Version2.0 2020-02-18T00:53:01Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 02-Jan-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c2c(c(cnc2n(n1)C)C(=O)N3C[C@H](C4(C3)CC[NH2+]CC4)C(=O)N[C@@H](C)CCCC(C)(C)O)Cl C39632078 RHF 6-31G(d) (6D,7F) Cc1c2c(c(cnc2n(n1)C)C(=O)N3C[C@H](C4(C3)CC[NH2+]CC4)C(=O)N[C@@H](C)CCCC(C)(C)O)Cl C01[X(C26H40Cl1N6O3)] 222 C1 624 C[C@H](NC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1cnc2c(c1Cl)c(C)nn2C)CCCC(O)(C)C C[C@H](NC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1cnc2c(c1Cl)c(C)nn2C)CCCC(O)(C)C C[C@@H](CCCC(C)(C)O)NC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)c3cnc4n(C)nc(C)c4c3Cl InChIKey=HVLWQUQKJQJKTF-LPHOPBHVSA-O InChI=1S/C26H39ClN6O3/c1-16(7-6-8-25(3,4)36)30-23(34)19-14-33(15-26(19)9-11-28-12-10-26)24(35)18-13-29-22-20(21(18)27)17(2)31-32(22)5/h13,16,19,28,36H,6-12,14-15H2,1-5H3,(H,30,34)/p+1/t16-,19-/m0/s1 InChI=1/C26H39ClN6O3/c1-16(7-6-8-25(3,4)36)30-23(34)19-14-33(15-26(19)9-11-28-12-10-26)24(35)18-13-29-22-20(21(18)27)17(2)31-32(22)5/h13,16,19,28,36H,6-12,14-15H2,1-5H3,(H,30,34)/p+1/t16-,19-/m0/s1/fC26H40ClN6O3/h28,30H/q+1 Cc1c2c(c(cnc2n(n1)C)C(=O)N3C[C@H](C4(C3)CC[NH2+]CC4)C(=O)N[C@@H](C)CCCC(C)(C)O)Cl C01[X(C26H40Cl1N6O3)] 222 C01 624 C[C@H](NC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1cnc2c(c1Cl)c(C)nn2C)CCCC(O)(C)C C[C@H](NC(=O)[C@@H]1CN(CC21CC[NH2]CC2)C(=O)c1cnc2c(c1Cl)c(C)nn2C)CCCC(O)(C)C C[C@@H](CCCC(C)(C)O)NC(=O)[C@@H]1CN(CC12CC[NH2]CC2)C(=O)c3cnc4n(C)nc(C)c4c3Cl InChIKey=KEAOMGGBDJASJK-LPHOPBHVSA-N InChI=1S/C26H40ClN6O3/c1-16(7-6-8-25(3,4)36)30-23(34)19-14-33(15-26(19)9-11-28-12-10-26)24(35)18-13-29-22-20(21(18)27)17(2)31-32(22)5/h13,16,19,36H,6-12,14-15,28H2,1-5H3,(H,30,34)/t16-,19-/m0/s1 InChI=1/C26H40ClN6O3/c1-16(7-6-8-25(3,4)36)30-23(34)19-14-33(15-26(19)9-11-28-12-10-26)24(35)18-13-29-22-20(21(18)27)17(2)31-32(22)5/h13,16,19,36H,6-12,14-15,28H2,1-5H3,(H,30,34)/t16-,19-/m0/s1/f/h30H 4261.3961263856 -2018.4519836 1-A 24675.0047 139 485 624 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.92337 -20.63015 -20.62016 -20.61001 -15.85754 -15.70857 -15.68806 -15.68127 -15.66801 -15.65294 -11.45614 -11.44764 -11.44603 -11.44023 -11.42381 -11.39309 -11.38208 -11.37870 -11.37745 -11.37637 -11.37276 -11.36518 -11.36360 -11.34772 -11.34657 -11.34283 -11.33848 -11.32777 -11.32334 -11.29792 -11.29113 -11.29056 -11.28424 -11.27892 -11.27242 -11.26709 -10.65675 -8.12617 -8.12277 -8.12256 -1.50016 -1.49142 -1.48974 -1.47403 -1.42195 -1.37204 -1.36006 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1621.71 1624.78 1632.71 1638.36 1642.66 1669.10 1686.02 1710.93 1735.28 1748.25 1764.23 1776.36 1809.52 1817.71 1824.01 1841.71 1852.47 1876.85 1882.06 1900.60 1906.47 1907.16 1919.09 1931.51 1953.96 1978.53 1992.00 1998.23 2023.57 2037.02 2067.47 2074.39 2083.06 2085.18 2101.65 2107.78 2125.94 2131.50 2150.42 2158.98 2169.54 2176.78 2180.33 2209.64 2219.18 2224.55 2233.65 2239.29 2243.38 2248.23 2252.35 2253.64 2260.60 2261.69 2267.89 2277.29 2296.18 2321.76 2335.49 2338.50 2344.29 2347.17 2347.33 2348.52 2348.92 2353.43 2356.65 2362.35 2365.05 2368.72 2371.46 2372.40 2380.67 2381.55 2386.42 2398.07 2405.60 2423.97 2467.82 2515.69 2556.19 2578.83 2629.31 2754.86 2758.64 4560.13 4597.80 4599.09 4602.02 4609.36 4611.18 4612.72 4620.45 4637.83 4655.77 4661.02 4662.65 4670.58 4683.61 4696.98 4698.82 4699.28 4709.31 4711.02 4721.24 4722.74 4727.75 4728.50 4731.22 4732.40 4743.39 4767.97 4774.06 4775.70 4785.92 4787.53 4805.00 4826.84 4830.22 4850.44 4868.89 5279.60 5371.00 5577.44 5894.83 0.707494 0.742467 0.743411 0.635209 -2017.744490 -2017.709517 -2017.708572 -2017.816775 3.629146D-04 MUNgauss RevisionA2.0 