Version2.0 2020-02-12T09:48:24Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 15-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1c(csc1Cl)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@H]4CCCN(C4)c5ncccn5 C39669491 RHF 6-31G(d) (6D,7F) COc1c(csc1Cl)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@H]4CCCN(C4)c5ncccn5 C01[X(C25H34Cl1N6O3S1)] 204 C1 616 COc1c(Cl)scc1C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NC[C@H]1CCCN(C1)c1ncccn1 COc1c(Cl)scc1C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NC[C@H]1CCCN(C1)c1ncccn1 COc1c(Cl)scc1C(=O)N2C[C@@H](C(=O)NC[C@H]3CCCN(C3)c4ncccn4)C5(CC[NH2+]CC5)C2 InChIKey=KGKFXTLQHGACKJ-MJGOQNOKSA-O InChI=1S/C25H33ClN6O3S/c1-35-20-18(15-36-21(20)26)23(34)32-14-19(25(16-32)5-9-27-10-6-25)22(33)30-12-17-4-2-11-31(13-17)24-28-7-3-8-29-24/h3,7-8,15,17,19,27H,2,4-6,9-14,16H2,1H3,(H,30,33)/p+1/t17-,19+/m1/s1 InChI=1/C25H33ClN6O3S/c1-35-20-18(15-36-21(20)26)23(34)32-14-19(25(16-32)5-9-27-10-6-25)22(33)30-12-17-4-2-11-31(13-17)24-28-7-3-8-29-24/h3,7-8,15,17,19,27H,2,4-6,9-14,16H2,1H3,(H,30,33)/p+1/t17-,19+/m1/s1/fC25H34ClN6O3S/h27,30H/q+1 COc1c(csc1Cl)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@H]4CCCN(C4)c5ncccn5 C01[X(C25H34Cl1N6O3S1)] 204 C01 616 COc1c(Cl)scc1C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NC[C@H]1CCCN(C1)c1ncccn1 COc1c(Cl)scc1C(=O)N1C[C@H](C2(C1)CC[NH2]CC2)C(=O)NC[C@H]1CCCN(C1)c1ncccn1 COc1c(Cl)scc1C(=O)N2C[C@@H](C(=O)NC[C@H]3CCCN(C3)c4ncccn4)C5(CC[NH2]CC5)C2 InChIKey=DBLFGDYINWSQAA-MJGOQNOKSA-N InChI=1S/C25H34ClN6O3S/c1-35-20-18(15-36-21(20)26)23(34)32-14-19(25(16-32)5-9-27-10-6-25)22(33)30-12-17-4-2-11-31(13-17)24-28-7-3-8-29-24/h3,7-8,15,17,19H,2,4-6,9-14,16,27H2,1H3,(H,30,33)/t17-,19+/m1/s1 InChI=1/C25H34ClN6O3S/c1-35-20-18(15-36-21(20)26)23(34)32-14-19(25(16-32)5-9-27-10-6-25)22(33)30-12-17-4-2-11-31(13-17)24-28-7-3-8-29-24/h3,7-8,15,17,19H,2,4-6,9-14,16,27H2,1H3,(H,30,33)/t17-,19+/m1/s1/f/h30H 4373.7701286864 -2374.5746725 1-A 27787.4883 141 475 616 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.90576 -92.06460 -20.66012 -20.62671 -20.61289 -15.87025 -15.68854 -15.68574 -15.65669 -15.64001 -15.63146 -11.46012 -11.45483 -11.45403 -11.44305 -11.42782 -11.39292 -11.39144 -11.38913 -11.38526 -11.38251 -11.37806 -11.37609 -11.36926 -11.36902 -11.36610 -11.36356 -11.35826 -11.34799 -11.33886 -11.33266 -11.32225 -11.31152 -11.30329 -11.29714 -11.29062 -10.63851 -9.07460 -8.10806 -8.10439 -8.10429 -6.75705 -6.75610 -6.75424 -1.50514 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 8654.9433 45753.9163 49077.5525 0.99994 -0.00961 -0.00562 0.00966 0.99990 0.00992 0.00553 -0.00997 0.99994 1 0.01001 0.00189 0.00176 0.20852 0.03944 0.03677 12.46 16.06 24.13 34.45 39.52 50.39 58.62 61.78 69.41 79.45 97.62 125.92 139.12 161.84 193.89 209.28 216.82 219.82 247.54 273.08 287.86 299.39 317.89 331.41 357.85 369.50 386.78 391.96 404.56 432.53 440.30 464.09 505.03 536.22 546.28 567.03 591.79 593.76 612.78 627.16 645.60 663.02 678.42 692.12 721.37 749.50 773.05 783.48 789.80 812.19 824.72 834.35 854.85 856.50 981.14 1010.23 1013.16 1040.59 1096.62 1121.12 1160.20 1202.17 1227.67 1237.72 