Version2.1 2020-12-28T04:16:24Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 23-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCS(=O)(=O)Oc1cccc(c1)c2c(n3ccc(cc3[nH+]2)C)NC(C)(C)CC(C)(C)C C35191192 RHF 6-31G(d) (6D,7F) CCCCS(=O)(=O)Oc1cccc(c1)c2c(n3ccc(cc3[nH+]2)C)NC(C)(C)CC(C)(C)C C01[X(C26H38N3O3S1)] 207 C1 575 CCCCS(=O)(=O)Oc1cccc(c1)c1[nH+]c2n(c1NC(CC(C)(C)C)(C)C)ccc(c2)C CCCCS(=O)(=O)Oc1cccc(c1)c1[nH+]c2n(c1NC(CC(C)(C)C)(C)C)ccc(c2)C CCCC[S](=O)(=O)Oc1cccc(c1)c2[nH+]c3cc(C)ccn3c2NC(C)(C)CC(C)(C)C InChIKey=VABFTOGMCTVRIN-UHFFFAOYSA-O InChI=1S/C26H37N3O3S/c1-8-9-15-33(30,31)32-21-12-10-11-20(17-21)23-24(28-26(6,7)18-25(3,4)5)29-14-13-19(2)16-22(29)27-23/h10-14,16-17,28H,8-9,15,18H2,1-7H3/p+1 InChI=1/C26H37N3O3S/c1-8-9-15-33(30,31)32-21-12-10-11-20(17-21)23-24(28-26(6,7)18-25(3,4)5)29-14-13-19(2)16-22(29)27-23/h10-14,16-17,28H,8-9,15,18H2,1-7H3/p+1/fC26H38N3O3S/h27H/q+1 CCCCS(=O)(=O)Oc1cccc(c1)c2c(n3ccc(cc3[nH+]2)C)NC(C)(C)CC(C)(C)C C01[X(C26H38N3O3S1)] 207 C01 575 CCCCS(=O)(=O)Oc1cccc(c1)c1[nH+]c2n(c1NC(CC(C)(C)C)(C)C)ccc(c2)C CCCCS(=O)(=O)O[C]1[CH][CH][CH][C]([CH]1)C1=C(NC(CC(C)(C)C)(C)C)[N]2[C]([CH]=[C]([CH]=C2)C)N1 CCCC[S](=O)(=O)O[C]1[CH][CH][CH][C]([CH]1)C2=C(NC(C)(C)CC(C)(C)C)N3C=CC(=C[C]3N2)C InChIKey=YHUFWYMXGVTMLE-UHFFFAOYSA-N InChI=1S/C26H38N3O3S/c1-8-9-15-33(30,31)32-21-12-10-11-20(17-21)23-24(28-26(6,7)18-25(3,4)5)29-14-13-19(2)16-22(29)27-23/h10-14,16-17,27-28H,8-9,15,18H2,1-7H3 InChI=1/C26H38N3O3S/c1-8-9-15-33(30,31)32-21-12-10-11-20(17-21)23-24(28-26(6,7)18-25(3,4)5)29-14-13-19(2)16-22(29)27-23/h10-14,16-17,27-28H,8-9,15,18H2,1-7H3 3719.1607675600 -1791.8950537 1-A 22015.5043 127 448 575 |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| -92.30547 -20.72159 -20.64530 -20.64261 -15.80314 -15.77187 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5537.57 5556.32 0.654952 0.687827 0.688771 0.587889 -1791.240102 -1791.207227 -1791.206283 -1791.307165 3.383599D-04 MUNgauss RevisionA2.0 retrievium 28-Dec-2020 DUDE CCCCS(=O)(=O)Oc1cccc(c1)c2c(n3ccc(cc3[nH+]2)C)NC(C)(C)CC(C)(C)C C35191192 RHF 6-31G(d) (6D,10F) C1 472.263389 |X|Y|Z| 74.235250 38.464544 122.576748 70.473572 15 6 7 13 2 |36.858105| |12.469653|36.858105| |7.502679|12.441419|36.858105| |4.894102|7.549360|12.430998|36.858105| |3.617806|4.636831|6.984794|10.760266|388.023441| |3.397435|4.115516|5.906733|7.210196|94.774804|73.516695| |3.399982|4.118069|5.909989|7.206300|95.177513|13.776061|73.516695| |2.963940|3.757906|4.821415|7.471362|84.042246|13.790160|13.769160|73.516695| |2.469783|2.973887|3.667661|4.905214|52.798515|11.104146|11.256271|24.495773|36.858105| |2.239782|2.646135|3.159627|4.023852|38.716487|7.994677|9.826035|14.221372|13.796146|36.858105| |1.941222|2.231069|2.605248|3.144262|28.915208|6.526014|7.453906|9.300245|8.002085|13.757248|36.858105| |1.840399|2.091210|2.438304|2.886035|26.600737|6.487293|6.583795|8.190007|6.920783|7.922945|13.751306|36.858105| |1.963791|2.244873|2.653182|3.168749|30.102602|7.851697|6.965572|9.280003|7.978597|6.846766|7.927513|13.712979|36.858105| |2.274895|2.670419|3.246942|4.079750|41.735874|10.928670|8.767619|14.213948|13.815617|7.904526|6.870175|7.924416|13.710942|36.858105| |1.808669|2.027333|2.359952|2.714265|24.611