 726.9356 747.6304 767.9127 771.3780 795.8763 804.4794 837.4167 845.9373 853.6640 860.4253 877.5238 880.8952 919.4951 936.4275 949.3164 970.1247 970.6777 983.3557 995.9559 996.9290 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MUNgauss RevisionA2.0 retrievium 17-Dec-2020 DUDE CC(C)C[C@@H](c1nnc2n1CC[NH+](CC2)Cc3cc4ccccc4s3)NC(=O)c5ccco5 C11788136 RHF 6-31G(d) (6D,10F) C1 464.212022 |X|Y|Z| 62.279834 35.149492 139.515280
67.343564 28 6 7 8 16 21 5 1 1
|36.858105| |12.426489|36.858105| |7.572351|12.433614|36.858105| |7.450881|12.397088|7.611245|36.858105| |6.050487|7.313855|4.863003|12.408007|36.858105| |6.781552|6.714869|4.478452|8.864818|17.650262|0.500000| |4.982664|6.084013|4.260870|7.543130|12.583297|0.248145|36.858105| |4.193190|5.448161|4.189282|6.414666|7.702148|0.159766|14.859467|53.358707| |3.494441|4.182659|3.388891|4.475343|5.283210|0.124337|8.900894|19.101197|53.358707| |3.540543|3.950625|3.121580|4.150464|5.252035|0.133053|8.865462|12.180463|20.279259|36.858105| |4.310412|4.665920|3.452522|5.083312|7.414662|0.195787|13.910784|11.951239|11.936596|13.969475|53.358707| |4.173305|4.052090|3.060790|4.274757|6.029678|0.191139|7.510852|7.252232|7.253642|7.537588|17.905154|36.858105| |3.135302|3.074893|2.470844|3.261725|4.295218|0.128879|5.154057|5.714089|6.163482|6.334591|10.538179|12.533607|36.858105| |2.783191|2.731465|2.255481|2.777098|3.411110|0.099759|4.142482|4.977560|5.724344|5.842160|8.018583|7.501826|12.622625|53.358707| |2.793907|2.662486|2.208084|2.649451|3.187449|0.095512|3.716925|4.437589|4.937944|4.788260|6.856201|6.729003|9.336085|25.710775|0.500000| |2.873191|2.901289|2.402774|2.871113|3.419906|0.096492|4.403983|5.599138|6.991044|7.470904|8.553259|6.495948|7.464233|17.144236|0.261359|36.858105| |2.889021|3.079618|2.551377|3.142479|3.778095|0.100821|5.272583|7.243652|10.578314|12.702683|10.172425|6.079779|6.428012|10.200251|0.158291|12.510795|36.858105| |2.291588|2.271249|1.932357|2.339989|2.807967|0.080699|3.293884|4.124877|4.727413|4.431205|5.810677|4.936365|7.668676|17.074414|0.259815|7.529392|5.781392|36.858105| |2.058336|2.023654|1.754859|2.039912|2.364402|0.067955|2.719355|3.481558|3.970066|3.552442|4.589393|3.790833|5.027453|10.383815|0.207855|6.131263|4.594483|12.769583|36.858105| |1.870213|1.862453|1.640519|1.869463|2.124833|0.060108|2.448394|3.226813|3.724533|3.219724|4.013987|3.145055|3.896953|7.330558|0.143153|5.167552|4.215788|7.512399|14.221481|36.858105| |1.716190|1.692579|1.509490|1.679597|1.874814|0.053313|2.115992|2.792488|3.158428|2.661885|3.383647|2.659536|3.145739|5.580277|0.116380|3.999004|3.306547|5.046853|8.182352|13.170522|36.858105| |1.554528|1.542647|1.394464|1.526283|1.678432|0.047363|1.882376|2.520822|2.840958|2.331538|2.942648|2.260592|2.587895|4.371687|0.090102|3.257217|2.836793|3.761454|5.181695|7.430010|13.621084|36.858105| |1.454645|1.432619|1.304901|1.409084|1.534556|0.043497|1.696554|2.265161|2.513531|2.041537|2.618046|2.021749|2.269131|3.728670|0.078517|2.754819|2.409147|3.091608|4.055049|5.046456|7.970301|13.865206|36.858105| |1.476249|1.436052|1.305420|1.407008|1.532730|0.043867|1.677515|2.213286|2.427136|1.982711|2.591140|2.038186|2.281