retrievium 18-Feb-2020 DUDE Cc1c2c(c(cnc2n(n1)C)C(=O)N3C[C@H](C4(C3)CC[NH2+]CC4)C(=O)N[C@@H](C)CCCC(C)(C)O)Cl C39632078 RHF 6-31G(d) (6D,10F) C1 519.285042 |X|Y|Z| 100.832792 115.157275 35.303644 74.285532 20 6 7 15 5 |36.858105| |12.721451|36.858105| |7.153146|13.201294|36.858105| |5.513644|7.190679|13.744631|36.858105| |3.968155|5.000065|8.000023|13.733214|36.858105| |3.550622|4.663583|7.039844|7.940993|13.479082|36.858105| |3.818295|5.372656|7.805650|6.736414|7.879529|14.624763|53.358707| |5.120364|8.484012|13.558843|8.004522|7.100778|8.600548|19.509190|36.858105| |5.326400|8.874286|8.656728|5.460002|4.761104|5.452836|10.892048|14.278623|53.358707| |7.851255|14.796256|8.554316|5.284829|4.217537|4.334693|7.413379|8.612739|19.204776|53.358707| |3.937652|5.429614|5.259859|3.932218|3.705770|4.407688|8.540409|7.597007|17.938847|10.697992|36.858105| |3.198367|3.691131|5.037051|7.505629|12.748099|7.622891|6.943835|4.568989|4.721520|4.341740|2.886684|36.858105| |3.077875|3.401495|4.394149|6.302160|8.050190|5.479560|5.590784|3.869204|4.183024|3.971682|2.583677|15.844727|73.516695| |2.706578|3.091359|4.004496|5.251494|7.830230|6.467726|6.141980|3.876049|4.157721|3.776667|2.645823|13.884000|15.065921|53.358707| |2.649601|3.033540|3.845271|4.736055|6.385437|5.877412|6.008399|3.808219|4.161496|3.764388|2.679522|7.604232|9.592990|17.744827|36.858105| |2.306141|2.530898|3.038878|3.645160|4.395791|3.980776|4.417289|2.941214|3.373079|3.147845|2.213365|5.386957|7.958446|10.762071|12.151923|36.858105| |2.371997|2.562699|3.022865|3.590921|4.088241|3.636617|4.168411|2.866929|3.332581|3.164583|2.174900|4.726454|7.180504|8.222646|8.703879|17.569398|0.500000| |2.224645|2.397396|2.862758|3.518215|4.210649|3.644861|4.016068|2.710501|3.118206|2.949470|2.039306|5.767649|9.428424|11.043299|7.704495|12.206209|0.242352|36.858105| |2.303684|2.540551|3.117259|3.894795|5.046775|4.404440|4.616783|3.007740|3.384195|3.137925|2.209732|7.843996|12.487961|17.922361|8.104355|7.965593|0.161162|12.367754|36.858105| |2.423702|2.540891|2.999923|3.778271|4.220843|3.432015|3.854277|2.713854|3.138779|3.049924|2.016629|5.673241|10.099211|8.692856|5.904871|7.574606|0.209889|12.322367|7.466926|36.858105| |2.261793|2.325471|2.689279|3.336347|3.622162|2.977705|3.407194|2.424432|2.846510|2.795605|1.840939|4.817019|9.772406|6.718284|4.228348|4.882605|0.131539|7.435247|6.079202|12.526331|36.858105| |1.920022|1.973159|2.240303|2.671049|2.909571|2.519750|2.940906|2.073521|2.477458|2.421981|1.635011|3.691244|7.173466|5.423239|3.578968|4.335029|0.115377|6.452790|5.158749|7.705610|12.619766|53.358707| |1.831398|1.867875|2.099180|2.477055|2.663980|2.323559|2.741248|1.943294|2.340373|2.298483|1.550502|3.318559|6.612306|4.715864|3.077244|3.556203|0.094857|4.925288|4.346442|5.685631|9.159782|25.688167|0.500000| |1.857752|1.894121|2.125434|2.500938|2.678519|2.339302|2.767726|1.966324|2.370638|2.330488|1.569394|3.281337|6.199292|4.826490|3.349313|4.168960|0.116061|5.726873|4.360023|7.013409|9.200664|25.685129|0.328536|0.500000| |1.809554|1.894555|2.168841|2.558260|2.883064|2.578847|2.988930|2.058883|2.453433|2.359153|1.637940|3.682502|6.868649|5.806285|3.844650|4.805784|0.119287|7.502158|6.090458|6.533582|7.549850|17.194265|0.254646|0.255802|36.858105| |1.893408|2.009767|2.326849|2.747889|3.163961|2.860306|3.281009|2.230984|2.637337|2.510516|1.760249|4.029616|6.987037|6.937271|4.971297|7.259584|0.168379|12.385257|7.431192|7.649805|6.457135|10.398725|0.157149|0.193548|12.492476|36.858105| |1.994318|2.188635|2.563999|2.928978|3.470799|3.384261|3.909012|2.568527|3.021691|2.795516|2.043688|4.001813|6.122428|7.493123|7.568703|12.477581|0.246242|7.360792|