1241.56 1256.61 1259.04 1280.27 1286.54 1300.11 1307.45 1321.04 1336.72 1346.82 1354.28 1365.94 1375.06 1378.40 1419.00 1449.96 1456.65 1498.37 1522.85 1523.90 1551.42 1555.90 1560.78 1575.52 1581.50 1591.73 1606.10 1631.63 1639.71 1642.54 1645.09 1657.30 1683.49 1688.23 1709.89 1721.11 1730.68 1755.62 1762.39 1779.75 1812.25 1816.42 1845.44 1850.52 1854.77 1859.47 1897.11 1900.84 1908.92 1917.45 1936.25 1942.10 1965.82 1976.58 1983.30 1993.89 2004.87 2035.16 2039.29 2057.87 2083.71 2086.38 2093.50 2103.52 2111.39 2132.08 2138.54 2169.96 2174.50 2183.28 2192.39 2207.00 2218.64 2222.21 2225.13 2234.66 2238.56 2243.86 2252.09 2259.44 2264.17 2276.67 2330.84 2332.86 2344.58 2345.44 2351.53 2355.61 2360.35 2364.45 2367.93 2370.82 2373.83 2373.86 2386.12 2398.57 2408.71 2421.22 2422.12 2487.67 2530.43 2571.48 2618.26 2629.49 2761.43 2800.52 4564.74 4584.94 4607.23 4608.07 4615.28 4616.78 4622.46 4624.30 4658.60 4663.05 4672.14 4677.35 4684.28 4686.95 4697.40 4716.78 4719.91 4731.80 4746.16 4755.55 4784.87 4789.99 4794.18 4802.33 4808.34 4813.44 4851.74 4857.49 4877.61 4921.71 4950.66 5275.31 5367.03 5583.78 0.636001 0.668037 0.668982 0.565918 -2373.938672 -2373.906635 -2373.905691 -2374.008754 3.456750D-04 MUNgauss RevisionA2.0 retrievium 12-Feb-2020 DUDE COc1c(csc1Cl)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@H]4CCCN(C4)c5ncccn5 C39669491 RHF 6-31G(d) (6D,10F) C1 533.210164 |X|Y|Z| 59.199806 40.399066 150.501217 71.133996 31 6 7 16 24 6 1 |36.858105| |13.554799|73.516695| |8.130001|25.253851|36.858105| |5.945287|13.701902|13.140387|36.858105| |4.363650|9.426788|8.215523|14.132865|36.858105| |4.020807|8.760395|7.415116|7.430723|11.088858|388.023441| |5.773125|14.306340|14.161779|8.230066|7.769955|78.305153|36.858105| |4.918164|10.877792|6.968509|4.788322|4.610423|45.222581|11.122060|448.794386| |5.448505|11.139259|7.343566|12.732879|7.574725|33.768110|5.107420|28.803843|36.858105| |5.339651|11.144498|6.295570|8.094816|5.484532|28.130298|4.462590|26.915173|15.912169|73.516695| |4.352623|8.024470|5.133663|7.763341|6.249865|28.830085|4.030746|24.060194|13.962796|15.216880|53.358707| |3.595748|6.459386|3.838376|5.031459|4.308508|22.203057|3.135335|19.929682|7.880187|12.682600|17.819690|36.858105| |3.003774|5.252037|3.149581|3.967848|3.680674|19.799776|2.706010|17.654051|5.203631|8.153564|10.963649|12.358960|36.858105| |2.792370|4.786012|2.787354|3.353348|3.084716|17.305598|2.411336|16.143053|4.280892|7.104135|7.998734|8.772124|17.569760|0.500000| |3.275203|5.571018|3.416406|4.310145|4.065920|21.877648|2.963839|19.149903|5.212714|7.580913|11.026488|7.835453|12.253113|0.242202|36.858105| |3.870115|6.860214|4.506761|6.363248|6.059204|29.062499|3.824293|23.197894|7.508156|9.424788|17.868474|7.858020|7.908561|0.158339|12.340274|36.858105| |3.557860|5.681908|3.315630|3.898814|3.501379|19.903125|2.845813|18.924512|4.635260|7.119046|8.458718|6.198036|7.585085|0.205120|12.313998|7.479819|36.858105| |3.512667|5.461311|3.202665|3.591920|3.320298|19.869020|2.844102|19.331625|3.874413|5.938142|6.396545|4.293012|4.879161|0.130776|7.402117|5.960086|12.496523|36.858105| |2.806057|4.534