Version2.0 2020-01-23T07:50:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 05-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCNC(=O)CN1c2c(c(nn2c3ccc(cc3C)C)C(C)(C)C)[C@H](SCC1=O)c4cccs4 C35848560 RHF 6-31G(d) (6D,7F) CCCCNC(=O)CN1c2c(c(nn2c3ccc(cc3C)C)C(C)(C)C)[C@H](SCC1=O)c4cccs4 C01[X(C28H36N4O2S2)] 210 C1 620 CCCCNC(=O)CN1C(=O)CS[C@@H](c2c1n(nc2C(C)(C)C)c1ccc(cc1C)C)c1cccs1 CCCCNC(=O)CN1C(=O)CS[C@@H](c2c1n(nc2C(C)(C)C)c1ccc(cc1C)C)c1cccs1 CCCCNC(=O)CN1C(=O)CS[C@H](c2sccc2)c3c(nn(c4ccc(C)cc4C)c13)C(C)(C)C InChIKey=JATRHTVNXWJVQN-RUZDIDTESA-N InChI=1S/C28H36N4O2S2/c1-7-8-13-29-22(33)16-31-23(34)17-36-25(21-10-9-14-35-21)24-26(28(4,5)6)30-32(27(24)31)20-12-11-18(2)15-19(20)3/h9-12,14-15,25H,7-8,13,16-17H2,1-6H3,(H,29,33)/t25-/m1/s1 InChI=1/C28H36N4O2S2/c1-7-8-13-29-22(33)16-31-23(34)17-36-25(21-10-9-14-35-21)24-26(28(4,5)6)30-32(27(24)31)20-12-11-18(2)15-19(20)3/h9-12,14-15,25H,7-8,13,16-17H2,1-6H3,(H,29,33)/t25-/m1/s1/f/h29H CCCCNC(=O)CN1c2c(c(nn2c3ccc(cc3C)C)C(C)(C)C)[C@H](SCC1=O)c4cccs4 C01[X(C28H36N4O2S2)] 210 C01 620 CCCCNC(=O)CN1C(=O)CS[C@@H](c2c1n(nc2C(C)(C)C)c1ccc(cc1C)C)c1cccs1 CCCCNC(=O)CN1C(=O)CS[C@@H]([C@H]2[C@@H]1N(N[C@H]2C(C)(C)C)c1ccc(cc1C)C)c1cccs1 CCCCNC(=O)CN1[C@@H]2[C@@H]([C@@H](NN2c3ccc(C)cc3C)C(C)(C)C)[C@H](SCC1=O)c4sccc4 InChIKey=WHEXNIPPNKGZRT-CWTOASCOSA-N InChI=1S/C28H40N4O2S2/c1-7-8-13-29-22(33)16-31-23(34)17-36-25(21-10-9-14-35-21)24-26(28(4,5)6)30-32(27(24)31)20-12-11-18(2)15-19(20)3/h9-12,14-15,24-27,30H,7-8,13,16-17H2,1-6H3,(H,29,33)/t24-,25-,26-,27+/m1/s1 InChI=1/C28H40N4O2S2/c1-7-8-13-29-22(33)16-31-23(34)17-36-25(21-10-9-14-35-21)24-26(28(4,5)6)30-32(27(24)31)20-12-11-18(2)15-19(20)3/h9-12,14-15,24-27,30H,7-8,13,16-17H2,1-6H3,(H,29,33)/t24-,25-,26-,27+/m1/s1/f/h29H 4494.3029994971 -2243.8118425 1-A 21139.3435 140 480 620 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999.99 1047.07 1097.45 1133.64 1138.66 1143.85 1156.21 1162.85 1166.64 1173.73 1212.57 1231.71 1253.19 1264.80 1272.11 1305.39 1319.72 1341.44 1352.76 1394.30 1417.89 1425.22 1438.22 1449.39 1454.66 1462.74 1469.45 1474.43 1503.85 1511.00 1514.32 1555.93 1561.94 1581.34 1594.32 1596.86 1627.53 1641.79 1653.66 1659.30 1675.54 1681.48 1685.71 1688.98 1718.54 1737.14 1762.13 1786.51 1794.09 1804.56 1833.53 1852.28 1857.68 1887.66 1902.49 1942.66 1949.98 1953.21 1959.33 1975.19 1991.04 2013.73 2024.43 2037.43 2047.70 2057.06 2073.24 2080.91 2081.53 2094.07 2165.15 2174.84 2185.07 2187.48 2234.80 2238.50 2243.24 2249.29 2256.01 2256.48 2261.12 2266.46 2270.79 2281.04 2313.05 2325.30 2333.39 2342.61 2344.22 2347.78 2349.26 2351.36 2352.41 2353.92 2361.68 2361.75 2362.71 2365.85 2375.56 2379.63 2380.07 2391.62 2400.46 2404.26 2449.27 2469.79 2527.38 2539.63 2559.49 2617.66 2813.12 2817.87 4572.64 4596.96 4603.58 4612.28 4613.14 4613.56 4617.86 4626.83 4630.46 4633.38 4652.87 4689.25 4691.62 4692.58 4693.63 4699.23 4706.67 4715.69 4716.88 4723.64 4724.61 4740.24 4748.20 4752.42 4753.15 4789.19 4790.57 4798.13 4823.36 4823.51 4841.51 4877.30 4885.21 4910.82 4950.55 5566.87 0.646175 0.681527 0.682471 0.574211 -2243.165668 -2243.130315 -2243.129371 -2243.237632 3.631092D-04 MUNgauss RevisionA2.0 retrievium 23-Jan-2020 DUDE CCCCNC(=O)CN1c2c(c(nn2c3ccc(cc3C)C)C(C)(C)C)[C@H](SCC1=O)c4cccs4 C35848560 RHF 6-31G(d) (6D,10F) C1 524.227970 |X|Y|Z| 91.547822 103.011411 46.335480 75.883789 21 