453|6.817576|5.683232|6.985379|5.106946|4.476511|5.063139|7.631542|12.908328|7.720943|36.858105| |1.613497|1.788547|2.034557|2.302000|19.872975|5.408612|4.643237|5.591013|3.875860|3.588023|4.131348|5.849580|7.334693|5.164433|14.115486|36.858105| |1.557559|1.702342|1.929582|2.130682|18.158006|5.076138|4.258282|4.875927|3.223147|2.955775|3.274611|4.274249|5.193304|4.147467|8.645701|13.355235|53.358707| |1.410381|1.524957|1.703104|1.853656|15.371250|4.244038|3.640356|4.080601|2.624222|2.459104|2.709704|3.372108|3.822636|3.203617|5.379548|7.540353|18.987532|36.858105| |1.373765|1.469541|1.635470|1.750903|14.375293|4.010362|3.416093|3.721032|2.337051|2.180642|2.353209|2.831180|3.190296|2.796876|4.231172|5.129910|11.063768|14.161964|36.858105| |1.465336|1.559950|1.749836|1.853805|15.330920|4.379251|3.633828|3.871078|2.402191|2.203404|2.331831|2.772660|3.193575|2.886062|4.184368|4.572930|9.407993|7.888187|13.317950|36.858105| |1.630147|1.748805|1.995306|2.127790|18.068656|5.299961|4.246087|4.525014|2.834666|2.540742|2.666820|3.217968|3.873238|3.515165|5.272904|5.283643|10.808519|6.859972|7.925636|13.979393|36.858105| |1.687379|1.840023|2.116369|2.317046|20.155046|5.858988|4.698830|5.230443|3.413861|3.032601|3.251695|4.145239|5.287802|4.478915|8.539567|8.416852|19.347375|8.105999|7.019738|8.022974|13.561911|36.858105| |1.868819|2.069699|2.432509|2.723466|24.857025|7.344647|5.723819|6.532870|4.448706|3.794256|4.031173|5.328184|7.738753|6.380211|13.713455|8.606011|12.078156|5.532865|4.740948|5.206077|7.652181|14.326635|53.358707| |2.033378|2.253869|2.704794|3.009992|28.476517|8.847345|6.530821|7.125781|4.748063|3.923054|3.991651|4.980142|7.059778|6.699745|8.987221|6.011724|8.339554|4.376980|3.998830|4.584882|6.710200|9.195573|25.991232|0.500000| |1.391548|1.461905|1.624301|1.690606|13.713859|3.901707|3.272212|3.402423|2.064771|1.906342|1.990843|2.295543|2.583075|2.406137|3.175182|3.360077|6.087956|5.047618|7.522535|12.666103|7.595931|5.040000|5.200270|0.099612|36.858105| |1.489053|1.648315|1.845207|2.088133|17.518639|4.613084|4.137080|5.010723|3.429409|3.331728|3.934448|5.342382|5.727576|4.236469|7.589598|13.845071|10.652950|6.350696|4.392370|3.717816|3.961029|5.359816|7.247204|0.117361|2.883623|53.358707| |1.415643|1.566095|1.724633|1.948656|15.819892|4.138607|3.692025|4.546149|2.993892|2.895092|3.275999|4.065876|4.336053|3.560170|5.169973|7.346428|7.616638|5.227317|3.863552|3.243534|3.326173|4.158399|5.506502|0.093838|2.613569|17.296216|36.858105| |1.449567|1.601333|1.757059|1.975183|15.845166|4.242675|3.623074|4.490872|2.868897|2.665422|2.878066|3.477643|3.959597|3.464823|4.869388|6.507618|7.809054|5.477914|4.184249|3.536789|3.596607|4.392263|5.607341|0.095847|2.841717|10.430061|12.463793|36.858105| |1.273766|1.392856|1.520423|1.689659|13.539716|3.525364|3.214606|3.797965|2.451192|2.420263|2.739769|3.282164|3.349558|2.814940|3.907290|5.266284|6.335879|4.962869|3.787845|3.058196|2.984000|3.521786|4.480105|0.078213|2.527621|10.702086|12.368005|7.641498|36.858105| |1.421931|1.585520|1.732397|1.981943|15.853125|4.030574|3.701452|4.687279|3.081070|3.061419|3.463487|4.088074|4.123040|3.499283|4.331134|5.232279|5.465615|3.687980|2.945289|2.596114|2.703498|3.288202|4.607