5.884286|4.956960|3.738582|4.952864|0.085558|0.098963|4.294955|6.484540|36.858105| |1.858179|2.044311|2.389756|2.709346|3.247839|3.246064|3.750750|2.428289|2.867721|2.634518|1.963356|3.790101|5.912762|7.091432|6.219687|8.009897|0.163637|6.486134|5.997818|4.312956|3.499667|4.790964|0.084373|0.093486|4.396664|6.396339|15.781601|73.516695| |1.907809|2.077360|2.380303|2.644512|3.013713|2.974811|3.573417|2.391685|2.874109|2.678073|1.964285|3.289076|5.106957|5.669252|5.639566|7.838542|0.211683|5.163143|4.216102|4.060072|3.154028|4.214275|0.074157|0.087044|3.489422|4.841152|14.234230|15.090089|53.358707| |1.690660|1.834942|2.065358|2.238724|2.516661|2.549617|3.147675|2.107347|2.583751|2.404119|1.803721|2.688941|4.260215|4.462457|4.102039|4.975964|0.133487|3.828671|3.349551|3.131671|2.588373|3.549914|0.064098|0.073479|2.956762|3.843874|7.708474|11.993351|17.676214|36.858105| |1.664606|1.822606|2.063212|2.229762|2.545212|2.633369|3.243901|2.135454|2.611484|2.403660|1.837672|2.721902|4.295146|4.565318|4.118636|4.717273|0.119487|3.728778|3.435436|2.981042|2.504237|3.434180|0.062521|0.069822|2.912474|3.735874|7.429821|13.640796|12.652170|17.625134|0.500000| |1.532500|1.637869|1.821438|1.977713|2.189994|2.180794|2.702661|1.835448|2.270011|2.139040|1.585657|2.373045|3.870337|3.850979|3.331572|4.142479|0.113106|3.512710|3.013937|2.940375|2.509703|3.580059|0.065002|0.075487|3.008838|3.831212|5.815933|9.794177|10.533705|12.466688|0.247555|36.858105| |1.675443|1.816933|2.014044|2.133421|2.346354|2.405747|3.055783|2.070027|2.581020|2.406629|1.820979|2.415992|3.825818|3.862256|3.540688|3.976526|0.112505|3.104344|2.782758|2.689970|2.250020|3.032070|0.055512|0.063062|2.435659|3.019052|5.196118|8.087106|10.568246|12.445714|0.246808|7.505251|36.858105| |1.803871|1.989629|2.213258|2.304305|2.543319|2.685891|3.470262|2.325184|2.905619|2.668393|2.069584|2.534484|3.939173|4.017710|3.757220|3.858720|0.107871|2.966073|2.767146|2.591981|2.164771|2.844979|0.052389|0.058353|2.259770|2.756555|4.737266|7.453692|8.510260|7.393497|0.192176|4.857645|12.440222|36.858105| |1.717494|1.879452|2.041484|2.077417|2.232174|2.359545|3.141253|2.149348|2.755908|2.553293|1.994023|2.179752|3.436918|3.332785|2.992659|3.016889|0.086112|2.430975|2.288979|2.203879|1.880779|2.470274|0.046036|0.050906|1.926662|2.277394|3.457729|5.575513|5.814348|4.856303|0.127029|3.762349|7.517139|12.441864|36.858105| |1.771947|1.961586|2.113397|2.100021|2.241458|2.427067|3.326891|2.274748|2.966059|2.716989|2.193482|2.130845|3.349215|3.194457|2.818083|2.704016|0.076268|2.218802|2.149444|2.033048|1.753864|2.278063|0.042782|0.046540|1.764156|2.048725|2.979858|4.907411|4.683185|3.690539|0.101538|2.959358|4.843308|7.344288|12.413232|36.858105| |1.626734|1.775184|1.872338|1.842563|1.930351|2.067145|2.865487|1.999186|2.660496|2.474703|1.988272|1.834912|2.931237|2.700046|2.314082|2.247152|0.063882|1.899549|1.838005|1.772443|1.554554|2.030129|0.038434|0.041656|1.558355|1.777997|2.433201|4.049672|3.769590|2.975043|0.081117|2.528716|3.791287|4.873216|7.611804|12.447478|36.858105| |2.049467|2.302898|2.484229|2.428533|2.568394|2.807261|3.923269|2.702582|3.533551|3.210229|2.602164|2.369374|3.673236|3.502920|3.132399|2.887708|0.082293|2.342369|2.284359|2.176442|1.859529|2.368565|0.044391|0.048198|1.812042|2.102000|3.038962|4.907844|4.651135|3.400892|0.092858|2.722126|4.169392|6.078072|7.473166|12.438795|7.589151|36.858105| |1.698148|1.895611|2.059669|2.048940|2.223476|2.458439|3.370288|2.253211|2.927261|2.641941|2.195823|2.123641|3.336820|3.206127|2.784482|2.632962|0.072111|2.187810|2.167628|1.970373|1.715305|2.239723|0.042213|0.045377|1.756563|2.032536|2.957970|5.048169|4.502