Version2.0 2020-01-16T14:59:36Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 23-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CN1CCCc2c1ccc(c2)[C@H](CNC(=O)c3ccc(cc3)S(=O)(=O)N4CCCC4)[NH+]5CCCCC5 C38671079 RHF 6-31G(d) (6D,7F) CN1CCCc2c1ccc(c2)[C@H](CNC(=O)c3ccc(cc3)S(=O)(=O)N4CCCC4)[NH+]5CCCCC5 C01[X(C28H39N4O3S1)] 219 C1 622 O=C(c1ccc(cc1)S(=O)(=O)N1CCCC1)NC[C@H]([NH+]1CCCCC1)c1ccc2c(c1)CCCN2C O=C(c1ccc(cc1)S(=O)(=O)N1CCCC1)NC[C@H]([NH+]1CCCCC1)c1ccc2c(c1)CCCN2C CN1CCCc2cc(ccc12)[C@H](CNC(=O)c3ccc(cc3)[S](=O)(=O)N4CCCC4)[NH+]5CCCCC5 InChIKey=DWFHGEUSPNSZKN-MHZLTWQESA-O InChI=1S/C28H38N4O3S/c1-30-15-7-8-23-20-24(11-14-26(23)30)27(31-16-3-2-4-17-31)21-29-28(33)22-9-12-25(13-10-22)36(34,35)32-18-5-6-19-32/h9-14,20,27H,2-8,15-19,21H2,1H3,(H,29,33)/p+1/t27-/m0/s1 InChI=1/C28H38N4O3S/c1-30-15-7-8-23-20-24(11-14-26(23)30)27(31-16-3-2-4-17-31)21-29-28(33)22-9-12-25(13-10-22)36(34,35)32-18-5-6-19-32/h9-14,20,27H,2-8,15-19,21H2,1H3,(H,29,33)/p+1/t27-/m0/s1/fC28H39N4O3S/h29,31H/q+1 CN1CCCc2c1ccc(c2)[C@H](CNC(=O)c3ccc(cc3)S(=O)(=O)N4CCCC4)[NH+]5CCCCC5 C01[X(C28H39N4O3S1)] 219 C01 622 O=C(c1ccc(cc1)S(=O)(=O)N1CCCC1)NC[C@H]([NH+]1CCCCC1)c1ccc2c(c1)CCCN2C O=C(c1ccc(cc1)S(=O)(=O)N1CCCC1)NC[C@@H](c1ccc2c(c1)CCCN2C)[NH]1CCCCC1 CN1CCCc2cc(ccc12)[C@H](CNC(=O)c3ccc(cc3)[S](=O)(=O)N4CCCC4)[NH]5CCCCC5 InChIKey=DEQNNEBPEAAJEI-MHZLTWQESA-N InChI=1S/C28H39N4O3S/c1-30-15-7-8-23-20-24(11-14-26(23)30)27(31-16-3-2-4-17-31)21-29-28(33)22-9-12-25(13-10-22)36(34,35)32-18-5-6-19-32/h9-14,20,27,31H,2-8,15-19,21H2,1H3,(H,29,33)/t27-/m0/s1 InChI=1/C28H39N4O3S/c1-30-15-7-8-23-20-24(11-14-26(23)30)27(31-16-3-2-4-17-31)21-29-28(33)22-9-12-25(13-10-22)36(34,35)32-18-5-6-19-32/h9-14,20,27,31H,2-8,15-19,21H2,1H3,(H,29,33)/t27-/m0/s1/f/h29H 4093.7164934254 -1922.6805919 1-A 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1851.80 1852.55 1877.78 1883.65 1890.22 1890.89 1897.87 1923.72 1933.34 1936.99 1946.43 1987.30 1987.86 1997.33 2007.77 2013.80 2034.99 2037.48 2048.06 2068.26 2090.36 2091.32 2106.21 2127.09 2131.01 2136.07 2150.47 2151.83 2159.07 2178.86 2178.97 2195.71 2202.88 2203.03 2214.20 2220.63 2231.63 2234.67 2257.78 2259.25 2266.54 2281.32 2315.86 2337.73 2343.12 2343.72 2350.54 2354.26 2358.32 2359.20 2364.63 2365.17 2365.34 2369.40 2392.73 2394.27 2403.98 2404.88 2408.52 2426.02 2437.02 2448.37 2525.56 2537.25 2593.61 2608.23 2778.25 4554.75 4590.21 4597.07 4599.28 4610.06 4615.39 4632.20 4639.81 4640.64 4656.69 4673.58 4678.80 4687.55 4689.29 4701.62 4705.93 4710.49 4717.64 4719.06 4720.85 4721.00 4726.56 4732.55 4752.49 4779.30 4780.98 4785.33 4792.87 4808.84 4814.95 4834.53 4839.72 4864.96 4902.52 4916.18 4923.75 4927.09 5324.23 5600.41 0.700633 0.732617 0.733561 0.631086 -1921.979959 -1921.947975 -1921.947031 -1922.049506 3.437028D-04 MUNgauss RevisionA2.0 retrievium 16-Jan-2020 DUDE CN1CCCc2c1ccc(c2)[C@H](CNC(=O)c3ccc(cc3)S(=O)(=O)N4CCCC4)[NH+]5CCCCC5 C38671079 RHF 6-31G(d) (6D,10F) C1 511.274288 |X|Y|Z| 78.647311 36.279624 145.191095 74.546778 32 6 7 16 27 4 1 |36.858105| |13.154384|53.358707| |7.694402|17.806481|36.858105| |5.057052|10.574620|12.534985|36.858105| |4.400331|8.959051|7.655910|12.503699|36.858105| |5.089190|10.694799|6.706222|7.616373|12.574942|36.858105| |7.801182|18.912904|7.774379|6.728061|7.490437|13.478669|36.858105| |6.726390|10.725274|5.087357|4.514399|4.996180|7.897837|13.564048|36.858105| |4.524973|7.046747|3.908049|3.765129|4.435345|6.851554|7.850621|13.813879|36.858105| |3.748452|6.169659|3.735200|3.881482|4.995419|7.818438|6.726537|7.893470|13.714697|36.858105| |3.928263|7.064181|4.515105|5.066188|7.591125|13.806062|7.901798|6.943953|8.025337|13.684295|36.858105| |2.903101|4.539241|2.899140|3.049405|3.790256|4.998492|4.387415|5.002263|7.504892|12.611551|7.552194|36.858105| |2.656745|4.209295|2.793363|3.031681|3.856035|4.784567|3.957569|4.183830|5.575139|8.901308|7.320568|17.657178|0.500000| |2.652186|4.023957|2.566496|2.693606|3.164661|3.988848|3.715952|4.317617|6.082217|7.490533|5.280806|12.343124|0.248891|36.858105| |2.655671|4.104165|2.652064|2.872544|3.335698|4.098667|3.734737|4.108542|5.266219|6.410750|5.259384|7.778472|0.198659|13.237151|53.358707| |2.355322|3.667892|2.466411|2.749562|3.214717|3.703129|3.239863|3.361850|4.046987|5.042192|4.684327|6.121924|0.187662|7.866340|19.022620|36.858105| |2.159324|3.342964|2.282046|2.533182|3.000606|3.383491|2.929449|3.023320|3.643949|4.620084|4.327098|6.090404|0.208793|7.058794|11.609695|15.826821|73.516695| |2.271309|3.542675|2.434203|2.774209|3.132257|3.428435|3.020600|3.022180|3.405781|4.003669|4.014069|4.304422|0.128748|5.047717|10.641668|12.732975|14.293392|36.858105| |2.086464|3.268287|2.319836|2.699004|3.051339|3.160289|2.727710|2.645645|2.904138|3.426108|3.618337|3.639957|0.113350|3.925581|7.112110|7.722117|11.975839|13.713629|36.858105| |1.968283|3.057858|2.209339|2.582580|2.806950|2.810222|2.474765|2.367665|2.515558|2.858873|3.056983|2.927631|0.088517|3.119146|5.397866|5.079755|8.058307|7.926411|13.774898|36.858105| |1.994644|3.061572|2.194326|2.531865|2.657366|2.686300|2.440691|2.351205|2.459166|2.702496|2.843563|2.707449|0.079053|2.950111|5.139319|4.472816|6.789176|6.891828|7.963868|13.736229|36.858105| |2.148983|3.274162|2.284053|2.585530|2.701266|2.835254|2.635356|2.595984|2.733856|2.950563|3.013119|2.941502|0.083527|3.338133|6.071743|5.019785|7.121153|7.922238|6.858473|7.898608|13.740338|36.858105| |2.308029|3.541393|2.410255|2.707064|2.922413|3.201818|2.951850|2.980004|3.259200|3.592170|3.552655|3.670071|0.103510|4.392616|8.920054|7.519108|9.413300|13.700082|7.920234|6.859456|7.964862|13.771844|36.858105| |1.795740|2.713177|1.982391|2.267043|2.299781|2.264514|2.097432|2.004555|2.047912|2.197446|2.322136|2.172767|0.062850|2.318651|3.817249|3.152564|5.023469|4.188631|4.719886|6.929557|10.678687|6.938906|4.722743|388.023441| |1.874224|2.804600|2.040796|2.308103|2.278409|2.254427|2.135336|2.042349|2.052563|2.153568|2.264025|2.088957|0.059307|2.235150|3.658472|2.892004|4.539844|3.716603|3.861999|4.998710|7.397545|6.520180|4.447534|94.791203|73.516695| |1.739999|2.648609|1.975089|2.291967|2.330052|2.231083|2.035754|1.915289|1.946640|2.109852|2.274371|2.079824|0.060962|2.160870|3.484094|2.901221|4.762962|3.713681|4.446080|6.528253|7.394698|4.990162|3.857561|94.824412|13.558420|73.516695| |1.586075|2.358901|1.711644|1.915666|1.955713|1.949942|1.825337|1.775099|1.831436|1.953719|2.021569|1.973074|0.056957|2.133065|3.442673|2.842122|4.640091|3.627905|4.012039|5.382117|6.989305|5.421579|4.024752|84.167308|13.788642|13.808041|53.358707| |1.529598|2.243191|1.610121|1.769951|1.794853|1.815983|1.730247|1.706462|1.760760|1.848753|1.879415|1.871127|0.053247|2.054086|3.286158|2.639936|4.287659|3.268826|3.386888|4.142647|5.320641|4.919876|3.768180|49.959324|11.605461|8.865