056|0.081999|2.169698|10.249271|12.177125|7.312829|7.710575|36.858105| |1.526515|1.724058|1.873420|2.181584|17.152970|4.306915|3.920946|5.234260|3.378398|3.293635|3.544634|3.968288|4.113331|3.749925|4.029628|4.388855|4.702287|3.096372|2.574121|2.357681|2.503582|3.007800|4.365047|0.079941|2.001958|7.219346|6.843151|5.920912|4.843405|12.243803|36.858105| |1.482562|1.665651|1.784170|2.052515|15.698376|3.997055|3.548769|4.666978|2.875726|2.728878|2.826871|3.102922|3.322787|3.178594|3.373626|3.669134|4.230678|2.878719|2.459529|2.260590|2.363867|2.751776|3.884208|0.071976|1.950527|5.696605|5.546079|5.874770|4.291479|7.395161|12.373169|36.858105| |1.464313|1.652572|1.775831|2.064422|15.935835|3.891628|3.710802|4.866351|3.091979|3.165697|3.409158|3.576635|3.468474|3.223210|3.246885|3.421366|3.791140|2.546244|2.171272|2.007648|2.118763|2.484949|3.617485|0.067918|1.740018|5.517550|4.779586|4.077689|3.925096|7.731577|12.356002|7.678472|36.858105| |1.735235|1.993336|2.203435|2.640413|21.255769|5.316981|4.735442|6.836972|4.562235|4.252403|4.428292|4.983244|5.494539|5.202773|4.961054|4.901676|5.058113|3.146933|2.629264|2.483200|2.733485|3.365320|5.177553|0.095713|2.090301|7.212724|5.702534|5.293114|3.992014|7.375295|12.448639|7.595846|7.665691|36.858105| |17.549887|8.777135|6.800323|4.516768|25.057387|5.789871|6.198634|5.079555|2.414736|2.225043|1.935244|1.823784|1.925669|2.210094|1.768529|1.576764|2.072489|1.380194|1.345421|1.435335|1.595753|1.650022|2.488058|0.055360|1.365039|1.982176|1.376504|1.399019|1.243867|1.381457|1.472372|1.419803|1.418214|1.668124|0.500000| |17.547444|8.775949|6.798809|4.516084|25.041034|6.190851|5.791758|5.078037|2.410235|2.161221|1.891196|1.818377|1.961255|2.267846|1.829911|1.633084|2.166470|1.443005|1.414697|1.520733|1.694935|1.738003|2.607763|0.058191|1.451888|2.038065|1.422362|1.466994|1.280487|1.416323|1.513700|1.476969|1.439470|1.718010|0.301481|0.500000| |17.568326|8.799751|5.472144|4.067703|21.876176|5.152098|5.155669|4.682913|2.225522|2.041286|1.785496|1.694066|1.796932|2.058872|1.663594|1.499415|1.971038|1.320425|1.287100|1.365588|1.506156|1.556144|2.325256|0.051120|1.301551|1.898798|1.336732|1.370035|1.208306|1.348175|1.450258|1.417733|1.399184|1.634063|0.301821|0.301800|0.500000| |8.858897|17.525201|8.851092|6.953584|30.856856|6.531027|7.127314|6.575525|2.933128|2.676269|2.244058|2.069318|2.184133|2.577370|1.952256|1.730237|2.223037|1.466383|1.406011|1.479925|1.650040|1.747075|2.673143|0.058877|1.383710|2.192156|1.534138|1.555220|1.367519|1.568942|1.712088|1.646546|1.662055|1.973548|0.210843|0.172961|0.213137|0.500000| |8.857229|17.522351|8.848832|6.952691|30.829493|7.119598|6.531329|6.573024|2.925375|2.568175|2.176745|2.061594|2.236230|2.669804|2.035270|1.805014|2.339452|1.541872|1.485091|1.573391|1.759619|1.851816|2.822282|0.062295|1.473747|2.268030|1.598017|1.649628|1.416342|1.620306|1.777690|1.737068|1.696427|2.057223|0.172956|0.210777|0.213103|0.303567|0.500000| |6.867909|8.832029|17.560580|8.855612|46.651255|11.736723|9.537021|7.955085|3.529133|2.982296|2.510795|2.409358|2.674094|3.268342|2.429530|2.089768|2.735283|1.771943|1.715275|1.857326|2.132613|2.236260|3.488863|0.080169|1.731301|2.549760|1.746941|1.798610|1.539692