448|3.631870|0.105768|2.909194|4.487330|6.593247|8.111288|13.468080|7.915335|7.911412|73.516695| |5.553166|5.640480|7.053094|11.002491|6.973391|4.737047|5.687829|4.778035|5.298111|5.628774|3.013102|6.068283|10.891207|6.068736|4.018893|3.439666|0.097730|3.499755|3.647666|4.143401|3.801939|3.980059|0.075827|0.076584|2.657906|2.774161|2.722711|4.437735|3.376746|2.095215|0.057022|1.898411|1.988487|2.086884|1.895410|1.880381|1.675999|2.134255|3.223316|448.794386| |17.575079|8.893041|6.342998|5.406106|3.906544|3.408727|4.838988|4.570464|6.196048|8.252705|3.481332|3.239473|5.735096|3.660034|2.560686|2.247490|0.063729|2.219577|2.317770|2.442867|2.331857|2.678958|0.052580|0.052584|1.839242|1.896350|1.936840|3.232324|2.497448|1.626308|0.044585|1.486199|1.595377|1.700052|1.608794|1.646827|1.512641|1.877687|2.825875|47.625802|0.500000| |17.617976|9.019256|5.448160|4.272062|3.304136|3.079769|4.601180|4.415546|6.757766|10.319125|3.902439|2.727496|4.676298|3.222776|2.340076|2.062143|0.058894|1.983324|2.046650|2.136393|2.005931|2.358173|0.046113|0.046778|1.642010|1.714765|1.816265|3.023812|2.387102|1.573753|0.043084|1.431805|1.572582|1.696046|1.634958|1.699945|1.578655|1.961637|2.895294|33.912626|0.300491|0.500000| |17.571827|8.887154|6.322895|5.382261|3.897241|3.403949|4.832494|4.561785|6.192040|8.254253|3.477220|3.214832|5.477238|3.749203|2.746488|2.425197|0.070572|2.323684|2.352415|2.576784|2.376747|2.730128|0.052836|0.054362|1.872796|1.970659|2.076986|3.397616|2.724487|1.760410|0.047702|1.597058|1.749536|1.874818|1.785780|1.826801|1.676631|2.118893|3.076317|47.778068|0.302097|0.300487|0.500000| |2.958211|3.696378|5.037969|5.659403|8.891722|17.715689|12.832050|5.979544|5.914256|4.806315|3.810357|7.159978|9.242187|9.673479|6.342798|4.208974|0.102451|3.837967|4.863826|3.417032|2.965463|3.491583|0.065541|0.065751|2.704529|3.034700|3.703317|6.519845|4.321154|2.738726|0.080306|2.321446|2.539211|2.837439|2.444310|2.500012|2.105740|2.832755|4.601764|31.388954|0.079689|0.072909|0.079561|0.500000| |3.751439|4.909080|4.555794|3.503424|3.283314|3.790563|6.880259|5.960494|12.479078|9.519826|17.616459|2.620247|4.177918|3.328897|2.534047|2.127868|0.058756|1.940515|2.064378|1.923851|1.748133|2.125753|0.041081|0.041948|1.562452|1.686304|1.980839|3.359446|2.632103|1.786997|0.050282|1.569935|1.830562|2.094808|2.054040|2.291057|2.099594|2.757280|4.028429|22.395839|0.090233|0.106125|0.094462|0.092855|0.500000| |3.757695|4.917624|4.569308|3.514531|3.291779|3.798053|6.894721|5.979850|12.478678|9.520931|17.617932|2.635832|4.293922|3.267533|2.386085|2.005021|0.054633|1.879396|2.041861|1.867265|1.731365|2.102685|0.040989|0.041138|1.543604|1.639614|1.857959|3.199085|2.425030|1.646509|0.046648|1.463848|1.655065|1.857279|1.794680|1.959897|1.798779|2.275797|3.504445|22.411868|0.094744|0.106281|0.090267|0.093056|0.299868|0.500000| |3.384535|4.536347|4.815815|3.822069|3.823782|4.855290|9.848687|7.272064|12.610112|7.867204|17.661943|2.995861|4.699224|3.806421|2.839888|2.313059|0.062295|2.116711|2.323229|2.053527|1.866140|2.267824|0.043785|0.044274|1.689253|1.826394|2.160340|3.722250|2.811202|1.904703|0.054467|1.661043|1.917075|2.200228|2.102575|2.329547|2.084567|2.756294|4.223881|23.155672|0.085241|0.091162|0.085142|0.120141|0.299353|0.299494|0.500000| |3.016388|3.498128|4.520294|5.608852|7.219008|6.354855|6.658743|4.370625|4.699307|4.272403|2.945952|7.262771|9.156428|12.325076|17.653502|8.634906|0.226715|5.970022|5.910149|5.420407|3.924280|4.429424|0.078713|0.086186|3.333433|4.117986|5.836301|8.455445|6.787075|3.721285|0.101151|3.039991|3.402457|3.709854|3.045082|2.914689|2.399101|3.366425|4.992777|37.060914|0.079477|0.073110|0.088