807|17.674213|36.858105| |1.365722|1.990848|1.435368|1.567161|1.594381|1.607098|1.531720|1.514136|1.565574|1.644260|1.666904|1.679240|0.047958|1.829753|2.858363|2.297568|3.834353|2.737945|2.878374|3.406062|3.958745|3.629322|3.005634|34.884781|7.895026|7.250899|11.154129|12.471111|36.858105| |1.351986|1.985773|1.437113|1.580552|1.629999|1.636465|1.539504|1.517359|1.581805|1.684950|1.715487|1.740913|0.050373|1.886741|2.944394|2.428179|4.129912|2.899874|3.174639|3.801220|4.140733|3.592682|3.046744|34.733389|7.106584|7.741107|11.052492|7.939453|12.439981|36.858105| |1.458171|2.167235|1.581204|1.766930|1.824313|1.809146|1.681255|1.635761|1.698519|1.827190|1.891311|1.871038|0.054611|2.004088|3.172863|2.659277|4.491235|3.284968|3.776941|4.916121|5.355383|4.186086|3.411745|50.101508|8.855119|11.663165|17.623890|7.754230|7.887673|12.431137|36.858105| |2.679049|4.033024|2.599610|2.643175|3.204531|4.039719|3.740513|4.334369|6.102195|7.658056|5.388217|12.388313|0.253518|7.435795|6.788837|4.258304|7.979959|3.242870|2.869759|2.395536|2.231520|2.388724|2.859818|13.176937|3.179394|3.179701|2.331006|1.638215|1.494125|1.548241|1.643360|53.358707| |2.884060|4.244373|2.668393|2.638253|3.129587|4.021559|3.943954|4.851074|7.062791|7.484972|5.080645|9.227985|0.183057|6.612065|6.218208|3.770023|6.765903|2.975274|2.615047|2.226391|2.112580|2.284429|2.712017|12.612212|3.081135|3.028811|2.231294|1.580618|1.439859|1.478597|1.563060|25.718504|0.500000| |2.630081|4.007369|2.665412|2.715983|3.374593|4.092741|3.654133|3.957486|5.014480|6.311402|5.321777|7.627797|0.206188|4.925981|5.266555|3.560207|6.810922|2.858422|2.648336|2.246888|2.068963|2.159973|2.511123|12.425661|2.985802|3.053592|2.190491|1.525350|1.400799|1.458688|1.557779|17.185111|0.259392|36.858105| |2.376262|3.491042|2.344328|2.330003|2.776356|3.235750|3.040084|3.308934|3.945887|4.385737|3.837348|4.933922|0.131286|3.762095|4.136678|2.818989|5.360483|2.345373|2.197235|1.910122|1.779120|1.851749|2.110961|10.912990|2.636255|2.686248|1.946479|1.366248|1.267042|1.315471|1.391422|10.339951|0.198784|12.513740|36.858105| |2.042618|2.961543|2.000938|2.005158|2.337507|2.671283|2.529858|2.763540|3.286467|3.605917|3.143310|4.314194|0.116787|3.597489|3.928419|2.715921|5.276481|2.250407|2.110255|1.834213|1.707776|1.776856|2.024993|10.496699|2.524055|2.574283|1.898394|1.339974|1.252250|1.304645|1.366789|8.758092|0.163703|7.566235|12.476547|36.858105| |2.066005|2.974620|1.974280|1.978162|2.283250|2.662834|2.562175|2.888087|3.555016|3.831359|3.169463|4.868562|0.124952|4.341034|4.484590|3.011705|5.815779|2.437337|2.228275|1.920311|1.802498|1.905102|2.205066|10.971643|2.645104|2.656278|1.993864|1.418810|1.321406|1.371812|1.428006|10.356315|0.197986|6.554265|7.628254|12.478881|36.858105| |2.233511|3.285573|2.160934|2.203841|2.589467|3.092751|2.909022|3.303121|4.296324|4.943428|3.876920|7.399054|0.183663|6.495393|6.045602|3.968398|7.800130|3.027966|2.701132|2.262607|2.105827|2.246211|2.673992|12.513120|2.999752|3.009959|2.258049|1.599092|1.474614|1.535537|1.608726|17.224959|0.258781|7.699428|6.512938|7.508985|12.483742|36.858105| |17.645541|12.547970|7.627598|4.879779|3.992309|4.246750|5.733682|4.895640|3.615441|3.135835|3.338327|2.516185|0.065127|2.323253|3.197842|2.125155|3.484001|2.081918|1.939780|1.856736|1.889421|2.015430|2.125142|12.312373|3.230887|3.000583|2.082051|1.475285|1.321316|1.304184|1.407179|3