6 7 16 16 3 2 |36.858105| |12.467341|36.858105| |7.481413|12.455269|36.858105| |4.878509|7.503893|12.495883|36.858105| |3.813027|4.991294|7.776366|13.103848|53.358707| |3.053174|3.841013|5.131870|7.798603|19.249592|36.858105| |2.871335|3.644035|4.498338|6.839532|11.534016|15.864150|73.516695| |2.581299|3.054411|3.933070|5.012903|10.692314|12.477093|14.224853|36.858105| |2.217126|2.590523|3.149734|3.938932|7.196576|7.717846|12.016677|13.128499|53.358707| |1.972531|2.271354|2.674761|3.249395|5.524648|5.551690|9.844953|7.646741|18.513981|36.858105| |1.840934|2.120728|2.424156|2.941852|4.705828|4.566678|8.951212|5.266927|10.418577|13.938168|36.858105| |1.654933|1.870061|2.110883|2.473767|3.884955|3.558396|6.750056|4.126573|7.240914|8.645144|13.219836|36.858105| |1.655913|1.853045|2.115508|2.438461|3.907920|3.525848|6.357862|4.343460|7.342629|8.669096|8.490270|14.622524|53.358707| |1.826909|2.059266|2.408426|2.808617|4.702519|4.373808|7.510206|6.014476|10.751555|14.167211|8.646417|8.922130|19.424008|53.358707| |1.827585|2.026977|2.393338|2.703915|4.579419|4.021370|6.516797|5.724224|8.605339|7.606826|5.292033|5.468874|10.829864|18.203015|36.858105| |1.784033|1.960180|2.313726|2.572610|4.345642|3.670016|5.809113|5.190124|7.864598|5.967541|4.364784|4.332477|7.615401|10.712583|13.783500|36.858105| |1.741515|1.878528|2.210322|2.379589|3.956855|3.171915|4.979696|4.234822|5.832167|4.226647|3.329855|3.338590|5.617055|7.015595|7.932143|13.757535|36.858105| |1.736630|1.854613|2.175537|2.302003|3.781741|2.977150|4.704915|3.826255|4.985242|3.689008|2.993760|3.062335|5.162186|6.160238|6.840523|7.926963|13.745668|36.858105| |1.777205|1.912106|2.243094|2.398041|3.940277|3.164913|5.072999|4.042965|5.184128|4.018748|3.264356|3.413365|5.936374|7.020595|8.002155|6.941010|7.989795|13.691320|36.858105| |1.823959|1.999964|2.352954|2.597123|4.323566|3.657352|5.958433|4.835457|6.428980|5.392085|4.206771|4.483484|8.415783|10.609092|13.648861|7.891535|6.812318|7.816120|13.733894|36.858105| |1.816629|1.998852|2.319599|2.570774|4.160731|3.539612|6.036352|4.302279|5.650310|4.929432|4.193074|4.629853|8.300042|8.918141|7.500003|5.001925|4.423413|4.993735|7.568170|12.612813|36.858105| |1.648427|1.726996|2.000197|2.060515|3.296989|2.508801|3.993383|3.055547|3.934337|2.862746|2.420328|2.468664|3.990133|4.533241|4.434896|5.017083|7.541822|12.609013|7.563020|4.996464|3.786253|36.858105| |1.485120|1.661166|1.834990|2.112121|3.206791|2.822119|5.403517|3.111951|5.113599|5.123785|6.994405|12.455561|10.701711|7.261091|3.963975|3.341272|2.736423|2.566019|2.830562|3.509231|3.739388|2.145206|36.858105| |1.493495|1.675000|1.827233|2.104676|3.122963|2.726228|5.377078|2.865261|4.483570|4.235196|5.637376|7.507368|7.445691|5.731435|3.295387|2.782367|2.355003|2.266134|2.528417|3.079797|3.458487|1.932130|12.386156|36.858105| |1.376738|1.518511|1.673836|1.885576|2.860363|2.451826|4.560298|2.741509|4.332022|4.145523|4.847719|7.589628|9.724070|6.488747|3.882902|3.292117|2.769522|2.647902|2.940937|3.582944|3.834813|2.228433|12.380026|7.672866|36.858105| |1.407061|1.570417|1.719289|1.973051|2.960165|2.567555|4.900216|2.794073|4.660435|4.362821|5.839410|7.611905|7.445878|5.828331|3.340711|3.009190|2.495387|2.292520|2.438552|2.903811|2.952947|1.951564|12.384347|7.535126|7.659023|36.858105| |1.915501|2.242667|2.524944|3.143892|4.838469|4.683596|9.968