874|2.708040|3.042594|2.967281|18.161252|2.496288|17.230190|3.197461|4.941978|5.260031|3.618978|4.373453|0.117723|6.436143|5.047596|7.681534|12.657358|53.358707| |2.690239|4.326939|2.578135|2.822149|2.780193|17.596253|2.423165|17.044809|2.875889|4.482818|4.546620|3.087574|3.570090|0.096239|4.895584|4.230267|5.672082|9.168653|25.684578|0.500000| |2.543604|4.124259|2.426594|2.708404|2.627736|16.167419|2.233922|15.610562|2.901302|4.593483|4.754548|3.441230|4.270199|0.120974|5.784312|4.324624|7.029013|9.195710|25.673905|0.328256|0.500000| |2.669042|4.485299|2.768152|3.227622|3.292099|19.696678|2.584092|17.472807|3.358292|5.067736|5.700121|3.834140|4.827633|0.121742|7.453906|5.961770|6.504856|7.600660|17.197182|0.254162|0.255824|36.858105| |2.681655|4.591204|2.829462|3.427975|3.449763|19.647634|2.576130|17.122302|3.799466|5.722738|6.969727|4.989611|7.357659|0.174537|12.375242|7.396675|7.601710|6.487184|10.466300|0.157623|0.196407|12.520637|36.858105| |2.531559|4.562276|2.786296|3.493670|3.452768|18.851147|2.477179|16.301542|4.289718|6.828510|8.073181|7.573262|12.474868|0.246559|7.419399|6.077294|4.927574|3.736985|4.971142|0.085738|0.099972|4.313189|6.515414|36.858105| |2.494418|4.582134|2.881710|3.682536|3.847729|20.714598|2.614161|17.005225|4.293392|6.603973|7.847658|6.156163|7.989625|0.163826|6.565091|6.344073|4.325230|3.516981|4.792289|0.084280|0.093706|4.386549|6.333744|15.787274|73.516695| |2.213502|3.974344|2.373824|2.860669|2.810648|16.011540|2.132543|14.397106|3.444439|5.783509|5.932792|5.652738|7.850675|0.212314|5.179674|4.292605|4.005164|3.141721|4.241283|0.074594|0.088210|3.526476|4.905672|14.211827|15.083547|53.358707| |1.926673|3.495400|2.095009|2.480234|2.500568|14.650128|1.923546|13.168876|2.862933|4.849423|4.662993|4.074274|4.989147|0.134383|3.862153|3.423878|3.113061|2.595296|3.593904|0.064885|0.074732|3.011238|3.918464|7.723095|11.998217|17.789840|36.858105| |1.742007|3.120591|1.861880|2.160360|2.191064|13.178309|1.731493|12.036236|2.426979|4.092658|3.902090|3.279252|4.084148|0.114624|3.444965|2.981521|2.876749|2.477344|3.555771|0.064706|0.075511|2.975985|3.759786|5.548477|9.041402|10.429368|12.442358|36.858105| |1.714692|3.041273|1.792938|2.058985|2.056233|12.437157|1.658946|11.609972|2.329374|3.971271|3.731436|3.193346|3.992700|0.118341|3.343768|2.824181|2.895952|2.479722|3.544174|0.064385|0.076678|2.877219|3.598976|5.012549|7.721020|9.623121|8.905328|17.476946|0.500000| |1.549319|2.795003|1.665648|1.904831|1.950199|11.988155|1.568885|11.039594|2.096460|3.569775|3.261882|2.664577|3.117261|0.086561|2.729492|2.468345|2.342508|2.077079|2.977822|0.055378|0.062762|2.465877|2.950817|3.990233|6.938201|6.765609|7.535013|12.414645|0.246876|36.858105| |1.423431|2.547463|1.512332|1.706042|1.748546|10.939050|1.435714|10.217602|1.850080|3.144839|2.853353|2.287417|2.670978|0.075080|2.436348|2.193129|2.145617|1.949199|2.846234|0.053555|0.060610|2.334936|2.699806|3.230443|5.645534|5.167384|4.896497|7.522272|0.189956|12.432586|36.858105| |1.455562|2.593087|1.549682|1.750668|1.810748|11.363319|1.479440|10.516162|1.876965|3.144171|2.917647|2.291472|2.724590|0.075717|2.581292|