.182853|0.069062|2.321010|2.124418|1.846733|1.855791|1.988358|0.500000| |17.575407|12.343340|5.781616|4.346195|3.871931|4.591467|6.850829|6.844249|4.644918|3.713284|3.732738|2.910533|0.073037|2.744837|3.768030|2.414901|3.885351|2.336721|2.113307|1.995995|2.050283|2.246870|2.420656|13.094495|3.450691|3.130148|2.219029|1.586272|1.409461|1.385848|1.487855|3.621675|0.080149|2.536194|2.289901|1.999991|2.060506|2.241474|0.303343|0.500000| |17.508274|12.246606|6.151011|4.289055|3.995186|4.687685|6.869309|6.599296|4.558762|3.713120|3.780001|2.904792|0.073283|2.614175|3.462869|2.251970|3.722439|2.134057|1.964027|1.838838|1.846548|1.981186|2.142508|11.811321|3.053933|2.868986|2.018718|1.433215|1.289568|1.281686|1.374915|3.773513|0.084293|2.754450|2.538101|2.156195|2.164496|2.301853|0.301663|0.299938|0.500000| |7.379160|12.576910|17.612007|8.887467|5.552998|4.968775|5.778617|4.259250|3.344019|3.155173|3.656950|2.532973|0.067820|2.304282|3.263770|2.240544|3.678794|2.246149|2.147691|2.080819|2.097016|2.182815|2.263382|13.740318|3.584686|3.417900|2.273745|1.579626|1.408868|1.400204|1.536999|3.118628|0.065489|2.324430|2.080027|1.805655|1.791135|1.945273|0.243935|0.159748|0.157784|0.500000| |6.589833|12.307364|17.471231|8.846803|6.886485|5.929437|6.495710|4.578662|3.637135|3.516213|4.213747|2.778757|0.074837|2.418722|3.329555|2.291745|3.840677|2.232024|2.147692|2.036962|1.999757|2.062108|2.180133|12.907595|3.288575|3.239765|2.158180|1.491832|1.342755|1.351125|1.480651|3.491091|0.073167|2.704649|2.416991|2.039232|1.978207|2.132913|0.184902|0.136161|0.167155|0.302474|0.500000| |4.827850|9.555910|8.909052|17.551789|8.843648|6.732986|6.228127|4.408915|3.711343|3.792333|4.796430|3.012729|0.082864|2.749909|4.115684|2.893286|4.633408|3.005461|2.900548|2.818167|2.823109|2.909507|3.006035|17.958687|4.646283|4.493182|2.851101|1.932755|1.689481|1.691532|1.902273|3.482860|0.070904|2.556686|2.188840|1.915253|1.919400|2.158181|0.129588|0.122546|0.110365|0.216662|0.173934|0.500000| |4.157995|7.663133|8.892104|17.571418|8.828258|5.536387|4.920716|3.613815|3.125618|3.253114|4.122172|2.669702|0.074885|2.377465|3.440429|2.471890|4.111670|2.521257|2.513901|2.448571|2.388422|2.388016|2.452495|15.569290|3.945987|4.009554|2.523576|1.703791|1.519782|1.536690|1.723235|3.212468|0.065011|2.458734|2.145171|1.862335|1.820676|2.005317|0.116942|0.100322|0.101291|0.213562|0.215282|0.302267|0.500000| |3.602237|6.752005|5.545903|8.824086|17.563916|8.894605|5.657319|4.222888|3.998266|4.724464|7.151813|3.794730|0.111678|3.215519|4.761590|3.514522|5.841179|3.507007|3.524207|3.235789|2.989615|2.968400|3.193032|18.148047|4.415123|4.663648|2.910847|1.931095|1.709031|1.762482|1.999440|4.261438|0.082898|3.273314|2.665977|2.288525|2.243795|2.576537|0.092357|0.091643|0.091442|0.124062|0.139891|0.216296|0.207843|0.500000| |4.037787|7.661830|6.787713|8.880235|17.510421|8.902764|6.147695|4.413385|3.998492|4.494437|6.438631|3.543029|0.101208|2.904272|4.035799|2.882817|4.927374|2.764786|2.731593|2.515077|2.358941|2.373318|2.556859|14.729779|3.622846|3.765440|2.436744|1.646721|1.480595|1.520542|1.691809|4.272072|0.084957|3.461956|2.895142|2.399076|2.286903|2.543655|0.103553|0.096815|0.106592|0.139814|0.200020|0.174053|0.218320|0.303670|0.500000| |7.641629|9.726505|4.638438|3.925307|4.061705|5.616072|8.846966|17.789998|9.028778|5.655737|4.994924|4.098918|0.096432|3.747160|4.842621|2.936