178|4.763115|8.837250|7.741778|12.555368|6.862109|6.907611|7.169878|3.857842|3.426040|2.759248|2.498753|2.662313|3.239356|3.251880|2.090889|5.233034|4.841608|3.755945|5.054795|36.858105| |2.147765|2.568746|2.937912|3.817363|5.948758|6.139553|14.369881|5.738629|10.171926|7.585526|9.193555|5.512356|6.144985|6.833009|3.835176|3.409536|2.779963|2.536238|2.707204|3.273217|3.287209|2.126466|4.231565|4.074080|3.244829|3.964240|17.661658|0.500000| |1.806932|2.091259|2.330549|2.833681|4.301507|3.892809|7.593388|4.038394|7.507919|5.623815|6.823663|4.876347|5.432938|5.735568|3.347232|3.229033|2.639985|2.324129|2.374600|2.768861|2.651101|1.978267|4.093307|3.614486|3.173995|4.530538|10.308710|0.224256|388.023441| |1.875079|2.152981|2.470854|2.972193|4.771396|4.319911|7.624020|5.019684|10.494403|6.804013|6.413287|4.721493|5.867079|6.852748|4.127190|4.248903|3.341164|2.798642|2.772636|3.216481|2.896542|2.334199|3.701050|3.131122|3.065468|3.877028|6.792939|0.176982|74.410254|36.858105| |2.172404|2.537532|3.029407|3.768100|6.517832|6.273565|10.146511|7.922929|18.866973|7.884810|6.129416|4.403814|5.789504|7.430509|4.656338|4.746276|3.722906|3.127428|3.112444|3.626134|3.215477|2.572045|3.348351|2.941593|2.836522|3.267378|6.230280|0.193831|48.278794|12.543910|36.858105| |2.377312|2.797021|3.386789|4.222604|7.328490|6.418099|9.744508|7.202667|11.608416|5.436169|4.493802|3.464670|4.621198|5.722033|3.867172|4.058461|3.407687|2.906669|2.841629|3.177635|2.833234|2.462105|2.773563|2.510152|2.409530|2.725778|4.770546|0.152985|37.821624|7.989747|15.910775|73.516695| |1.808273|2.107522|2.300917|2.814867|4.105694|3.753836|8.174466|3.609579|5.928576|5.021302|7.265589|5.539674|5.605284|5.407812|3.084695|2.746578|2.299468|2.136985|2.292544|2.732264|2.851135|1.829389|5.077282|5.423590|3.606998|5.025799|12.631349|0.255480|49.376984|4.568704|4.220710|6.334251|36.858105| |1.633653|1.877513|2.011903|2.397021|3.427406|2.998545|6.250757|2.912638|4.690530|3.879732|5.223717|4.526418|4.725829|4.445419|2.629993|2.400515|2.046021|1.903200|2.017456|2.352488|2.437575|1.654178|4.647750|5.024803|3.397539|5.147219|7.341452|0.160621|43.101229|3.942719|3.475753|5.378123|14.130892|36.858105| |1.578563|1.805373|1.898805|2.231477|3.110129|2.650838|5.529321|2.520478|3.870940|3.140842|3.969473|3.642967|3.985900|3.737374|2.282105|2.080172|1.811005|1.713672|1.826082|2.102306|2.220074|1.509219|3.882028|4.571746|3.007281|4.102109|5.009551|0.122717|29.936242|3.062370|2.823313|4.514541|8.189396|13.262852|36.858105| |1.687757|1.944681|2.038319|2.411286|3.321273|2.835411|6.067401|2.627398|3.917834|3.162596|3.914524|3.568050|3.974845|3.766459|2.311656|2.075777|1.815856|1.739619|1.876329|2.167787|2.338125|1.532006|3.684971|4.545587|2.904497|3.598387|4.825888|0.126154|26.680145|2.876614|2.777054|4.478012|7.671657|8.239663|14.176308|36.858105| |1.921117|2.257572|2.429169|2.979105|4.193403|3.762358|8.585664|3.404922|5.087707|4.156153|5.266281|4.420705|4.846033|4.718142|2.808985|2.460881|2.114638|2.022135|2.208893|2.613613|2.845946|1.750293|4.147855|4.963563|3.176047|3.781729|6.814251|0.190305|31.425827|3.432822|3.460879|5.461820|10.950079|7.470512|7.470664|11.053084|388.023441| |17.537094|8.774005|6.776285|4.506228|5.025839|2.944525|4.833633|2.544750|2.983744|1.934116|1.792912|1.612830|2.206298|2.444707|1.811133|1.791629|1.761878|1.748239|1.766610|1.797646