158|0.170753|0.077921|0.071734|0.085512|0.500000| |2.465885|2.859074|3.572564|4.144204|5.521498|5.865168|6.183455|3.742153|4.142473|3.657140|2.744785|5.973650|7.916699|12.347424|17.614332|8.688019|0.182426|5.896181|6.551245|4.510707|3.486880|4.213193|0.075435|0.080957|3.414475|4.350648|7.695599|12.142491|7.967618|4.456129|0.130429|3.463850|3.848836|4.258745|3.290437|3.127885|2.506532|3.456774|5.642367|27.432209|0.065778|0.061417|0.070073|0.192607|0.072202|0.067514|0.082696|0.302438|0.500000| |2.094924|2.321121|2.807575|3.363419|4.308482|4.078908|4.379219|2.796899|3.191938|2.926801|2.129725|5.923808|9.424935|12.505705|7.035032|7.007001|0.140731|8.853699|17.600759|5.484413|4.725650|6.036498|0.106841|0.106705|5.652550|7.034343|6.282387|13.115020|5.936267|3.578242|0.105747|3.208331|2.900479|2.873049|2.346884|2.197792|1.869861|2.296929|4.011037|24.712381|0.058253|0.052361|0.058995|0.131354|0.055373|0.054776|0.062957|0.141645|0.184036|0.500000| |2.288278|2.493394|3.033505|3.811609|4.791954|4.080925|4.344911|2.882725|3.265538|3.060949|2.127290|7.612273|14.772893|12.496703|5.800985|5.639972|0.127179|8.540742|17.708485|6.851227|6.752863|7.586750|0.135726|0.124083|6.300994|6.347582|4.454498|8.172010|4.665965|2.834533|0.080566|2.621892|2.408694|2.393687|2.028508|1.923782|1.670364|2.041998|3.451514|29.655371|0.065052|0.056410|0.064431|0.122074|0.054872|0.055293|0.061684|0.131411|0.136452|0.301060|0.500000| |2.810167|2.959180|3.574547|4.729869|5.207828|3.958803|4.378189|3.130520|3.553526|3.471527|2.232831|7.074289|12.263835|9.713467|6.451145|6.964292|0.199948|8.695682|6.882441|17.623484|9.046021|7.648020|0.127392|0.143940|4.879736|5.516490|4.500828|6.927547|5.152380|2.939937|0.078163|2.692176|2.601035|2.579902|2.215245|2.076037|1.807625|2.268025|3.560125|43.208673|0.078630|0.067527|0.083689|0.105571|0.058898|0.057091|0.062722|0.178613|0.131427|0.139404|0.177881|0.500000| |2.314079|2.391313|2.754501|3.354873|3.608777|3.024613|3.502089|2.498159|2.943905|2.887653|1.905540|4.446873|7.759326|6.733319|5.088637|6.966865|0.225655|8.808412|5.474156|17.501352|8.905227|9.453393|0.144441|0.205961|5.763671|6.938983|4.844958|7.224452|5.753262|3.239244|0.083174|3.098265|2.804795|2.646956|2.263555|2.058347|1.803982|2.192276|3.497501|29.891119|0.064205|0.057156|0.069267|0.083154|0.051097|0.048984|0.053623|0.135784|0.112265|0.123365|0.138384|0.304482|0.500000| |2.312644|2.398856|2.806403|3.525893|3.902838|3.176577|3.587069|2.533943|2.950231|2.880897|1.903469|5.442500|12.181902|7.223603|4.184224|4.475511|0.115564|6.658909|6.658116|8.769818|17.657642|12.338201|0.224081|0.180675|6.820161|5.645992|3.500046|6.017588|3.972246|2.433212|0.066629|2.335313|2.123525|2.073249|1.805470|1.703854|1.509999|1.810901|2.991806|31.762363|0.066983|0.056794|0.066451|0.088268|0.049702|0.049967|0.053764|0.106607|0.097080|0.140914|0.238876|0.214596|0.173337|0.500000| |2.309943|2.320136|2.630393|3.230862|3.346306|2.741791|3.204827|2.331412|2.770417|2.767174|1.785479|4.200246|8.577062|5.561902|3.627407|4.067286|0.114980|5.433843|4.614154|8.775913|17.627267|12.363298|0.221539|0.226312|5.565052|4.880894|3.199612|5.280113|3.822951|2.341025|0.062455|2.282778|2.080562|2.007790|1.772844|1.660489|1.486256|1.766668|2.866327|31.246565|0.066672|0.056884|0.068083|0.074372|0.047289|0.046847|0.049763|0.097602|0.084388|0.104264|0.139764|0.213991|0.215817|0.301599|0.500000| |1.824969|1.923449|2.216779|2.623983|3.001966|2.694878|3.097376|2.115535|2.508831|2.398870|1.676078|3.916329|7.506673|6.107188|3.805738|4.421150|0.106861|6.734026|6.701590|5.731304|6.876617|12.430357|0.225498|0.181349|17.634414|8.749681|3.965950|7.497263|4.341685|2.744476|0.076821|2.738251|