284|4.718827|2.683365|2.358325|2.144961|2.159907|2.394964|2.706249|13.322552|3.430620|3.167572|2.278595|1.626720|1.448190|1.440314|1.540256|5.099432|0.118824|3.413669|2.998798|2.556487|2.690436|2.989614|0.148785|0.241334|0.217984|0.113885|0.117073|0.107791|0.089865|0.097009|0.102314|0.500000| |3.970482|5.731766|3.276482|3.126165|3.545182|4.936967|5.628928|9.036815|17.655840|8.843630|5.656535|6.872079|0.138967|6.310875|6.911125|3.820816|6.171267|3.185674|2.694067|2.343225|2.310316|2.591721|3.095037|13.769488|3.458852|3.246280|2.393757|1.711424|1.529245|1.539817|1.634215|8.484009|0.220362|4.743922|3.933431|3.391462|3.841719|4.606431|0.090076|0.116924|0.113548|0.080509|0.085770|0.086472|0.074102|0.090832|0.090835|0.221639|0.500000| |3.283366|5.723378|3.945509|4.659552|7.141916|9.027129|5.640457|4.985531|5.679831|8.920553|17.675913|7.028272|0.226370|4.975104|6.936174|4.992469|8.585292|4.274628|4.032005|3.331192|2.984259|3.067745|3.595451|17.171563|4.095200|4.273055|2.856004|1.923035|1.712692|1.785411|1.985868|6.919123|0.125610|5.290322|3.767659|3.140802|3.109921|3.823687|0.080289|0.086651|0.087968|0.090835|0.104373|0.122565|0.110761|0.217181|0.177000|0.108179|0.123961|0.500000| |2.311622|3.459895|2.257319|2.371723|2.758440|3.324770|3.091327|3.495650|4.610271|5.483366|4.252226|8.756736|0.216007|17.691710|12.753813|7.405879|13.705212|4.747407|3.810586|3.019927|2.820646|3.137068|4.053557|15.879393|3.780168|3.709275|2.854130|2.025970|1.827559|1.902197|1.999143|9.285870|0.161590|4.652979|3.689818|3.742852|4.687794|7.346387|0.057123|0.066115|0.063693|0.056865|0.059747|0.066984|0.059221|0.078647|0.071628|0.086694|0.134898|0.116888|0.500000| |2.763772|4.078088|2.542335|2.596294|2.965403|3.771475|3.734034|4.598264|6.596728|6.777952|4.693663|8.725841|0.174134|17.588354|12.595651|5.794388|9.101392|4.248176|3.349199|2.776300|2.707371|3.113016|3.996588|15.482078|3.803019|3.580277|2.741090|1.969681|1.755288|1.785656|1.878261|9.070799|0.188899|4.439869|3.588810|3.438572|4.248153|5.924759|0.066700|0.081032|0.076136|0.063947|0.066375|0.073853|0.063434|0.081720|0.075664|0.114721|0.216850|0.117186|0.301700|0.500000| |2.936354|4.562016|2.891123|3.126536|3.552697|4.445385|4.168833|4.609693|5.713413|6.443898|5.427357|6.504347|0.160888|9.068390|26.081430|9.334342|10.937372|7.362498|4.935149|3.947518|3.934467|4.857621|7.209863|20.823992|5.119901|4.689875|3.523413|2.483993|2.127651|2.156253|2.335197|5.978022|0.117170|3.522990|2.818808|2.631475|2.956812|3.807770|0.071640|0.086457|0.076730|0.072823|0.072611|0.093504|0.075214|0.102343|0.085557|0.110638|0.149605|0.138607|0.182489|0.225823|0.500000| |2.016095|3.164803|2.264897|2.635448|3.051973|3.130461|2.654305|2.566029|2.842433|3.432622|3.661746|3.750939|0.122195|3.882349|6.602294|7.231330|13.375265|8.939916|17.756769|8.914068|5.654130|4.947602|5.647225|27.724934|5.754755|6.905186|4.680991|2.930992|2.585938|2.896698|3.395474|4.073768|0.074330|2.818252|2.322118|2.236975|2.333738|2.835585|0.052069|0.056111|0.053248|0.057808|0.059076|0.076861|0.068770|0.098689|0.077454|0.063229|0.073074|0.117896|0.107126|0.090256|0.122155|0.500000| |1.839700|2.851309|2.096001|2.458995|2.661190|2.595015|2.278952|2.159316|2.272514|2.575767|2.788202|2.631676|0.080161|2.732297|4.522637|4.137626|6.954361|5.638624|8.908164|17.760321|8.922585|5.636037|4.948806|47.137486|8.201149|13.361466|7.227628|3.918932|3.362011|3.887128|5.284