|1.732010|1.860597|1.783533|1.741110|2.183792|0.168951|0.203740|0.140448|0.173537|0.211584|0.500000| |6.867817|8.832939|17.563265|8.858044|46.739922|9.538938|11.759741|7.959803|3.542824|3.156012|2.616039|2.421715|2.586026|3.102495|2.291417|1.975754|2.553532|1.659618|1.596167|1.708203|1.944934|2.058002|3.217342|0.073226|1.589682|2.443048|1.664234|1.677861|1.477390|1.669565|1.785644|1.685777|1.703993|2.084288|0.203780|0.168900|0.140458|0.211693|0.173524|0.302700|0.500000| |4.513609|6.806580|8.737162|17.606817|58.463310|9.672569|12.019681|12.693052|4.782046|4.175966|3.207548|2.850129|3.026246|3.801018|2.556352|2.192220|2.733574|1.757823|1.651839|1.729357|1.964165|2.148749|3.414319|0.075722|1.577328|2.752357|1.895415|1.896920|1.650777|1.957328|2.165317|2.022543|2.090134|2.606404|0.119199|0.110810|0.108243|0.205638|0.169965|0.172815|0.210936|0.500000| |4.510016|6.797332|8.731813|17.606435|58.395460|12.033972|9.668957|12.695820|4.753907|3.796970|3.019886|2.831911|3.174065|4.126567|2.756385|2.354116|2.963941|1.895167|1.786964|1.886932|2.161027|2.357489|3.750086|0.083618|1.717351|2.910713|2.022540|2.079665|1.740623|2.062011|2.305454|2.200780|2.161265|2.812903|0.110755|0.119116|0.108150|0.169725|0.205274|0.210879|0.172794|0.300137|0.500000| |2.316256|2.754662|3.252599|4.155151|37.436877|7.287346|10.080705|13.036177|8.955648|17.755420|8.861690|5.628315|4.941682|5.646284|3.575853|2.988329|3.449413|2.160591|1.943174|1.966077|2.236158|2.598769|4.283146|0.090922|1.729176|3.852775|2.526491|2.343122|2.160681|2.700288|2.925411|2.476638|2.907438|3.638055|0.064401|0.061130|0.058793|0.079163|0.073352|0.082896|0.091610|0.126535|0.106052|0.500000| |1.811921|2.059649|2.363812|2.790582|24.537290|5.512343|6.523210|7.510953|5.677610|8.937815|17.739355|8.927402|5.643987|4.952278|4.117339|3.577044|3.958679|2.480189|2.170140|2.132398|2.390471|2.848841|4.609899|0.092730|1.843141|4.827959|3.012171|2.610552|2.604187|3.234645|3.253695|2.609059|3.266665|3.835452|0.050515|0.048812|0.046614|0.058105|0.055575|0.062889|0.066641|0.080385|0.074035|0.213633|0.500000| |1.673189|1.874014|2.153187|2.485971|22.127730|5.475555|5.556779|6.501910|4.978818|5.647768|8.937018|17.732896|8.889608|5.635985|7.010298|6.169136|6.083274|3.598805|2.968404|2.834252|3.213000|4.126245|6.762983|0.124434|2.334842|8.227617|4.353592|3.538813|3.618123|4.285733|3.875672|3.015401|3.525611|4.496985|0.046198|0.046043|0.043045|0.051555|0.051343|0.059358|0.059686|0.068338|0.067885|0.123956|0.215922|0.500000| |2.386068|2.804787|3.426228|4.269573|42.610732|12.841056|8.284376|13.068476|8.987195|5.652341|4.954380|5.624358|8.838984|17.759585|7.073533|4.920800|5.714776|3.247084|2.886604|3.044331|3.775174|4.730397|9.137962|0.204389|2.542562|5.370043|3.424748|3.520496|2.715609|3.285342|3.553766|3.160078|2.996299|4.835577|0.063561|0.066989|0.059776|0.073671|0.079128|0.098677|0.088627|0.105809|0.124657|0.124780|0.107577|0.123542|0.500000| |1.337652|1.447590|1.604197|1.751774|14.368919|3.893348|3.418040|3.865148|2.488465|2.375530|2.649128|3.274481|3.575365|2.978541|4.777864|6.940017|12.536968|17.854486|8.911858|5.584079|4.959166|5.801866|6.161577|0.102331|4.081215|9.642294|6.170568|6.056771|6.493824|4.117988|3.287236|3.040177|2.703721|