2.308057|2.258469|2.087543|3.132650|0.059115|0.066846|2.622058|2.991145|3.267357|5.848444|4.953384|4.390185|6.505520|0.160632|7.536444|12.460440|36.858105| |1.604497|2.835480|1.696274|1.933375|1.987837|12.297363|1.605880|11.317680|2.094202|3.474244|3.330623|2.637907|3.279605|0.091897|3.126570|2.687299|2.699010|2.467903|3.773298|0.069918|0.081695|3.206522|3.777510|3.951558|6.903306|5.965924|4.990831|7.753691|0.196908|6.603688|7.764792|13.055011|53.358707| |1.784171|3.175256|1.914326|2.227974|2.293425|13.828663|1.794711|12.443481|2.455557|4.040489|4.003699|3.227833|4.169497|0.113832|3.806051|3.232553|3.108388|2.740101|4.106328|0.074397|0.087385|3.591186|4.575700|5.541201|9.662751|8.598392|7.502080|12.415939|0.248332|7.587732|6.559348|7.832484|17.882083|36.858105| |1.584681|2.765186|1.640203|1.849523|1.881048|11.727306|1.550397|11.006253|2.001065|3.327520|3.174895|2.512063|3.133104|0.090328|3.066674|2.575988|2.754089|2.558305|3.992379|0.074230|0.089108|3.287604|3.749527|3.535144|6.000055|5.231361|4.025788|5.591556|0.162923|4.738711|5.573919|7.721746|19.142153|7.753053|36.858105| |1.433110|2.498830|1.474438|1.640093|1.668095|10.574415|1.403556|10.084144|1.755835|2.943276|2.731011|2.139894|2.575965|0.074312|2.540814|2.190647|2.345939|2.225947|3.449583|0.065663|0.076752|2.765170|3.014286|2.837291|4.869451|4.170856|3.240757|4.287360|0.125789|4.031325|5.119375|6.914768|11.288617|5.222805|14.265806|53.358707| |1.399217|2.418931|1.417465|1.561606|1.576789|10.070188|1.349330|9.764012|1.667292|2.803618|2.577098|2.012033|2.399989|0.070070|2.403861|2.065261|2.289716|2.208417|3.441502|0.066237|0.077847|2.669528|2.825638|2.548785|4.333891|3.692031|2.770184|3.461779|0.103621|3.217620|3.853201|4.687808|7.435798|4.039784|8.420819|19.791205|36.858105| |1.491140|2.551156|1.488184|1.636982|1.638106|10.425250|1.408721|10.184042|1.755660|2.946464|2.730581|2.136406|2.576812|0.076451|2.622589|2.202602|2.562473|2.489173|3.935712|0.075428|0.091853|2.963514|3.101269|2.648562|4.428807|3.782578|2.721809|3.284413|0.099736|2.918309|3.280805|3.832110|6.415706|3.826001|7.089583|10.926772|13.729645|36.858105| |1.666199|2.843059|1.664318|1.852826|1.847597|11.573037|1.562227|11.162706|2.009891|3.346002|3.191253|2.521154|3.157770|0.094805|3.230729|2.609907|3.125875|2.976895|4.791320|0.088904|0.114814|3.645232|3.948314|3.225733|5.291216|4.578865|3.186398|3.843217|0.117557|3.208452|3.449478|4.032836|7.412619|4.656948|8.433112|9.679307|8.197605|13.843017|36.858105| |1.731257|2.986801|1.765838|1.997166|2.008366|12.404570|1.654344|11.686929|2.181592|3.607230|3.519218|2.804624|3.624512|0.107092|3.620485|2.897644|3.299888|3.042113|4.853095|0.088132|0.112409|3.937223|4.571533|3.911824|6.414203|5.644692|3.989604|5.103285|0.153962|4.013807|4.258926|5.189934|11.210890|6.868887|14.240598|10.970862|7.066939|7.999490|14.434603|53.358707| |17.540446|16.418016|7.130298|6.295237|4.494254|27.308928|5.013956|32.592241|6.461299|10.900465|7.232667|4.325895|3.550167|0.091410|3.928078|4.625624|4.419575|4.239238|4.393312|0.084227|0.080870|3.028375|3.083449|2.875005|4.955293|3.376730|2.115982|1.904573|0.052246|1.671491|1.529831|1.566239