2.283739|2.159773|1.847684|1.713927|1.513802|1.765973|3.063965|21.578277|0.051842|0.045956|0.051928|0.079342|0.044074|0.044047|0.048205|0.090798|0.095091|0.176573|0.215026|0.127686|0.133046|0.203146|0.141886|0.500000| |1.644529|1.711960|1.932287|2.234819|2.481284|2.262363|2.671006|1.847052|2.229531|2.149563|1.503119|3.050499|5.649862|4.724190|3.232686|3.983162|0.101583|5.462797|4.621520|4.913262|5.563089|12.368985|0.222472|0.225686|17.625280|8.766244|3.797045|7.022506|4.373283|2.824474|0.077186|2.980710|2.332056|2.133021|1.834511|1.672664|1.489788|1.698156|2.965314|18.612534|0.046375|0.041806|0.047231|0.065903|0.040013|0.039507|0.043034|0.079247|0.082098|0.125952|0.131257|0.107818|0.129711|0.141224|0.126510|0.301524|0.500000| |1.827716|1.921270|2.192255|2.552056|2.860468|2.598621|3.041772|2.095312|2.506321|2.404715|1.678245|3.485876|6.007778|5.778228|4.428964|6.684804|0.174404|8.773582|5.446172|6.882299|5.680299|9.348295|0.143503|0.203466|8.885170|17.499003|6.289022|10.195243|7.024812|4.081396|0.105414|4.256329|3.196898|2.827463|2.345040|2.074307|1.809438|2.112867|3.610016|20.977638|0.050577|0.046200|0.053305|0.075468|0.045062|0.043390|0.048114|0.106667|0.108782|0.143674|0.132292|0.140383|0.205439|0.131176|0.128510|0.173023|0.215333|0.500000| |1.783404|1.909765|2.207722|2.562811|2.985944|2.796217|3.225131|2.160387|2.564452|2.416409|1.732967|3.717681|6.328414|6.527837|4.754075|6.555422|0.145998|8.776476|6.890055|5.528176|4.849220|7.602628|0.126937|0.143013|8.991619|17.641784|7.050825|14.502864|6.906110|4.202073|0.117711|4.222711|3.179606|2.878397|2.346767|2.103645|1.816411|2.127227|3.767308|20.178933|0.049446|0.045166|0.051147|0.084375|0.046107|0.044860|0.050386|0.107140|0.123202|0.214576|0.160326|0.122777|0.141196|0.126507|0.107392|0.213598|0.212560|0.303934|0.500000| |1.997816|2.160451|2.459149|2.727072|3.038350|2.948065|3.575414|2.438524|2.941657|2.768915|1.994843|3.256064|5.059914|5.433341|5.471079|7.507984|0.243132|4.905688|3.912648|4.156255|3.169046|4.151041|0.072966|0.087117|3.295678|4.444233|9.444300|10.869634|26.064997|8.985867|0.182401|6.364803|7.353888|6.129533|4.398516|3.514939|2.849445|3.580372|5.761291|20.823920|0.053045|0.050940|0.058896|0.085099|0.054943|0.050088|0.057691|0.144673|0.149204|0.107515|0.089971|0.109726|0.124994|0.080230|0.079876|0.083005|0.084072|0.135432|0.122027|0.500000| |1.425113|1.521662|1.678661|1.801977|1.983766|1.997457|2.506438|1.703571|2.126887|2.003008|1.500802|2.124351|3.485943|3.390049|2.872108|3.397198|0.092368|2.961527|2.632270|2.526471|2.208534|3.154223|0.058218|0.066193|2.633322|3.214538|4.524135|8.021534|7.620490|8.810601|0.213112|17.564895|6.829629|4.556708|3.701491|2.917070|2.537002|2.607537|5.179717|13.840777|0.038391|0.037215|0.041073|0.059118|0.041389|0.038634|0.043738|0.073576|0.083996|0.078317|0.064702|0.065029|0.073205|0.057745|0.056297|0.067670|0.073341|0.096868|0.098683|0.134121|0.500000| |1.522981|1.625705|1.817476|1.994308|2.226251|2.199096|2.693730|1.823373|2.241584|2.112867|1.559378|2.465956|4.060814|4.044817|3.406439|4.349932|0.114680|3.873272|3.291665|3.148979|2.717122|3.979221|0.071876|0.083591|3.468957|4.501618|6.192483|11.232617|9.602030|8.813010|0.214444|17.571900|5.477096|4.031644|3.179600|2.612470|2.249064|2.455531|4.635706|15.451549|0.041313|0.039398|0.043961|0.065456|0.042579|0.040152|0.045399|0.084280|0.097235|0.098955|0.079514|0.078274|0.091256|0.070187|0.067682|0.086782|0.096847|0.139633|0.144236|0.156879|0.301618|0.500000| |1.532016|1.622118|1.790380|1.943474|2.119740|2.082374|2.592723|1.784826|2.217068|2.109401|1.541651|2.287741|3.757861|3.649637|3.151297|3.967354|0.113948|3.392683|2.838064|2.953344|2.516758|3.593889