362|3.729474|0.080785|2.686483|2.302521|3.041327|3.989499|4.533200|6.881994|7.902956|13.603983|36.858105| |1.608412|1.550677|1.395256|1.520381|1.672865|0.048316|1.830439|2.382947|2.607363|2.165479|2.865870|2.305979|2.622575|4.369355|0.097402|3.041347|2.521342|3.583117|4.910997|5.188792|7.831156|6.770571|7.874010|13.834991|36.858105| |1.749222|1.695754|1.508403|1.673529|1.868179|0.053895|2.075564|2.692697|2.987113|2.530215|3.318857|2.690118|3.168346|5.560696|0.123606|3.786778|3.039251|4.814680|7.626767|8.092414|13.661567|7.897225|6.920587|8.034439|13.697679|36.858105| |1.990531|1.906177|1.664202|1.894313|2.162402|0.063418|2.400022|3.030155|3.334486|2.913058|3.943765|3.369741|4.186411|7.668608|0.184450|4.575511|3.473037|6.755120|10.841101|7.361733|7.310327|4.836215|4.239924|4.706189|6.763393|10.873260|388.023441| |4.311356|4.961309|3.867601|7.844027|13.098513|0.258027|7.819276|8.248103|6.098130|4.384187|7.645375|4.866752|3.914802|4.192609|0.079135|2.995134|3.345677|2.659405|2.226488|2.010958|1.771844|1.593305|1.456521|1.450380|1.576606|1.757836|14.407775|53.358707| |3.551939|3.800780|3.072421|5.146377|7.754070|0.199917|6.137024|6.619321|5.461823|4.157963|7.192633|5.012801|4.343142|4.453635|0.083309|3.032832|3.335594|2.887583|2.367051|2.111691|1.846282|1.647650|1.501263|1.497482|1.636906|1.835916|15.252602|19.318063|36.858105| |3.508728|3.574702|2.850799|4.473516|6.795975|0.201347|6.007221|6.204566|5.448759|4.462393|8.110384|6.381548|5.652908|5.335190|0.099291|3.445884|3.668472|3.399974|2.706666|2.355300|2.039346|1.792649|1.626618|1.631357|1.804527|2.044448|17.427088|11.529629|15.690442|73.516695| |2.862904|3.066370|2.632374|3.990450|5.061238|0.130814|4.328687|5.199931|4.475353|3.310339|5.247702|3.682310|3.441743|3.722342|0.070023|2.544304|2.797748|2.529475|2.112932|1.914968|1.687850|1.522884|1.393074|1.385069|1.501506|1.670934|13.659881|10.870973|12.959021|14.482206|36.858105| |2.432740|2.542277|2.226219|3.130025|3.815236|0.102895|3.450968|4.235509|3.830797|2.883649|4.438295|3.236111|3.204454|3.521419|0.066510|2.359973|2.550841|2.475652|2.076736|1.883787|1.664882|1.503767|1.377749|1.370995|1.485701|1.650340|13.480821|7.041679|7.444688|11.393916|14.181836|36.858105| |2.167469|2.288976|2.067040|2.788061|3.198747|0.084846|2.911590|3.716760|3.372583|2.473592|3.689689|2.639181|2.603357|2.977269|0.056643|2.039689|2.212654|2.116891|1.817834|1.677193|1.498205|1.370185|1.262079|1.251915|1.344002|1.479194|11.861557|5.718877|5.189306|7.843907|8.594710|13.296346|36.858105| |2.305192|2.493609|2.276648|3.118342|3.475266|0.089273|3.091780|4.013893|3.541402|2.528928|3.765432|2.614643|2.499223|2.878236|0.054789|2.015299|2.213898|2.012871|1.738797|1.613948|1.445039|1.327272|1.223798|1.211544|1.296048|1.423060|11.336325|6.435890|5.366079|7.524522|8.808178|8.612488|14.184652|36.858105| |2.736959|3.017292|2.685959|3.979914|4.584106|0.113736|3.895519|4.951274|4.190371|2.971965|4.547958|3.090155|2.854289|3.216930|0.060941|2.264019|2.512417|2.195640|1.875150|1.727594|1.537319|1.403401|1.289661|1.277944|1.373118|1.515386|12.170891|9.575455|7.843181|9.584401|14.094785|8.608503|8.618947|14.232947|73.516695| |17.559969|8.791939|7.013