3.201327|0.036379|0.037833|0.034943|0.038907|0.040689|0.045995|0.043458|0.046569|0.049785|0.058300|0.068297|0.099192|0.082408|0.500000| |1.277905|1.359457|1.499103|1.595208|12.907814|3.561156|3.083631|3.335819|2.073536|1.956485|2.107142|2.486204|2.732794|2.426946|3.459710|4.136705|7.825112|9.116507|17.754766|8.759776|5.646372|5.031196|5.097340|0.090711|6.981273|5.165137|3.500679|3.767305|3.621689|2.719602|2.370567|2.295661|2.029201|2.369837|0.034795|0.036529|0.033417|0.036227|0.038183|0.043548|0.040702|0.042015|0.045215|0.048972|0.054685|0.072768|0.069210|0.214141|0.500000| |1.724217|1.837896|2.112246|2.220280|18.910734|5.679814|4.443557|4.591348|2.818888|2.499756|2.568110|3.020417|3.628862|3.442760|4.617017|4.323833|7.727969|4.949419|5.603078|8.904783|17.755028|8.879018|9.238297|0.190847|6.903207|4.554242|2.865743|3.083916|2.574842|2.414990|2.289285|2.173951|1.965812|2.529099|0.046927|0.050196|0.044016|0.047773|0.051210|0.063527|0.057274|0.056338|0.062346|0.061601|0.063909|0.082167|0.104517|0.107727|0.123231|0.500000| |1.312099|1.373333|1.520765|1.578567|12.772491|3.581245|3.087001|3.171190|1.929417|1.808180|1.904063|2.184606|2.403265|2.218177|2.906880|3.100486|5.472245|4.656148|6.772964|8.913880|5.921921|4.336824|4.623694|0.088789|17.561719|3.713024|2.466859|2.613244|2.443415|2.061704|1.885022|1.825562|1.657900|1.949064|0.035923|0.037895|0.034164|0.036277|0.038295|0.044756|0.041611|0.041190|0.044277|0.045788|0.049481|0.062505|0.064048|0.108641|0.193106|0.150724|0.500000| |1.345352|1.411895|1.554657|1.617530|12.931868|3.663558|3.062967|3.226656|1.941255|1.790560|1.859504|2.126977|2.389255|2.248687|2.902067|3.108155|5.489055|4.654857|6.743419|8.916608|5.929633|4.338989|4.610297|0.088131|17.560686|3.718658|2.557042|2.847350|2.493029|2.126728|1.971233|1.954021|1.710356|2.036019|0.036507|0.039020|0.035119|0.037131|0.039764|0.045999|0.042040|0.041974|0.045967|0.045325|0.047929|0.059895|0.066373|0.108340|0.190545|0.150820|0.302167|0.500000| |1.456861|1.522055|1.697395|1.748867|14.194687|4.087152|3.387883|3.459696|2.077438|1.904269|1.964610|2.240907|2.533932|2.407947|3.052498|3.104418|5.413452|4.174409|5.534752|8.853279|7.247770|4.731664|5.120533|0.102031|17.616214|3.595844|2.388940|2.587419|2.276956|2.024716|1.899385|1.850440|1.661588|2.009646|0.039726|0.042479|0.037727|0.039790|0.042537|0.050676|0.046195|0.045030|0.049209|0.048148|0.050393|0.062520|0.071330|0.095610|0.139960|0.217502|0.300931|0.300976|0.500000| |1.469748|1.627638|1.822668|2.066559|17.396069|4.484892|4.183670|5.008485|3.482007|3.532904|4.385058|6.066761|5.766567|4.152505|6.735849|9.526220|8.246580|5.112267|3.776162|3.276748|3.496746|4.576363|6.456475|0.108709|2.612380|26.039333|9.059602|5.657243|6.889341|7.216393|5.079011|3.851416|4.164315|5.059749|0.040129|0.040836|0.038256|0.044465|0.045427|0.050977|0.049625|0.056169|0.058201|0.083286|0.112358|0.210929|0.103339|0.157141|0.092752|0.084162|0.069775|0.068331|0.067196|0.500000| |1.412076|1.546365|1.698949|1.884304|15.153572|4.113833|3.486874|4.189214|2.654975|2.461367|2.653319|3.208869|3.667359|3.212444|4.707753|6.450843|9.079317|7.104107|5.272141|4.208414|4.101486|4.889184|5.782027|0.097809|3.300749|9.400769|8.774607|17.579589|7.072826|5.384047