|2.374328|1.954379|1.727410|2.109196|1.512491|1.622206|1.831801|2.596110|0.500000| |17.566384|16.449877|7.199537|5.265881|4.176657|29.155330|5.915335|43.401067|4.547653|7.566237|5.242280|3.177143|2.769611|0.071640|3.108648|3.655650|3.392477|3.536432|3.886735|0.077685|0.071112|2.694279|2.622336|2.365827|4.189736|2.818195|1.818999|1.665334|0.045472|1.487176|1.377572|1.419397|2.128405|1.724652|1.550986|1.916899|1.380016|1.472504|1.639214|2.305671|0.298256|0.500000| |17.662936|16.937435|5.919695|4.617305|3.566137|23.819149|4.595633|34.314458|4.498617|8.398189|5.038767|3.241017|2.724557|0.071899|2.889215|3.271536|3.175355|3.110204|3.431736|0.067387|0.064664|2.375815|2.399413|2.313957|4.010016|2.809776|1.807447|1.640065|0.045137|1.466784|1.351361|1.373658|2.051100|1.664704|1.493363|1.849219|1.331540|1.418921|1.575790|2.214891|0.300360|0.299283|0.500000| |3.598427|7.394345|5.677392|8.777612|17.787223|55.655620|5.450129|29.731974|6.651643|8.759501|8.633771|4.480720|3.966540|0.090259|4.333501|6.535464|3.515558|3.276037|4.116697|0.077889|0.074750|3.497855|3.770976|3.908554|8.171076|4.234740|2.789256|2.419142|0.062098|2.146486|1.906540|1.981926|2.964606|2.551158|2.031808|2.432661|1.672060|1.725591|1.954518|2.934306|0.105330|0.095891|0.084425|0.500000| |3.831620|6.648237|3.739327|4.591631|3.787171|20.438711|3.011010|19.578885|7.036999|12.917185|12.360397|17.593210|8.720575|0.224753|6.416755|6.091853|6.207885|4.273197|4.725241|0.083030|0.092999|3.476471|4.293589|5.615723|8.214598|6.425292|3.524293|2.935009|0.081525|2.421647|2.113013|2.104684|3.277677|2.862543|2.338542|2.748313|1.925365|2.062725|2.416765|3.573427|0.131244|0.091999|0.098247|0.104835|0.500000| |3.233645|6.028698|3.588356|4.648861|4.103074|21.389045|2.980887|19.101814|6.989254|12.445313|12.350741|17.615940|8.669681|0.190650|5.704527|5.974007|4.607643|3.462388|4.143882|0.073774|0.081295|3.271233|4.167095|7.406972|11.020766|8.090480|4.403770|3.374343|0.090114|2.780495|2.336284|2.294900|3.527521|3.194860|2.421713|2.824175|1.933203|2.021295|2.353676|3.590814|0.103687|0.079358|0.082394|0.120893|0.304042|0.500000| |3.339424|6.127360|4.129099|5.810186|6.382675|30.291980|3.692572|22.454022|6.217437|8.150750|12.304983|6.326244|6.702293|0.136588|8.826716|17.632510|5.519490|4.771401|6.103319|0.107403|0.108259|5.772488|7.180746|6.302684|13.649780|5.946242|3.622070|3.140334|0.080391|2.618687|2.310779|2.454099|3.866920|3.469931|2.659609|3.066199|2.093543|2.197661|2.588924|3.987076|0.105652|0.089021|0.079528|0.219224|0.135383|0.150776|0.500000| |4.405895|7.575825|5.083924|6.883607|6.472249|32.288352|4.337293|25.944197|6.942558|8.773881|12.395914|5.829007|5.672778|0.126826|8.622840|17.598295|7.096762|6.722852|7.332935|0.129827|0.121980|6.015127|6.223284|4.540672|8.414517|4.723554|2.876744|2.581210|0.068572|2.185950|1.980746|2.096931|3.288879|2.812919|2.353055|2.770236|1.943782|2.083424|2.437717|3.596721|0.147136|0.119586|0.099956|0.176782|0.140855|0.129305|0.301785|0.500000| |4.240277|6.573386|3.715692|4.319909|3.660653|20.666547|3.072560|20.305428|5.391634|8.449636|9.429421|6.866243|6.866396|0.186049|8.726617|7.030893|17.584636|9.004218|