220|5.451997|4.589511|0.138492|4.126933|4.969637|4.329480|3.222270|5.100837|3.664305|2.848933|3.566251|0.074028|2.746677|2.716471|2.170600|1.987747|1.820062|1.688893|1.538395|1.448604|1.473928|1.600800|1.726863|13.822210|4.739531|2.970486|5.277065|2.465848|2.141116|1.930138|2.039968|4.217535|0.500000| |17.525795|8.683965|5.475689|6.642267|6.592539|0.232003|5.561748|5.953363|5.066771|3.961941|6.941710|5.246927|3.724279|4.404568|0.091065|3.282297|3.219568|2.591197|2.299543|2.055453|1.873362|1.676686|1.562574|1.592462|1.752981|1.922093|15.855080|6.179270|3.866440|7.098370|3.019719|2.575881|2.246431|2.349082|4.967346|0.303049|0.500000| |17.531732|8.755971|6.776152|6.802677|5.481963|0.174086|4.255295|4.923489|4.122477|3.061444|5.032595|3.675740|2.860861|3.427464|0.070377|2.539043|2.549245|2.117545|1.906491|1.733260|1.598806|1.452787|1.366060|1.390404|1.513117|1.635722|13.224568|5.757691|3.518488|6.089400|2.891707|2.463066|2.209513|2.357669|4.958118|0.301942|0.301603|0.500000| |8.893563|17.531726|8.951697|8.892490|6.746116|0.167852|6.855685|8.839290|6.853144|4.658004|7.235018|4.360210|3.275997|4.046184|0.079879|3.279121|3.535876|2.435142|2.170898|2.006183|1.813143|1.650749|1.524324|1.520347|1.639956|1.803795|14.363765|6.229487|3.616091|6.184919|2.916480|2.444908|2.194928|2.368395|5.048191|0.211670|0.212563|0.173258|0.500000| |6.838411|8.761222|17.530670|6.871878|4.490253|0.117919|3.741824|4.897795|4.010183|2.758315|4.192388|2.812140|2.304703|2.842037|0.057027|2.179887|2.292961|1.809596|1.645646|1.535959|1.419262|1.312824|1.233647|1.238217|1.323534|1.424472|11.187370|5.125688|3.015794|4.925381|2.630766|2.230274|2.089408|2.314370|4.830576|0.172386|0.138843|0.200121|0.173839|0.500000| |5.491624|8.760528|17.559194|6.964150|4.571694|0.111699|4.182698|5.973829|4.789318|3.119674|4.544253|2.878374|2.368415|2.960299|0.058493|2.340208|2.543446|1.884048|1.710577|1.613018|1.480043|1.374287|1.282311|1.274341|1.354362|1.466102|11.410150|5.161634|3.000589|4.872463|2.618867|2.211078|2.078028|2.315536|4.847627|0.142355|0.122239|0.138865|0.214222|0.301238|0.500000| |6.935615|8.778690|17.559652|5.509244|4.010006|0.106437|3.704663|4.990952|4.243367|2.912334|4.297748|2.853652|2.331765|2.960132|0.059754|2.338491|2.442318|1.864800|1.716526|1.612037|1.495796|1.387245|1.304470|1.307604|1.394384|1.498751|11.675120|4.408080|2.675964|4.519324|2.315509|1.997713|1.858770|2.020010|4.158298|0.211793|0.141797|0.167920|0.214142|0.301774|0.301888|0.500000| |5.475834|8.866741|7.153143|17.564146|8.917497|0.174796|6.962500|9.574510|6.410219|4.084982|6.347240|3.771175|3.004645|3.548194|0.068286|2.740398|3.092531|2.236862|1.957271|1.816777|1.629787|1.491955|1.374224|1.362165|1.460938|1.607519|12.777921|9.726286|4.767448|7.169007|3.908109|3.065364|2.799354|3.204653|7.269027|0.123224|0.137176|0.140329|0.213476|0.175183|0.216685|0.144330|0.500000| |6.843276|8.845775|6.911372|17.527495|8.963707|0.214834|5.544456|6.522039|4.909192|3.426317|5.633521|3.724619|2.942671|3.408645|0.067069|2.530537|2.713708|2.148648|1.886241|1.728498|1.565388|1.426782|1.325433|1.329053|1.435358|1.569034|12.619565|10.073461|5.033509|7.614429|4.067126|3.190885|2.879272|3.258