|1.765716|1.670358|1.445052|1.440084|1.343939|1.376358|1.858755|0.057608|12.666845|1.873937|2.172977|4.281177|1.739058|1.577223|1.513489|1.602072|12.916765|0.500000| |17.538296|8.774490|6.779507|4.506913|5.026226|2.981809|4.958756|2.560356|2.965773|1.956258|1.817982|1.649051|2.263176|2.494890|1.849731|1.795480|1.765340|1.782701|1.836010|1.871993|1.875810|1.700920|1.480204|1.491093|1.381189|1.391641|1.865734|0.057860|12.374191|1.812075|2.099236|4.030759|1.761590|1.587972|1.537301|1.649645|13.386048|0.301599|0.500000| |17.554207|8.780216|5.459702|4.050999|4.383993|2.681242|4.587842|2.288320|2.732401|1.808599|1.709448|1.545206|2.092767|2.284375|1.669352|1.628589|1.588135|1.583120|1.620912|1.665371|1.668108|1.507829|1.400816|1.416454|1.299817|1.333450|1.789326|0.055306|12.057177|1.736847|1.979460|3.822123|1.711578|1.561224|1.522087|1.627664|12.987903|0.301741|0.301714|0.500000| |8.861887|17.519192|8.856723|6.900961|6.319040|3.684634|6.321333|2.934108|3.473657|2.227917|2.099723|1.839335|2.458354|2.722524|1.950997|1.901423|1.811874|1.767875|1.808812|1.898826|1.886224|1.643928|1.639971|1.650289|1.491033|1.567779|2.259726|0.071878|15.279396|2.194544|2.564828|5.094369|2.130240|1.911824|1.836252|1.963597|16.052254|0.210737|0.172966|0.212895|0.500000| |8.861482|17.518358|8.862273|6.902634|6.319299|3.757691|6.606565|2.957774|3.445481|2.261613|2.139936|1.893134|2.537081|2.791710|1.999043|1.905931|1.815551|1.803192|1.882845|1.986295|2.021042|1.672754|1.691456|1.727701|1.541956|1.590277|2.272154|0.072364|14.777083|2.097612|2.446690|4.689570|2.171699|1.930891|1.878907|2.052472|16.972966|0.172955|0.210726|0.212888|0.303939|0.500000| |6.856445|8.834243|17.520754|8.892594|9.697612|4.912378|7.583543|3.923434|4.190727|2.660372|2.391808|2.113686|2.920759|3.326887|2.466422|2.359635|2.278558|2.286759|2.385066|2.481201|2.467643|2.110963|1.836423|1.832666|1.691031|1.700405|2.432662|0.077867|15.694905|2.350289|2.869238|5.552820|2.220704|1.938167|1.836009|1.980776|16.826809|0.168702|0.203331|0.140217|0.173506|0.211476|0.500000| |6.883966|8.864563|17.484045|8.861547|9.658121|4.739381|7.145336|3.859506|4.233831|2.601783|2.332760|2.036976|2.798700|3.206736|2.374244|2.347748|2.268333|2.213159|2.236658|2.313290|2.230275|2.051678|1.769113|1.739200|1.622832|1.671306|2.414232|0.077148|16.282227|2.485939|3.060184|6.252756|2.173990|1.917073|1.794653|1.898897|15.910980|0.204244|0.169263|0.140628|0.212016|0.173809|0.303048|0.500000| |4.536226|6.872655|8.822697|17.532803|12.380913|6.710566|11.256165|4.533186|5.189507|3.130686|2.891841|2.407607|3.181397|3.630343|2.532834|2.444788|2.248382|2.142192|2.203819|2.387948|2.345650|1.923233|2.072085|2.059656|1.835941|1.970524|3.198691|0.108085|21.238818|3.087889|3.863324|7.950094|2.876554|2.474778|2.295311|2.453264|21.239295|0.119530|0.111281|0.108723|0.207621|0.171798|0.173621|0.210536|0.500000| |4.516865|6.808683|8.831818|17.628449|12.603363|7.281645|13.259682|4.668767|5.132622|3.244945|3.012055|2.541852|3.373121|3.821013|2.656922|2.468773|2.268257|2.218550|2.355778|2.585177|2.636618|1.980064|2.185087|2.221145|1.939309|2.020356|3.242964|0.110096|19.990459|2.844517|3.510204|6.663398|2.984105|2.517338|2.378938|2.630847|23.518740|0.110923|0.119360|0.108135|0.169638|0.205166|0.212758|0.173499|0.303432|0.500000| |3.762335|4.660549|7.288208|9.066072|26.051837|9.490087|10.951323|7.524639|