|4.443012|4.440475|3.325326|4.171435|0.037930|0.039912|0.037038|0.041517|0.044141|0.048675|0.045213|0.049965|0.054834|0.060376|0.067172|0.091646|0.091836|0.220757|0.131017|0.094777|0.083567|0.092812|0.081432|0.142397|0.500000| |1.383074|1.523777|1.651857|1.848619|14.519731|3.850985|3.322542|4.103872|2.565803|2.404458|2.562530|2.988921|3.311732|2.998495|3.846127|4.764566|5.941825|4.361872|3.562419|3.054144|3.049617|3.548815|4.572997|0.080890|2.551592|7.584252|8.878667|17.620569|6.950616|6.808454|5.852277|6.704064|4.128470|4.809335|0.036998|0.038830|0.036531|0.041229|0.043795|0.046829|0.043723|0.049569|0.054307|0.059727|0.065518|0.084170|0.084859|0.134824|0.092652|0.074332|0.065689|0.072213|0.064858|0.125873|0.304604|0.500000| |1.572610|1.752400|1.934051|2.198647|17.725351|4.800370|3.971126|5.086279|3.245539|2.920245|3.082439|3.726295|4.474465|4.033942|5.489444|6.746497|7.824934|5.000300|3.955140|3.538148|3.764169|4.698500|6.278006|0.107450|2.838308|9.345972|8.703884|17.616054|5.502821|6.477550|6.193106|6.216350|4.128029|6.263522|0.041942|0.044270|0.041145|0.047071|0.050413|0.055171|0.050864|0.058189|0.065011|0.070602|0.075964|0.101214|0.117146|0.140859|0.096627|0.091035|0.071369|0.078602|0.073169|0.145119|0.301719|0.302313|0.500000| |1.243537|1.358593|1.482883|1.647340|13.222877|3.400178|3.180036|3.713607|2.412093|2.439792|2.818288|3.351338|3.269231|2.718671|3.681223|4.776800|5.629113|4.310179|3.380516|2.788014|2.743069|3.222632|4.189834|0.074083|2.334992|9.695803|8.749417|5.522673|17.551427|7.144493|4.514038|3.827344|3.924783|3.751405|0.033877|0.034594|0.032779|0.037229|0.038182|0.041486|0.040269|0.045024|0.046779|0.060786|0.075948|0.105811|0.071467|0.151157|0.090264|0.066572|0.063574|0.063286|0.058917|0.202543|0.142756|0.141730|0.122493|0.500000| |1.223500|1.335423|1.444714|1.600677|12.624353|3.276252|2.986520|3.534660|2.240435|2.207035|2.449788|2.846444|2.912406|2.531681|3.301128|4.192893|5.210984|4.107668|3.324182|2.736487|2.649776|3.037328|3.885880|0.069220|2.323201|7.656659|8.754700|6.953937|17.577474|6.999583|4.731727|4.517869|3.920120|3.726627|0.033108|0.034152|0.032387|0.036472|0.037874|0.040594|0.038878|0.043538|0.046029|0.055432|0.065060|0.085163|0.068593|0.142164|0.090433|0.064506|0.062352|0.064685|0.058410|0.141007|0.175535|0.208127|0.140700|0.301878|0.500000| |1.251453|1.360026|1.487311|1.637511|13.160787|3.466162|3.134209|3.626938|2.327053|2.278560|2.563026|3.081503|3.193915|2.691524|3.859579|5.299504|7.031761|6.122596|4.556887|3.477747|3.273641|3.793576|4.605980|0.079856|2.842701|9.735373|8.711822|6.932316|17.583429|5.527533|3.925037|3.608171|3.239470|3.447137|0.033991|0.035100|0.032937|0.036930|0.038356|0.042094|0.040225|0.044179|0.046734|0.056580|0.067530|0.094439|0.072985|0.252267|0.123469|0.076993|0.076835|0.077988|0.069697|0.168922|0.211667|0.169964|0.141508|0.302236|0.302258|0.500000| |1.323564|1.465890|1.585238|1.794306|14.111768|3.578964|3.315763|4.104639|2.633288|2.635008|2.939435|3.352567|3.342118|2.920549|3.511945|4.184292|4.694872|3.323823|2.722269|2.382984|2.428483|2.860765|3.920531|0.070825|2.029139|7.753955|8.930020|6.260940|7.937417|17.559670|9.005551|7.065320|7.237652|5.497307|0.035735|0.036616|0.035044|0.040381|0.041658