025|7.388605|0.140723|0.165262|0.204505|0.174202|0.204993|0.170522|0.140882|0.302206|0.500000| |4.403534|4.166383|3.126267|4.617018|6.938713|0.248017|7.161652|6.690256|6.184830|5.722340|12.651160|17.732955|9.116068|7.637402|0.146590|4.780387|4.635916|4.170451|3.282985|2.755669|2.376313|2.043850|1.850127|1.875967|2.114697|2.425777|21.452719|7.820523|6.186254|15.385507|4.268388|3.685523|2.923315|2.882569|6.155359|0.103730|0.155877|0.111689|0.117828|0.081616|0.080766|0.079626|0.109541|0.115370|0.500000| |4.509582|4.135251|3.121052|4.045180|5.217382|0.169849|6.148841|6.339338|6.398005|6.323788|12.364220|17.543837|8.798293|9.662855|0.201583|6.553435|5.488276|4.583018|3.756357|3.120196|2.701452|2.294387|2.072419|2.112352|2.406323|2.784184|24.863147|5.573283|4.055638|8.654306|3.114153|2.773734|2.322669|2.314551|4.792078|0.113317|0.164122|0.107531|0.125258|0.079112|0.080013|0.082785|0.097930|0.098491|0.301600|0.500000| |2.889561|2.930611|2.387852|3.211889|4.265295|0.121840|5.204942|5.968646|6.526664|6.545308|10.076935|8.871073|17.653577|12.277016|0.182366|6.437405|6.598320|7.343625|4.692158|3.794033|3.012598|2.515805|2.188082|2.165469|2.446573|2.945986|26.525665|5.604099|4.746451|10.964549|3.821938|3.588805|2.874935|2.733328|5.543075|0.072549|0.092594|0.074027|0.086402|0.062059|0.064618|0.061988|0.084208|0.080574|0.207583|0.174070|0.500000| |2.957961|2.820264|2.299060|2.989552|3.856532|0.119580|4.256943|4.762743|4.949284|4.687469|7.726309|8.882398|17.632344|12.447074|0.236890|5.579570|4.744897|6.972544|4.838381|3.678053|3.056475|2.507059|2.230338|2.280890|2.657056|3.179756|31.023933|4.928684|4.137109|9.825323|3.358409|3.220024|2.597542|2.448751|4.899314|0.074917|0.097629|0.076726|0.081394|0.060521|0.060754|0.060464|0.075844|0.077051|0.230428|0.202415|0.302339|0.500000| |2.511725|2.529537|2.153241|2.484540|2.869938|0.080697|3.554851|4.669190|5.758620|5.509207|6.336752|4.786504|5.567772|12.447422|0.219596|17.666996|8.815309|7.440217|7.280949|6.603763|4.933846|3.926680|3.216383|3.078182|3.473575|4.460880|36.234607|3.495783|2.606619|5.182863|2.249413|2.119078|1.858991|1.831193|3.601633|0.067783|0.078186|0.062366|0.078742|0.054575|0.058560|0.058815|0.066567|0.061673|0.105442|0.136525|0.140259|0.127269|0.500000| |3.237156|3.205449|2.618216|3.057483|3.581701|0.102790|4.571519|5.695422|6.831274|7.039959|8.761881|6.806979|6.555746|12.358409|0.241144|17.636965|8.821563|5.622303|4.965063|4.262936|3.558707|2.967340|2.588764|2.571033|2.911874|3.503378|29.858442|4.107714|2.978109|5.963760|2.468698|2.262946|1.963662|1.958449|3.937131|0.087120|0.104316|0.077827|0.102341|0.065337|0.069859|0.071594|0.079764|0.074298|0.137421|0.219900|0.149091|0.143312|0.303349|0.500000| |2.711318|2.928655|2.490184|2.922044|3.347270|0.088288|4.536485|6.681331|10.019944|9.121362|7.773266|4.672532|4.735139|7.559373|0.128240|8.988906|17.604020|4.676330|4.087393|4.000512|3.227044|2.853704|2.423305|2.282067|2.449370|2.909230|22.500524|4.042400|2.898661|5.497397|2.490754|2.277986|2.019036|2.039048|4.075707|0.072131|0.081989|0.066345|0.094625|0.061724|0.069791|0.067030|0.081346|0.070176|0.104413|0.123859|0.133599|0.104506|0.223609|0.205949|0.500000| |