6.905138|3.831533|3.202369|2.691734|3.753568|4.559490|3.383699|3.328608|3.097622|2.936563|2.978849|3.180847|2.959695|2.580990|2.228712|2.137961|2.016477|2.073860|3.223095|0.106378|21.207821|3.445382|4.734847|9.901516|2.719682|2.312520|2.091940|2.200431|19.268259|0.105297|0.101412|0.087429|0.121187|0.115401|0.188317|0.216258|0.202807|0.180960|0.500000| |2.483234|2.887003|3.666334|4.460177|8.834002|9.002390|12.082999|17.630287|12.545653|7.455053|5.148028|4.299925|6.469204|9.124513|6.738250|5.486858|4.516799|4.301858|4.857909|6.121637|5.522913|3.341942|3.223695|2.989749|2.896953|2.793224|4.360345|0.139942|25.228030|4.199440|5.778480|9.162346|3.436673|2.782793|2.447603|2.583494|23.837870|0.067385|0.069777|0.061313|0.075564|0.078951|0.106123|0.098075|0.108716|0.120807|0.170684|0.500000| |2.627318|3.049523|3.987816|4.789279|10.204462|8.775724|10.450475|17.637851|12.490767|5.852092|4.249508|3.508578|5.123585|6.907488|5.333461|5.381533|4.628291|4.084385|4.077086|4.549133|3.851260|3.300283|2.738827|2.504656|2.476927|2.512801|3.904939|0.125085|25.520945|4.653942|7.201542|13.291601|3.058925|2.558614|2.235478|2.303494|20.418804|0.073435|0.072316|0.064167|0.081450|0.079938|0.110304|0.114106|0.121373|0.117652|0.239468|0.302755|0.500000| |1.753156|1.935094|2.270279|2.548775|4.272656|3.632504|5.806577|5.050707|8.427535|6.190786|4.589964|4.403349|7.281969|9.888678|8.958013|17.732191|8.915914|5.642032|4.988522|5.632909|4.083521|4.087564|3.396653|2.780186|3.262792|3.183108|3.662987|0.099721|25.918728|5.165323|5.522286|8.152852|2.873491|2.529039|2.155735|2.118567|17.738805|0.049087|0.048532|0.044606|0.052758|0.052074|0.063234|0.064383|0.068596|0.067476|0.090984|0.137048|0.146273|0.500000| |1.684631|1.803179|2.106713|2.242902|3.676924|2.885283|4.538774|3.725439|5.167674|3.640284|2.958710|2.933467|4.739902|5.698694|5.651394|8.940616|17.713856|8.904976|5.659127|4.920254|3.539559|6.962391|2.463844|2.131320|2.486999|2.308294|2.530176|0.070715|17.811101|3.196513|3.497179|5.852549|2.125920|1.917170|1.700260|1.692929|13.831982|0.047746|0.047219|0.042775|0.048624|0.048071|0.059814|0.060817|0.059542|0.058844|0.080989|0.105777|0.115955|0.215683|0.500000| |1.743776|1.856879|2.157900|2.269445|3.651113|2.872407|4.659406|3.493293|4.403025|3.399430|2.869897|3.015771|5.072127|5.683989|5.677972|4.985368|5.673237|8.938202|17.694183|8.972077|7.075828|7.056136|2.582032|2.367059|2.710215|2.224015|2.394864|0.067858|15.139094|2.420245|2.695407|4.445364|2.111677|1.872010|1.719462|1.779530|14.766019|0.047978|0.050493|0.044292|0.048476|0.051051|0.064475|0.059432|0.057626|0.062451|0.076220|0.116044|0.097278|0.108095|0.124356|0.500000| |1.663323|1.824288|2.080739|2.304965|3.646619|3.098197|5.430557|3.664072|5.076217|4.609646|4.186360|5.019936|9.253202|8.471566|6.482498|4.520847|3.966935|4.342901|6.047230|8.865467|17.586901|3.404454|4.233940|3.876004|4.608732|3.224526|3.204896|0.087270|18.592098|2.793692|2.981297|4.633593|2.870337|2.489619|2.274206|2.377602|20.190783|0.044912|0.047488|0.042798|0.048214|0.051416|0.060818|0.055633|0.059325|0.065942|0.071868|0.123045|0.091509|0.106166|0.090346|0.159768|0.500000| |1.954332|2.185722|2.553866|2.899387|4.731044|4.169290|7.258379|4.974853|6.404957|5.677214|4.829046|5.085059|8.533060|9.471143|6.832083|4.623416|3.952876|4.224169|5.758500|8.823683|17.568985|3.288823|3.962208|3.781910|3.817898|3.