736|3.000786|0.056884|2.109926|1.811886|1.742183|1.801257|2.092246|0.048611|0.051382|0.047921|0.055039|0.054177|0.073692|0.066003|0.085679|0.067271|0.054565|0.058798|0.085309|0.074193|0.067951|0.091183|0.214001|0.500000| |2.120276|3.176889|2.209710|2.460345|2.504305|2.627332|2.509513|2.486445|2.573184|2.695147|2.727727|2.648770|0.073829|3.002617|5.256966|4.081026|5.944881|5.636517|4.947880|5.634707|8.920178|17.759484|8.909738|47.214055|13.284796|8.177840|7.326705|5.342148|3.776309|3.522719|3.971256|2.987496|0.059131|1.986187|1.725807|1.657567|1.779255|2.069520|0.055610|0.062242|0.054056|0.059496|0.055218|0.077420|0.063275|0.074994|0.061312|0.064850|0.068466|0.075673|0.078277|0.080112|0.119145|0.107490|0.124188|0.500000| |2.404624|3.629770|2.411495|2.638800|2.821310|3.185052|3.038567|3.171659|3.501070|3.719820|3.520761|3.783765|0.102261|4.771628|9.776627|6.874830|8.644689|8.861234|5.628190|4.946235|5.669450|8.975740|17.729696|27.829335|6.930743|5.756362|4.718587|3.411573|2.765252|2.738880|2.961414|4.025854|0.079298|2.534779|2.143411|2.060250|2.279215|2.768859|0.060996|0.071270|0.062070|0.063089|0.060445|0.081214|0.065750|0.083255|0.068704|0.081019|0.094486|0.095512|0.119848|0.126205|0.238630|0.123985|0.107473|0.216172|0.500000| |1.580179|2.314349|1.642259|1.796565|1.835651|1.885106|1.801256|1.796160|1.870992|1.962808|1.970156|2.003916|0.056756|2.242438|3.627216|2.911277|4.670511|3.632656|3.629615|4.289897|5.578777|5.624614|4.326752|43.671034|10.315754|7.767986|12.251966|17.517696|8.776775|6.696108|6.256255|2.375082|0.046763|1.605813|1.433957|1.411397|1.507958|1.711163|0.042053|0.045763|0.041193|0.044553|0.042212|0.054471|0.047604|0.054680|0.046656|0.047554|0.050823|0.055763|0.061648|0.059837|0.076080|0.085951|0.107867|0.172199|0.109913|0.500000| |1.550735|2.262683|1.626422|1.780755|1.780478|1.796518|1.727973|1.699671|1.734429|1.801555|1.835585|1.799250|0.050807|1.964683|3.127333|2.459739|3.968665|3.006813|3.058818|3.683668|4.775939|4.605063|3.523798|46.660129|13.100464|8.358466|12.335114|17.662708|8.680591|5.700317|5.790139|2.149477|0.042609|1.472912|1.323135|1.291539|1.365175|1.531484|0.041752|0.044829|0.040178|0.044668|0.041693|0.054360|0.047671|0.052886|0.045262|0.045271|0.046801|0.051732|0.053329|0.052830|0.066585|0.073849|0.096747|0.147486|0.090616|0.300451|0.500000| |1.317396|1.906960|1.366797|1.478660|1.505253|1.529470|1.468050|1.463547|1.517551|1.584035|1.589867|1.625631|0.046159|1.784523|2.763610|2.197254|3.676620|2.567003|2.636783|3.010025|3.447975|3.308494|2.826495|28.291237|6.674330|5.954403|7.921233|8.732541|17.590699|8.677568|5.641217|1.982104|0.039099|1.359060|1.235631|1.227611|1.301551|1.447462|0.035366|0.037890|0.034672|0.037286|0.035592|0.044119|0.039720|0.044498|0.038937|0.039075|0.041484|0.045142|0.049775|0.047881|0.057003|0.066290|0.081374|0.096599|0.073876|0.218610|0.194292|0.500000| |1.317652|1.916042|1.390872|1.517259|1.530935|1.530233|1.462032|1.437329|1.474258|1.542428|1.572959|1.562638|0.044587|1.683757|2.607277|2.077904|3.481103|2.447794|2.584708|3.055868|3.510271|3.198764|2.667001|32.304239|7.573233|7.050564|9.425400|8.862597|17.563455|8.810120|6.795401|1.902907|0.037528|1.320051|1.198958|1.181539|1.239787|1.374648|0.035611|0.037687|0.034532|0.038117|0.036188|0.045414|0.041135|0.045498|0.039601|0.038293|0.039914|0.044844|0.046517|0.045008|0.054134|0.065225|0.085404|0.093061|0.068570|0.174357