2.575647|2.744864|2.314164|2.880897|3.481038|0.092472|4.652043|6.433398|8.874159|8.942192|8.399344|5.293282|6.235008|9.534456|0.144120|8.809592|17.541497|6.368720|4.802706|4.469880|3.384674|2.902334|2.430710|2.297445|2.503564|3.043577|24.606416|4.418484|3.347496|6.561460|2.880412|2.676182|2.318014|2.290339|4.564847|0.066927|0.078971|0.064475|0.085191|0.058626|0.064529|0.061138|0.079607|0.070361|0.118748|0.127514|0.200767|0.130981|0.204556|0.173305|0.305761|0.500000| |2.216285|2.246864|1.922701|2.344363|2.811989|0.078816|3.363814|4.332796|5.102555|4.729635|5.856263|4.593659|6.722636|12.300949|0.182443|7.104593|6.477589|17.650286|8.922618|7.067574|4.638598|3.637089|2.945675|2.808817|3.179529|4.139373|36.211248|3.681682|2.938363|6.035461|2.606150|2.552452|2.194019|2.089330|4.041759|0.058086|0.068698|0.056885|0.067211|0.049891|0.052670|0.051275|0.063229|0.059497|0.108644|0.114516|0.207785|0.160028|0.196011|0.142762|0.144729|0.227887|0.500000| |2.237945|2.196443|1.871284|2.292332|2.771701|0.080709|3.142393|3.866599|4.272335|3.902100|5.403162|4.767504|7.633381|12.390299|0.217344|5.578120|4.636261|17.611661|8.899690|5.802413|4.340568|3.335420|2.831833|2.842758|3.367635|4.361203|45.054850|3.650111|2.991881|6.401539|2.644730|2.640589|2.231237|2.086671|4.018136|0.058473|0.070432|0.058234|0.064316|0.049184|0.050489|0.049921|0.060501|0.059260|0.118187|0.120606|0.207338|0.226349|0.147260|0.127026|0.105981|0.141590|0.301827|0.500000| |1.834027|1.854910|1.640487|1.874544|2.126604|0.059296|2.478896|3.330737|3.912943|3.336572|4.030108|3.044984|3.723274|6.718310|0.124343|5.044170|4.477673|6.682961|8.933530|17.716137|8.568049|6.542540|4.471222|3.847984|4.127085|5.658162|37.345403|2.758423|2.122416|4.161200|1.937716|1.904043|1.704395|1.645006|3.125284|0.049429|0.055557|0.047166|0.055725|0.042557|0.045182|0.044634|0.051134|0.047958|0.074133|0.082354|0.104705|0.095172|0.177530|0.113076|0.121061|0.137803|0.205070|0.144165|0.500000| |1.514605|1.518712|1.378558|1.508106|1.653557|0.046248|1.864474|2.527797|2.870993|2.328788|2.894384|2.181032|2.481337|4.132437|0.083050|3.153459|2.848456|3.546814|4.603556|6.683196|8.855935|17.719797|8.931767|5.621787|4.898792|5.620461|28.493340|2.145752|1.626176|3.121454|1.510806|1.491176|1.365534|1.326008|2.487569|0.041567|0.045124|0.039298|0.045252|0.035996|0.037970|0.038035|0.041245|0.039083|0.054789|0.060880|0.068151|0.065957|0.105325|0.079040|0.080989|0.082015|0.099300|0.086931|0.189873|0.500000| |1.359259|1.344003|1.233755|1.321201|1.427808|0.040298|1.572495|2.114468|2.338643|1.874606|2.398567|1.832063|2.029293|3.267489|0.068212|2.441891|2.186421|2.670075|3.344795|4.075036|5.656451|8.966964|17.736332|8.889306|5.631910|4.978336|24.336371|1.850381|1.396079|2.668117|1.303311|1.289690|1.189572|1.156349|2.158780|0.037684|0.040284|0.035540|0.039669|0.032441|0.033783|0.034316|0.035942|0.034591|0.046848|0.052033|0.054770|0.055280|0.078109|0.064179|0.061716|0.061333|0.071911|0.068497|0.105706|0.215326|0.500000| |1.390506|1.348949|1.234496|1.318170|1.425192|0.040816|1.546085|2.041719|2.219674|1.796277|2.362463|1.853561|2.044603|3.268287|0.070854|2.359469|2.050506|2.613565|3.280385|3.610677|4.957889|5