|0.043997|0.042497|0.049391|0.051833|0.065993|0.078023|0.098214|0.077193|0.104942|0.071514|0.060566|0.053969|0.055779|0.052438|0.154157|0.135155|0.183250|0.147288|0.208518|0.235893|0.152657|0.500000| |1.418894|1.582343|1.736230|1.989467|16.074974|4.028862|3.816319|4.774346|3.203678|3.307274|3.909005|4.635621|4.345936|3.568510|4.375137|5.150300|5.259837|3.508515|2.813457|2.499169|2.620903|3.199150|4.566532|0.081822|2.094102|10.264769|8.924882|5.500622|6.746896|17.507297|8.868240|5.484288|7.483173|6.632767|0.038510|0.039101|0.037304|0.043708|0.044573|0.047934|0.046861|0.055008|0.056809|0.080762|0.103586|0.140877|0.090008|0.108211|0.072110|0.065393|0.055813|0.056368|0.054521|0.239406|0.123544|0.138753|0.140666|0.202937|0.161142|0.140320|0.307432|0.500000| |1.367268|1.521545|1.619532|1.837922|13.979174|3.557474|3.202714|4.074384|2.497580|2.409247|2.522472|2.757815|2.891201|2.732427|2.978813|3.308580|3.918715|2.756022|2.372022|2.151623|2.206513|2.526149|3.489399|0.064710|1.874797|5.253052|5.272063|5.462062|4.473669|6.926809|8.719444|17.536898|6.824531|5.497945|0.036485|0.037862|0.036459|0.041846|0.043947|0.044996|0.042744|0.050444|0.054322|0.061409|0.065873|0.076112|0.075237|0.082469|0.062535|0.056223|0.049119|0.052489|0.049109|0.099667|0.118436|0.187490|0.146395|0.110703|0.139687|0.103088|0.218092|0.143785|0.500000| |1.521833|1.719205|1.823408|2.108817|15.792111|3.972980|3.547269|4.728192|2.842357|2.692884|2.718512|2.889276|3.076959|3.051425|3.026234|3.165346|3.706201|2.513817|2.193863|2.054352|2.161048|2.481712|3.549003|0.067107|1.797129|4.734369|4.264433|4.490307|3.457691|5.446138|8.808134|17.555253|7.248103|6.834136|0.040312|0.041939|0.040599|0.047425|0.050120|0.050323|0.047592|0.058102|0.063368|0.068968|0.069930|0.076714|0.084654|0.072591|0.057048|0.056050|0.046755|0.050021|0.047828|0.090977|0.100329|0.137605|0.135553|0.088234|0.100324|0.083180|0.146101|0.124256|0.302480|0.500000| |1.521060|1.705932|1.833979|2.101052|16.128075|4.194009|3.604712|4.734562|2.898288|2.675657|2.744216|3.064254|3.411198|3.295227|3.591143|3.932383|4.632495|3.144289|2.689207|2.476249|2.591967|3.016769|4.206441|0.077405|2.123009|5.872984|5.708740|7.108725|4.302135|6.408528|8.656446|17.606740|5.521123|6.965331|0.040315|0.042379|0.040308|0.046426|0.049638|0.051439|0.047881|0.056742|0.063037|0.066948|0.069410|0.082157|0.093790|0.091026|0.069242|0.065907|0.054566|0.059486|0.055832|0.105790|0.145471|0.232697|0.226918|0.102675|0.124477|0.103862|0.163827|0.133482|0.301421|0.303942|0.500000| |1.474238|1.664640|1.800376|2.098353|16.411463|3.955361|3.882463|5.045540|3.280320|3.500621|3.904851|4.021485|3.692064|3.354275|3.346879|3.477509|3.794685|2.526132|2.148812|1.992618|2.114724|2.494626|3.676787|0.069239|1.724033|5.635316|4.550682|3.714841|3.800371|7.034919|8.710486|5.523364|17.541364|6.945057|0.039900|0.040114|0.039015|0.046710|0.047055|0.048774|0.048391|0.059470|0.060217|0.089238|0.106401|0.111474|0.084097|0.074363|0.055622|0.054598|0.045883|0.046670|0.045825|0.124318|0.086334|0.100761|0.103970|0.109998|0.101842|0.087863|0.175091|0.227230|0.139595|0.145064|0.122330|0.500000| |1.514911|1.720739|1.832839|2.145596|16.223655|3.918014|3.745808|5.001588|3.090908|3.139786|3.246725|3.287519|3