|0.220296|0.301414|0.500000| |1.363636|2.002428|1.438804|1.577477|1.641850|1.665176|1.565017|1.554775|1.636864|1.749796|1.764712|1.831378|0.053057|2.008445|3.138878|2.612944|4.468804|3.106820|3.369051|3.908383|4.163485|3.709869|3.234781|31.551888|6.509089|6.932781|9.095734|6.833422|8.829088|17.550637|8.824864|2.215188|0.043031|1.522493|1.371089|1.368317|1.447902|1.628209|0.036353|0.038889|0.036029|0.038753|0.037626|0.046738|0.042362|0.049252|0.042571|0.040936|0.044471|0.051068|0.056820|0.052624|0.063170|0.085503|0.108268|0.099276|0.080899|0.188009|0.137971|0.217168|0.173943|0.500000| |1.262136|1.848005|1.343505|1.472711|1.517393|1.515931|1.427201|1.404935|1.461513|1.554971|1.585235|1.607588|0.046580|1.726208|2.653407|2.175773|3.753379|2.535940|2.783024|3.256125|3.423921|3.000801|2.616207|28.385667|5.978018|6.737849|7.948524|5.663492|8.674564|17.595153|8.732769|1.966272|0.038336|1.370708|1.244424|1.237497|1.294906|1.437941|0.033925|0.035815|0.033351|0.036415|0.035272|0.043500|0.039999|0.045457|0.039602|0.037125|0.039561|0.045899|0.048511|0.045451|0.053763|0.072281|0.094575|0.081703|0.066078|0.136240|0.125992|0.196357|0.216203|0.301998|0.500000| |1.407729|2.090913|1.540488|1.724502|1.767737|1.731112|1.608599|1.553407|1.600004|1.717175|1.792421|1.744136|0.050937|1.841460|2.879873|2.388246|4.064717|2.889642|3.329490|4.268389|4.524976|3.580331|2.969444|44.418031|8.231231|12.000008|12.349512|6.063206|6.472878|8.709521|17.617987|2.100253|0.040847|1.477196|1.325527|1.298080|1.346003|1.505025|0.037955|0.039723|0.036864|0.041766|0.040182|0.051445|0.047164|0.053829|0.045756|0.040698|0.042631|0.052339|0.050844|0.048069|0.059056|0.085077|0.132685|0.095508|0.072466|0.134714|0.140842|0.133280|0.180071|0.174655|0.219613|0.500000| |1.493609|2.235610|1.630544|1.833537|1.921078|1.905967|1.750525|1.701745|1.782444|1.943011|2.016825|2.010522|0.059386|2.149043|3.417998|2.941924|5.034466|3.670443|4.438036|5.906274|5.803473|4.349557|3.650202|46.354215|7.978390|11.514218|12.214035|5.908988|5.734809|8.719824|17.590485|2.390833|0.046029|1.667256|1.480023|1.455855|1.519365|1.722811|0.039857|0.042174|0.039222|0.043684|0.042520|0.054554|0.049587|0.058993|0.049551|0.044191|0.047489|0.059515|0.059901|0.055243|0.068944|0.111976|0.185461|0.108908|0.086142|0.149334|0.128391|0.127024|0.137625|0.223889|0.192450|0.301806|0.500000| |2.399100|3.692033|2.519258|2.638153|3.306499|3.840816|3.310126|3.450211|4.237308|5.514452|5.040071|7.036786|0.227129|4.736193|5.260368|3.752876|7.527282|2.993843|2.835958|2.377560|2.147185|2.208671|2.563492|12.832846|3.044874|3.178086|2.266196|1.565382|1.442463|1.516571|1.625890|12.444697|0.182491|17.604380|8.801856|6.844273|5.828069|7.093208|0.059636|0.064280|0.068672|0.061331|0.070793|0.069275|0.067199|0.092081|0.094476|0.082912|0.110148|0.151862|0.129474|0.113241|0.095669|0.086023|0.062450|0.055827|0.070582|0.045693|0.041729|0.038759|0.037702|0.044066|0.039643|0.042822|0.048735|0.500000| |3.009974|4.700792|3.109173|3.150101|4.044295|5.072713|4.414013|4.662504|5.780756|7.453821|6.662813|7.290655|0.193427|4.623828|5.194633|3.482554|6.434989|2.866549|2.663559|2.279959|2.108749|2.200074|2.541098|12.700142|3.070321|3.132551|2.212297|1.534717|1.401702|1.453467|1.563179|12.373675|0.224014|17.681965|8.786803|5.497366|4.903700|5.623749|0.072940|0.079101|0.088022|0.073678|0.088485|0.080717|0.078179|0.105813|0.117185|0.107987|0.141272|0.176