.643594|8.888894|17.731499|8.977333|5.688195|27.468776|1.838453|1.390719|2.679665|1.291837|1.279981|1.174720|1.138347|2.128465|0.038711|0.041465|0.036527|0.039509|0.032629|0.033453|0.034445|0.035454|0.034737|0.047810|0.053485|0.053968|0.057051|0.073702|0.063565|0.056618|0.056634|0.067490|0.068846|0.087937|0.124038|0.215482|0.500000| |1.605402|1.531980|1.379645|1.497805|1.643849|0.047835|1.777637|2.296408|2.482212|2.057705|2.768250|2.253724|2.535213|4.127602|0.093771|2.827575|2.346531|3.292207|4.277240|4.226858|5.589521|4.900031|5.609495|8.913541|17.735897|8.846704|44.570398|2.106946|1.607774|3.156034|1.474298|1.460282|1.320593|1.272331|2.395291|0.044493|0.048674|0.042140|0.044738|0.036498|0.037018|0.038366|0.039773|0.039480|0.058003|0.065869|0.065074|0.072534|0.087229|0.076659|0.062882|0.064268|0.080374|0.088222|0.095971|0.106627|0.123888|0.215485|0.500000| |3.927767|4.703441|3.910537|7.548746|9.008513|0.183923|6.282095|7.612283|5.627146|3.855632|6.239324|3.933448|3.294293|3.671528|0.069551|2.668687|3.008264|2.378974|2.024799|1.855399|1.645967|1.494958|1.370868|1.360224|1.467082|1.625143|13.119555|26.031496|9.443021|10.860236|7.606406|4.954506|4.334650|5.265626|14.781106|0.089905|0.109647|0.108722|0.119247|0.107431|0.110170|0.089652|0.218620|0.209112|0.123045|0.095077|0.096826|0.085085|0.064704|0.074515|0.076033|0.081704|0.067803|0.066341|0.052265|0.041291|0.035737|0.035310|0.039968|0.500000| |2.344536|2.400854|2.090237|2.875816|3.541087|0.098593|3.287012|3.986568|3.700659|2.861968|4.413586|3.343625|3.443408|3.743041|0.070764|2.441521|2.591536|2.672382|2.221421|1.993784|1.756722|1.575670|1.441770|1.439511|1.569094|1.749625|14.453487|6.128158|6.471334|11.628851|8.846824|17.817514|8.448404|5.857076|10.445110|0.057741|0.069975|0.065640|0.064692|0.057896|0.057204|0.052698|0.077113|0.080639|0.106105|0.079306|0.107778|0.098831|0.061019|0.064509|0.063675|0.076178|0.076002|0.080978|0.055644|0.043218|0.037343|0.037253|0.042903|0.115213|0.500000| |1.938249|2.029054|1.854004|2.411453|2.716994|0.072900|2.517793|3.246981|3.002485|2.209547|3.247409|2.346692|2.354276|2.742121|0.052437|1.875624|2.017143|1.980793|1.719821|1.595899|1.434070|1.317757|1.217709|1.207754|1.292390|1.415996|11.279632|4.632044|4.065964|6.484776|5.851892|8.462022|17.812181|8.819221|10.449820|0.048503|0.055709|0.054911|0.054301|0.052114|0.051779|0.046784|0.067274|0.069068|0.071316|0.058068|0.071859|0.065814|0.047997|0.050039|0.051487|0.058958|0.057009|0.058220|0.045054|0.036512|0.031965|0.031558|0.035300|0.096928|0.192778|0.500000| |2.163388|2.357881|2.205350|2.910502|3.108243|0.079448|2.787146|3.702629|3.275775|2.305991|3.378166|2.328388|2.218552|2.605768|0.049838|1.848032|2.030703|1.826809|1.598445|1.496865|1.349076|1.248014|1.154753|1.141364|1.214446|1.326215|10.458920|5.509368|4.282877|6.181905|6.045410|5.822357|8.611429|17.835711|16.538715|0.053646|0.060382|0.061641|0.062120|0.062666|0.062951|0.054449|0.084583|0.084987|0.070306|0.058115|0.066753|0.060185|0.047003|0.050095|0.052644|0.058101|0.052705|0.052216|0.042471|0.034723|0.030433|0.029881|0.033115|0.128765|0.123145|0.195303|0.500000|
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