.231302|3.136185|2.968473|3.031527|3.431145|2.299789|1.996054|1.874093|1.987528|2.304028|3.380681|0.064526|1.640641|4.659172|3.900297|3.548161|3.254905|5.548375|8.756844|7.039552|17.557133|7.018249|0.040588|0.041188|0.040357|0.048321|0.049339|0.049604|0.048570|0.060806|0.062914|0.081674|0.086185|0.087637|0.081815|0.066766|0.051874|0.051829|0.043312|0.044903|0.043857|0.096487|0.082071|0.100591|0.102852|0.089425|0.090939|0.077151|0.146006|0.148006|0.168313|0.220830|0.144154|0.301905|0.500000| |1.353457|1.512978|1.613667|1.848302|14.141910|3.473500|3.321311|4.210554|2.636935|2.703446|2.918474|3.068588|2.970069|2.751375|2.862493|3.082420|3.514112|2.425063|2.082935|1.907879|1.981620|2.288857|3.260747|0.061222|1.667750|5.033367|4.503638|3.849456|3.981301|7.066720|8.713512|6.973493|17.543891|5.523510|0.036469|0.037022|0.036077|0.042260|0.043124|0.044066|0.043145|0.051926|0.053587|0.069857|0.079083|0.086008|0.071959|0.072560|0.054793|0.050975|0.044391|0.045789|0.044040|0.105313|0.088532|0.112419|0.103971|0.111898|0.115272|0.090359|0.220028|0.186331|0.203446|0.179624|0.140227|0.301476|0.302045|0.500000| |1.790066|2.052144|2.291971|2.734320|22.409033|5.826503|4.899263|7.063396|4.715632|4.125287|4.238100|5.023345|6.205706|5.913853|6.038364|5.887618|5.989795|3.595695|2.972837|2.825745|3.164386|3.996588|6.217170|0.112401|2.336606|7.988422|6.118509|6.289388|4.103583|6.601307|8.715343|6.790461|5.512072|17.574779|0.047643|0.049680|0.046583|0.055709|0.059026|0.064059|0.059872|0.073292|0.081543|0.096432|0.099669|0.124642|0.161767|0.099271|0.073108|0.080647|0.059695|0.063186|0.062347|0.144699|0.136452|0.149113|0.234938|0.103400|0.104727|0.101306|0.138154|0.158983|0.139947|0.164261|0.203680|0.141128|0.141996|0.122408|0.500000| |1.821060|2.115983|2.314401|2.814960|21.930264|5.385271|4.800670|7.212721|4.544258|4.169706|4.067951|4.262789|4.666190|4.852863|4.110057|3.926720|4.292685|2.718325|2.338382|2.246747|2.471782|2.957085|4.551269|0.086930|1.927340|5.555825|4.364926|4.284529|3.297115|5.417205|8.817972|7.035446|7.001228|17.546691|0.048296|0.049816|0.047814|0.058497|0.061245|0.063168|0.060161|0.077839|0.084820|0.102358|0.098858|0.105054|0.128728|0.076043|0.059063|0.064715|0.049898|0.052402|0.051971|0.109468|0.097620|0.113206|0.140237|0.086728|0.087891|0.080812|0.124110|0.138473|0.141653|0.207827|0.177738|0.171346|0.211821|0.142310|0.302939|0.500000| |1.761347|2.027562|2.266939|2.736963|22.654009|5.535252|5.151672|7.471444|5.339978|5.270873|5.793998|6.541387|6.650206|5.929535|5.385267|5.085491|5.073796|3.107850|2.589334|2.457319|2.731042|3.400086|5.387914|0.100182|2.064382|7.470771|5.306388|4.561451|3.841702|6.726852|8.773755|5.502957|7.020807|17.587605|0.047409|0.048197|0.045861|0.056088|0.057401|0.061900|0.060260|0.075862|0.079293|0.120805|0.135834|0.158233|0.140289|0.087550|0.064603|0.070436|0.053883|0.055189|0.055314|0.156500|0.104504|0.112725|0.142636|0.104440|0.096925|0.092834|0.139483|0.195890|0.122574|0.141146|0.140449|0.209820|0.174536|0.141919|0.301552|0.302519|0.500000| 1789.913266 -11610.379078 4527.822715 -218.413043 -5511.056140 3719.161035 -1791.895105 2.001107 406200000000000C 449FE41A15735FC3 4420020F19D38365 41325D5000000000 B7A16C2614EA0800 42572378BE3B7FFE