162|0.115401|0.117589|0.099784|0.078040|0.059499|0.056317|0.071072|0.044688|0.041384|0.037630|0.036822|0.041874|0.037891|0.041332|0.046323|0.301336|0.500000| |2.290064|3.376451|2.319768|2.310490|2.756119|3.106498|2.884159|3.029626|3.458665|3.847259|3.582915|4.129865|0.114570|3.209882|3.682939|2.567573|4.889977|2.184237|2.084739|1.830632|1.698622|1.748105|1.966546|10.518521|2.536481|2.612705|1.873965|1.309669|1.218960|1.268310|1.345422|7.571711|0.145395|8.987012|17.573811|8.786355|5.522053|4.884950|0.057520|0.060506|0.068034|0.057161|0.067478|0.059599|0.059843|0.073482|0.081815|0.076484|0.093383|0.099825|0.087382|0.084533|0.070417|0.061567|0.048722|0.045290|0.054925|0.037955|0.035267|0.032941|0.032166|0.036573|0.033456|0.035798|0.039752|0.214024|0.213682|0.500000| |2.535010|3.648507|2.408414|2.335315|2.734013|3.234347|3.162660|3.540550|4.176049|4.332504|3.714522|4.582546|0.115895|3.600188|3.967067|2.641506|4.891018|2.225431|2.065142|1.813451|1.711481|1.796239|2.041021|10.560128|2.575186|2.587364|1.881898|1.328664|1.229844|1.267533|1.337215|9.291306|0.209213|8.869039|17.514252|8.814934|6.801472|5.686548|0.062496|0.067907|0.076675|0.059487|0.069211|0.060869|0.059387|0.071534|0.078914|0.090906|0.118616|0.097393|0.095948|0.099363|0.076603|0.059734|0.047635|0.046916|0.058198|0.038749|0.035926|0.033385|0.032386|0.036611|0.033287|0.035414|0.039267|0.173242|0.214131|0.303987|0.500000| |1.912048|2.799059|1.919606|1.953513|2.287903|2.562114|2.377687|2.539294|2.986532|3.368376|3.029178|4.089693|0.116986|3.440158|3.847100|2.743783|5.471556|2.276520|2.168089|1.878021|1.728807|1.779718|2.021419|10.620999|2.532206|2.619944|1.926753|1.353011|1.269744|1.332782|1.398055|7.648676|0.135071|6.785103|8.850041|17.529299|8.845257|6.719048|0.048386|0.051898|0.055475|0.048196|0.054295|0.051900|0.050794|0.063179|0.065411|0.064840|0.083930|0.086673|0.101576|0.088753|0.070865|0.064778|0.049871|0.045845|0.056460|0.039512|0.036063|0.034518|0.033258|0.038894|0.035201|0.036905|0.041587|0.200546|0.139319|0.214872|0.173386|0.500000| |1.918220|2.739969|1.860624|1.845747|2.115610|2.384504|2.296198|2.500508|2.890708|3.067847|2.722728|3.509082|0.094501|3.037022|3.405367|2.359433|4.524878|1.998540|1.884420|1.661059|1.557762|1.618175|1.823107|9.688793|2.339304|2.378837|1.760139|1.247469|1.171320|1.216787|1.269116|6.598091|0.131377|5.509374|8.826809|17.587995|8.844228|5.490152|0.048530|0.052149|0.056618|0.047021|0.052974|0.048929|0.047944|0.057241|0.060604|0.065454|0.083465|0.075056|0.087325|0.082446|0.064313|0.055150|0.044038|0.042248|0.051625|0.036404|0.033491|0.031975|0.030797|0.035370|0.032179|0.033591|0.037382|0.139674|0.123186|0.208803|0.214842|0.303446|0.500000| |1.860093|2.663492|1.784257|1.796029|2.048092|2.344753|2.258222|2.515355|3.026006|3.239474|2.749444|4.064871|0.107507|3.869627|4.126822|2.830270|5.521333|2.316169|2.131153|1.846336|1.734186|1.827325|2.102175|10.610200|2.550273|2.565989|1.948485|1.392216|1.305677|1.358817|1.403845|7.584008|0.144867|4.913270|5.522083|8.787462|17.574192|8.985055|0.046852|0.051774|0.053776|0.045379|0.049529|0.048721|0.046263|0.056409|0.056830|0.065793|0.090675|0.075863|0.120695|0.105195|0.075366|0.062061|0.048269|0.047503|0.060266|0.041159|0.037096|0.035868|0.033983|0.039999|0.035732|0.036713|0.041498|0.130563|0.108013|0.123203|0.139015|0.214748|0.209271|0.500000| 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