087455|3.727115|0.106895|20.603075|3.104655|3.518971|5.466537|3.249836|2.700348|2.454623|2.630070|23.626792|0.052331|0.055930|0.049720|0.057152|0.061895|0.075437|0.067188|0.072821|0.084003|0.090931|0.185259|0.116955|0.109366|0.090080|0.148523|0.303576|0.500000| |1.818139|1.976168|2.281877|2.470910|3.934105|3.223693|5.463992|3.768342|4.762171|3.921356|3.422305|3.686209|6.176011|6.553927|5.576032|4.184983|3.982109|4.762902|7.291079|8.884192|17.585304|3.834414|3.132284|2.989897|3.244354|2.546556|2.793059|0.079324|16.537489|2.520265|2.803091|4.516596|2.508302|2.176002|2.017531|2.138509|18.207070|0.048991|0.052705|0.046379|0.051347|0.055633|0.068461|0.060826|0.062102|0.070560|0.078185|0.132151|0.096417|0.096244|0.090599|0.225786|0.300868|0.301254|0.500000| |1.513884|1.581501|1.806924|1.862992|2.933666|2.244456|3.637978|2.682206|3.530395|2.630023|2.275141|2.368592|3.828260|4.196434|3.985307|4.378130|6.056234|8.853422|6.503453|4.517367|3.575181|17.538113|2.099629|1.890290|2.225617|1.912158|1.964353|0.054907|13.231780|2.161248|2.327633|3.934296|1.739099|1.586539|1.454182|1.472006|11.834804|0.042479|0.043370|0.038747|0.041946|0.042795|0.052806|0.051185|0.048584|0.050154|0.062995|0.081209|0.078741|0.101652|0.158725|0.180116|0.092523|0.085113|0.101324|0.500000| |1.720269|1.788086|2.074867|2.106245|3.353390|2.507565|3.977081|2.993687|3.738582|2.694125|2.292277|2.318007|3.693298|4.183152|3.972391|4.243110|5.736943|8.836793|6.932941|4.650954|3.720299|17.559753|2.023005|1.854548|2.086416|1.832293|2.003697|0.057178|13.348698|2.182562|2.433916|4.191326|1.768315|1.595481|1.467341|1.501372|12.218494|0.048374|0.049761|0.043572|0.046872|0.048118|0.061640|0.059020|0.054064|0.056298|0.073028|0.092004|0.089765|0.097833|0.146306|0.204206|0.091212|0.090695|0.109036|0.302232|0.500000| |1.636687|1.707357|1.974841|2.022558|3.226019|2.427121|3.844419|2.939777|3.808527|2.710531|2.298987|2.312003|3.667119|4.178790|3.962137|4.733419|7.196716|8.836473|5.590330|4.156017|3.222187|17.580255|2.016208|1.812955|2.073873|1.866723|2.016293|0.057023|13.854830|2.326081|2.556791|4.417606|1.760418|1.600568|1.457227|1.471241|11.888651|0.046463|0.046664|0.041588|0.045396|0.045580|0.057394|0.056969|0.052873|0.053432|0.071074|0.086641|0.090194|0.112419|0.218576|0.141814|0.081481|0.080232|0.089163|0.301938|0.301594|0.500000| |1.542299|1.728276|1.891855|2.172261|3.231594|2.818704|5.549829|2.958095|4.484418|4.225740|5.290271|6.906602|7.587685|5.890660|3.440843|2.827471|2.412129|2.367821|2.705383|3.336541|3.952711|2.013393|8.764554|17.550138|6.906726|5.479336|4.423345|0.109073|23.136336|2.926732|2.858103|4.373639|4.779714|4.223731|3.979314|4.218074|34.485716|0.041131|0.043060|0.040538|0.046878|0.049772|0.053253|0.049698|0.058239|0.064244|0.061166|0.088069|0.071336|0.076611|0.059971|0.071127|0.125319|0.122363|0.094808|0.054696|0.054099|0.051944|0.500000| |1.381750|1.536408|1.659015|1.885289|2.763611|2.360912|4.604296|2.465112|3.794196|3.443380|4.328893|5.488383|5.980453|4.732021|2.848936|2.465207|2.129948|2.061538|2.278432|2.702723|3.008893|1.786207|8.818919|17.537558|7.176762|6.836152|3.898272|0.093155|22.288412|2.731319|2.547132|3.936322|4.421639|4.427984|4.263631|4.141376|29.444975|0.037055|0.038337|0.036597|0.042128|0.044026|0.046224|0.044000|0.051440|0.055113|0.052937|0.071142|0.061003|0.068526|0.054109|0.059905|0.094135|0.088986|0.074