|0.065143|0.077357|2.937482|3.692509|5.129568|8.153072|9.425479|8.780269|0.173630|17.533122|6.809548|4.465230|3.630824|2.842739|2.474608|2.643909|4.821518|15.213250|0.041233|0.039787|0.044661|0.060641|0.042578|0.039567|0.044499|0.081797|0.088479|0.081606|0.069309|0.075002|0.088987|0.064095|0.064433|0.073109|0.081184|0.118541|0.107973|0.180175|0.301187|0.300234|0.500000| |1.534219|1.656076|1.818344|1.910910|2.088526|2.151872|2.760732|1.875364|2.362804|2.207816|1.684552|2.147817|3.445191|3.385254|2.991122|3.306272|0.092379|2.707729|2.468955|2.368129|2.029930|2.769576|0.051260|0.057620|2.229702|2.697761|4.216401|6.982135|7.693191|8.966208|0.211452|7.127922|17.544687|8.870555|6.981983|4.594875|3.782680|3.746289|7.837991|14.355577|0.040705|0.040260|0.044293|0.063188|0.047117|0.042836|0.049276|0.079678|0.090172|0.072085|0.060337|0.063424|0.068308|0.053523|0.052398|0.058387|0.060170|0.079124|0.079700|0.146671|0.213517|0.143888|0.176278|0.500000| |1.689748|1.812877|1.992301|2.111241|2.282900|2.298891|2.929893|2.019054|2.529178|2.387513|1.772114|2.345628|3.742003|3.691143|3.369036|3.863641|0.114916|3.038330|2.657737|2.716680|2.263992|3.045532|0.055662|0.064217|2.398905|2.954824|4.735455|7.118195|9.629385|8.848299|0.174065|6.802451|17.464936|8.795627|6.844265|4.476343|3.674371|3.996758|6.953797|16.071775|0.044611|0.044079|0.049452|0.066224|0.049733|0.044792|0.051265|0.092221|0.097879|0.075235|0.064443|0.073028|0.080561|0.058633|0.058799|0.061756|0.063931|0.089001|0.084160|0.216138|0.166847|0.139818|0.201928|0.304725|0.500000| |2.007575|2.233666|2.516167|2.634549|2.922918|3.078483|3.944182|2.637446|3.251068|2.974227|2.281079|2.880847|4.393311|4.598940|4.522888|4.518400|0.128511|3.308620|3.068950|2.899850|2.365921|3.047688|0.055711|0.062321|2.397717|2.956810|5.311276|7.895024|9.451304|6.714464|0.171204|4.454082|8.840705|17.534837|8.817822|6.602784|4.443225|6.675806|10.167585|18.939457|0.052238|0.052013|0.058276|0.089530|0.064055|0.056229|0.067260|0.127648|0.142843|0.086926|0.072802|0.081448|0.082087|0.062804|0.060854|0.063622|0.061907|0.083751|0.084251|0.201851|0.110988|0.106718|0.116657|0.173820|0.211066|0.500000| |1.760697|1.958840|2.192417|2.277144|2.552097|2.757340|3.563285|2.340830|2.918444|2.646194|2.101711|2.546063|3.948073|4.066103|3.734567|3.713986|0.099508|2.911195|2.805118|2.497491|2.111023|2.783332|0.051508|0.056469|2.240567|2.716067|4.653232|7.795784|7.672882|6.841336|0.209838|4.574426|8.857387|17.572854|8.877558|6.851861|4.572968|5.592732|13.483714|16.319196|0.046277|0.046029|0.050306|0.082736|0.058663|0.052480|0.062926|0.099743|0.122501|0.082753|0.067392|0.068970|0.069506|0.056875|0.054023|0.060276|0.058773|0.075801|0.080350|0.142737|0.122727|0.109346|0.111542|0.211317|0.173186|0.303741|0.500000| |1.565149|1.700813|1.836895|1.871004|2.008060|2.117232|2.817455|1.929946|2.487765|2.314137|1.811530|1.980779|3.160381|3.020436|2.647185|2.707226|0.076522|2.238526|2.113331|2.026686|1.754832|2.334756|0.043745|0.048198|1.830477|2.143945|3.142808|5.208132|5.218354|4.611994|0.122679|3.766645|7.052628|8.898948|17.539292|8.961345|7.206239|5.506297|13.103552|13.823312|0.040981|0.041556|0.045035|0.061241|0.051685|0.045753|0.053043|0.073634|0.080468|0.060702|0.052449|0.056042|0.057836|0.046857|0.045987|0.048787|0.048922|0.061489|0.061905|0.106834|0.107749|0.087669|0.100250|0.216588|0.174564|0.173919|0.210906|0.500000| |1.741722|1.885705|2.029802|2.065697|2.185547|2.269100|3.022906|2.105466|2.711389|2.546770|1.944382|2.132006|3.380413|3.224952|2.892038|2.963355|0.087092|2.394903|2.216646|2.216266|1.886664|2.471831|0.046023|0.051366|1.902800|2.241961|3.300144|5.207309|5.610320|4.486201|0.111995|3.622648|6.804509|8.826710|17.510624|8.877943|6.989493|6.834186|10.287443|15.358790|0.045185|0.046104|0.050771|0.064286|0.055947|0.048669|0.056218|0.083234|0.085764|0.062202|0.054825|0.062029|0.064141|0.049897|0.049816|0.050305|0.050366|0.064942|0.063219|0.123979|0.097487|0.084928|0.101431|0.170751|0.202969|0.212908|0.173792|0.303346|0.500000| |1.643955|1.776658|1.858361|1.828575|1.893330|1.998934|2.767284|1.958952|2.615745|2.464668|1.936866|1.799376|2.885950|2.630407|2.254876|2.212260|0.063896|1.873227|1.792267|1.770904|1.551769|2.023072|0.038288|0.041739|1.539401|1.752844|2.361832|3.880595|3.685237|2.861813|0.076239|2.468807|3.653400|4.489685|6.857206|8.754699|17.555061|6.852447|10.096560|13.510130|0.042343|0.044399|0.047426|0.055944|0.057094|0.048734|0.055703|0.065630|0.066681|0.050177|0.045364|0.050259|0.050504|0.041641|0.041464|0.041327|0.040903|0.049927|0.049297|0.079013|0.068261|0.060884|0.068462|0.099971|0.102851|0.117366|0.111766|0.175400|0.207168|0.500000| |1.628356|1.783651|1.866375|1.813092|1.889610|2.042690|2.876940|2.013392|2.716144|2.517564|2.063544|1.776801|2.843306|2.585785|2.186664|2.088333|0.059002|1.785780|1.749912|1.674511|1.479507|1.924578|0.036599|0.039326|1.472765|1.664887|2.229092|3.745153|3.370723|2.614944|0.072308|2.245016|3.187824|4.019560|5.509859|8.787883|17.523976|6.947343|12.569897|13.150463|0.041948|0.044182|0.046320|0.057585|0.061105|0.051896|0.060188|0.063202|0.065803|0.049397|0.044464|0.047711|0.047022|0.040163|0.039383|0.039988|0.039064|0.046723|0.047187|0.070399|0.062456|0.056387|0.060831|0.087927|0.085481|0.105524|0.108935|0.145219|0.141812|0.301901|0.500000| |1.497220|1.624612|1.714688|1.699262|1.786975|1.905940|2.621275|1.823044|2.419736|2.256935|1.808112|1.719506|2.766393|2.539876|2.155677|2.123717|0.060012|1.814284|1.753663|1.684918|1.488329|1.962858|0.037251|0.040334|1.514728|1.723012|2.333396|3.933295|3.620773|2.943128|0.080733|2.551270|3.761907|4.591961|6.988649|8.811696|17.572411|5.510609|12.791485|12.500196|0.038950|0.040371|0.042777|0.054329|0.052595|0.045862|0.052717|0.061190|0.064837|0.049902|0.044393|0.047315|0.047683|0.040152|0.039480|0.040850|0.040499|0.048828|0.049217|0.075017|0.072614|0.062744|0.069059|0.109304|0.100156|0.111209|0.122498|0.219531|0.172996|0.300415|0.301237|0.500000| |2.198343|2.512916|2.782134|2.745512|2.968041|3.300734|4.561758|3.062692|3.900636|3.477998|2.832152|2.719031|4.133516|4.080645|3.761698|3.349850|0.094221|2.647509|2.604740|2.423595|2.041910|2.578615|0.048047|0.052134|1.984050|2.329078|3.514952|5.623855|5.302742|3.749027|0.103748|2.905899|4.426167|6.699611|6.728887|8.777146|5.506332|17.583388|12.845948|18.943829|0.055979|0.057744|0.062993|0.093355|0.081989|0.067953|0.084538|0.113050|0.118671|0.072825|0.063816|0.070581|0.067115|0.055411|0.053415|0.053878|0.051165|0.064396|0.065578|0.112390|0.076002|0.073450|0.077376|0.106587|0.114810|0.229128|0.176922|0.138832|0.165638|0.139433|0.142277|0.123147|0.500000| |2.052751|2.320291|2.467408|2.359021|2.469454|2.738690|3.940944|2.732707|3.661906|3.303549|2.773319|2.243348|3.498193|3.255609|2.829095|2.567173|0.072495|2.134758|2.116736|2.000106|1.733052|2.203070|0.041584|0.044650|1.678796|1.918786|2.660685|4.380387|3.950348|2.884915|0.080038|2.374103|3.399339|4.610806|5.461464|8.802951|7.013820|17.530546|12.491706|16.506575|0.052013|0.055142|0.058373|0.076241|0.083155|0.067162|0.081873|0.084488|0.086371|0.059100|0.053181|0.058200|0.055543|0.047251|0.045931|0.045789|0.043761|0.053195|0.053917|0.083477|0.063726|0.060406|0.063978|0.087245|0.090554|0.136794|0.124759|0.123883|0.140606|0.172263|0.211938|0.142603|0.302248|0.500000| 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