033|0.048980|0.047655|0.046691|0.301443|0.500000| |1.553480|1.758104|1.908329|2.225848|3.265905|2.871499|5.826230|2.930408|4.602303|4.239756|5.881574|6.664698|6.479700|5.370627|3.083835|2.644541|2.240958|2.142036|2.364719|2.853498|3.157219|1.835789|8.692886|17.662623|5.524266|6.870650|5.656452|0.129448|28.599429|3.281590|3.071771|4.671666|7.268154|6.722681|6.110689|6.079423|46.674502|0.041476|0.042841|0.041011|0.048393|0.050581|0.052716|0.050200|0.061049|0.065737|0.061444|0.083309|0.070571|0.074271|0.056765|0.061463|0.094599|0.097914|0.076667|0.049505|0.049180|0.048209|0.301741|0.302787|0.500000| |1.353399|1.486638|1.645600|1.843980|2.819512|2.402788|4.384311|2.744561|4.383481|4.153807|4.614025|6.904141|9.945118|6.747648|4.160954|3.626133|3.029828|2.845124|3.097289|3.729396|3.771307|2.379354|8.713296|5.522862|17.594470|6.938838|3.550650|0.085777|22.416767|3.176064|2.900022|4.368028|3.279274|3.098289|2.707331|2.590144|20.180882|0.036913|0.037687|0.035425|0.040602|0.041630|0.046131|0.044698|0.049969|0.052087|0.055869|0.080030|0.069988|0.100868|0.075794|0.078051|0.124227|0.101162|0.088459|0.066407|0.060919|0.061707|0.140912|0.144191|0.122441|0.500000| |1.289401|1.415563|1.543937|1.726845|2.580942|2.180583|4.073480|2.386908|3.710099|3.400468|3.962022|5.525760|6.920788|5.111358|3.182351|2.786265|2.408789|2.319459|2.543094|2.994986|3.208730|1.998483|8.850721|7.069164|17.540104|7.081614|3.291797|0.079565|20.363027|2.705889|2.489238|3.827852|3.299317|3.239612|2.952180|2.818855|20.972918|0.034947|0.035903|0.033997|0.038714|0.040016|0.043246|0.041576|0.046933|0.049431|0.050569|0.069417|0.060508|0.077217|0.061080|0.066191|0.105000|0.088821|0.078009|0.055816|0.052265|0.051996|0.170556|0.219722|0.144240|0.301004|0.500000| |1.403883|1.544679|1.707309|1.913758|2.910344|2.486246|4.601397|2.785206|4.271218|4.066045|4.536446|6.829253|9.872787|6.613322|4.081478|3.339686|2.846905|2.800452|3.212180|3.970787|4.501433|2.348037|8.719694|6.988355|17.589768|5.518843|3.496705|0.086710|20.537443|2.840991|2.727726|4.158719|3.352320|3.083531|2.795079|2.786971|22.080619|0.037960|0.039362|0.036751|0.041824|0.043706|0.048356|0.045793|0.051200|0.054950|0.056898|0.083854|0.069695|0.088896|0.069961|0.083327|0.160444|0.122222|0.105035|0.065389|0.061481|0.059807|0.206969|0.178052|0.140935|0.302496|0.301214|0.500000| |1.462671|1.645301|1.796483|2.085205|3.107818|2.715322|5.276656|2.893744|4.891959|4.469277|6.287979|6.895309|6.595796|5.556775|3.169623|2.887202|2.394817|2.188294|2.312014|2.739320|2.774159|1.870067|8.709939|6.748949|5.517980|17.635854|6.152335|0.126916|39.996507|4.314583|3.529779|5.214699|6.403782|6.974916|5.012283|4.161780|30.775077|0.039700|0.039948|0.038547|0.045931|0.046312|0.048916|0.048419|0.058477|0.059385|0.060055|0.078690|0.071798|0.085883|0.061950|0.058592|0.081949|0.082146|0.066925|0.050452|0.049044|0.050023|0.139109|0.164955|0.200611|0.141286|0.143096|0.122462|0.500000| |1.314444|1.457532|1.579538|1.793283|2.653291|2.260314|4.309569|2.420342|3.905883|3.512613|4.440882|5.519131|5.932277|4.764460|2.861152|2.605916|2.220453|2.068944|2.197296|2.563682|2.638746|1.791336|8.792332|6.955426|6.996747|17.538429|4.054733|0.092198|26.513142|3.206643|2.760775|4.207625|4.270903|4.626794|3.958770|3.438160|24.281111|0.035685|0.036151|0.034780|0.040438|0.041114|0.043459|0.042624|0.049788|0.051161|0.051723|0.067536|0.061153|0.075718|0.057522|0.056470|0.080558|0.075907|0.064463|0.049156|0.046916|0.047636|0.141066|0.207101|0.173729|0.171351|0.214179|0.142301|0.302100|0.500000| |1.380558|1.533499|1.686433|1.923070|2.910317|2.507244|4.677527|2.791371|4.717201|4.363645|5.443690|6.916191|7.515348|5.992908|3.500095|3.248504|2.673359|2.409600|2.516735|2.968688|2.912086|2.044982|8.764255|5.480649|7.028010|17.546173|4.594181|0.102474|31.927070|4.117396|3.364784|4.967499|4.248991|4.276632|3.437498|3.052285|23.091623|0.037740|0.037911|0.036268|0.042566|0.042810|0.046303|0.045949|0.053422|0.054042|0.057357|0.076984|0.070895|0.097645|0.069219|0.063066|0.087875|0.082801|0.069668|0.055788|0.052726|0.054650|0.122624|0.140902|0.139472|0.210016|0.175533|0.142069|0.302074|0.301273|0.500000| |1.832206|2.087572|2.371819|2.801408|4.397526|3.779339|6.568832|4.237236|7.810242|4.962094|4.714003|3.758619|4.780459|5.445849|3.496273|3.737573|3.076414|2.576798|2.500707|2.808826|2.524378|2.200356|3.120158|2.694281|2.666933|3.339499|5.106281|0.137147|57.495164|17.640777|9.067692|13.629990|3.821325|3.466028|2.768821|2.583412|21.163175|0.051318|0.048861|0.047305|0.059739|0.055983|0.062087|0.067260|0.082270|0.073434|0.089986|0.099065|0.115130|0.126283|0.084322|0.061218|0.067688|0.074108|0.062194|0.056691|0.057174|0.061829|0.070101|0.066828|0.078298|0.077216|0.066738|0.068820|0.102543|0.079202|0.099396|0.500000| |1.745290|1.976867|2.262973|2.663077|4.283807|3.829978|6.690460|4.665312|9.680672|7.292011|6.746554|5.375203|6.871821|7.953749|4.703459|4.939511|3.726954|3.047433|3.001394|3.517611|3.097506|2.500871|4.126652|3.307090|3.465810|4.351112|6.062176|0.149277|56.126551|17.625879|8.833998|10.734607|4.232608|3.721701|2.915689|2.729186|22.841317|0.048459|0.047279|0.044972|0.055416|0.053682|0.060763|0.063232|0.075290|0.071386|0.086725|0.114168|0.121340|0.176290|0.098430|0.071766|0.084204|0.090303|0.073812|0.064750|0.063939|0.068971|0.085321|0.080147|0.093428|0.102856|0.083531|0.087886|0.129358|0.097771|0.135107|0.300633|0.500000| |1.548086|1.764692|1.891956|2.229081|3.206787|2.773056|5.602309|2.756209|4.510831|3.703423|4.877645|4.330418|4.580327|4.299853|2.566267|2.390233|2.036855|1.874335|1.961218|2.267374|2.303299|1.633456|4.523190|4.525939|3.366008|5.552256|6.492732|0.140204|47.091170|4.142578|3.452789|5.334999|8.909113|17.757363|8.610847|5.740987|37.726651|0.041831|0.041729|0.041117|0.050113|0.049938|0.050525|0.050661|0.064284|0.063951|0.061034|0.072570|0.068452|0.071061|0.053489|0.050325|0.065577|0.069627|0.057115|0.043635|0.043480|0.044160|0.104330|0.114448|0.155293|0.087317|0.089959|0.082918|0.223564|0.138936|0.131535|0.103056|0.109796|0.500000| |1.465087|1.658895|1.728658|1.999578|2.768263|2.314711|4.723674|2.216513|3.373550|2.707738|3.319549|3.139537|3.522293|3.293564|2.050013|1.891148|1.664439|1.577939|1.670677|1.899563|1.995614|1.402566|3.426450|3.965778|2.757418|3.733264|4.000669|0.099399|25.785579|2.718312|2.487518|4.030859|5.713901|8.588817|17.746365|8.911258|37.739700|0.039124|0.039618|0.039461|0.046998|0.047854|0.046443|0.045626|0.057279|0.058805|0.052240|0.059883|0.055464|0.054502|0.043709|0.043893|0.057023|0.060424|0.050810|0.037716|0.037868|0.037731|0.096111|0.108174|0.138365|0.069531|0.076918|0.070921|0.123742|0.104314|0.088300|0.069731|0.072523|0.202392|0.500000| 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