7.627130|0.127101|0.143532|4.884673|5.507390|4.468393|6.996515|5.040345|2.901767|2.628156|0.073571|2.176853|1.982082|2.052381|3.265965|2.752439|2.424349|2.856066|2.049658|2.267108|2.697376|3.852076|0.154901|0.108498|0.104870|0.098854|0.213872|0.137677|0.140883|0.191646|0.500000| |3.066306|4.927160|2.823296|3.240727|2.950297|17.213454|2.459708|16.760094|3.840553|6.198785|6.701108|5.447580|7.097138|0.229362|8.784982|5.485971|17.517117|8.926524|9.388562|0.144231|0.205390|5.669723|6.781996|4.775018|7.143612|5.631419|3.191130|3.012673|0.086606|2.424891|2.237453|2.344639|3.859604|3.226864|2.960752|3.419494|2.478454|2.830140|3.518762|4.966241|0.102929|0.081153|0.078406|0.082992|0.157599|0.117975|0.123370|0.141303|0.304137|0.500000| |4.002299|6.161297|3.693029|4.112067|3.803184|22.878396|3.291660|22.035156|4.207276|6.255819|6.701311|4.148432|4.418552|0.113259|6.592187|6.439779|8.723035|17.639402|12.452827|0.225002|0.181224|6.952214|5.696947|3.497724|6.074754|3.954921|2.441863|2.306370|0.063239|1.963218|1.837064|1.965568|3.112206|2.542646|2.331521|2.785758|2.016677|2.231938|2.615615|3.674041|0.134024|0.115265|0.095129|0.101799|0.112915|0.094052|0.142356|0.234138|0.213566|0.173238|0.500000| |3.416133|5.172495|2.936875|3.165768|2.894129|17.865561|2.619662|18.330157|3.398633|5.408783|5.336776|3.710304|4.073686|0.114358|5.423368|4.558579|8.773038|17.624983|12.359525|0.222594|0.224017|5.578312|4.887384|3.193243|5.295038|3.797586|2.338432|2.254124|0.063501|1.913474|1.812991|1.928732|3.071708|2.455933|2.370382|2.856065|2.114692|2.405203|2.829901|3.823148|0.113403|0.096291|0.086235|0.078271|0.106883|0.085151|0.105049|0.140397|0.212600|0.217387|0.301645|0.500000| |2.866353|4.853407|3.071183|3.598955|3.774497|22.669480|2.909845|19.404254|3.578375|5.271953|5.937364|3.742847|4.399664|0.107563|6.675116|6.492372|5.749414|6.973716|12.427734|0.223690|0.181187|17.621098|8.732805|3.976554|7.508711|4.374418|2.788257|2.700755|0.071646|2.287714|2.154092|2.397866|3.871211|3.189811|2.849793|3.329371|2.352001|2.556762|3.038273|4.456340|0.089517|0.081585|0.069649|0.111188|0.093587|0.089359|0.180511|0.199801|0.128975|0.132168|0.209925|0.143310|0.500000| |2.327435|3.942164|2.419026|2.767419|2.864465|17.672512|2.299811|15.869059|2.845990|4.389979|4.674905|3.229410|4.014603|0.104287|5.446105|4.557567|4.886659|5.581072|12.355310|0.222850|0.224139|17.629976|8.784943|3.818193|6.985285|4.438793|2.890915|2.963850|0.079487|2.489578|2.413381|2.783608|4.667040|3.693396|3.585282|4.122689|2.935516|3.262869|3.999943|5.833916|0.071944|0.065568|0.058323|0.085009|0.082076|0.079045|0.128503|0.126396|0.107658|0.127437|0.143337|0.126448|0.301053|0.500000| |2.420537|4.122046|2.485126|2.935322|2.914841|17.029090|2.267377|15.387956|3.290848|5.152146|5.827517|4.514492|6.865784|0.185888|8.779151|5.441480|6.774445|5.677042|9.427807|0.144693|0.207649|8.917650|17.508749|6.292515|9.989724|7.125292|4.157509|4.192033|0.115137|3.188579|2.955569|3.297419|5.932029|5.225188|4.507596|4.757476|3.284216|3.699057|5.008352|8.119222|0.076850|0.065514|0.061303|0.087446|0.111943|0.107327|0.145467|0.130835|0.138542|0.197465|0.131656|0.128027|0.173079|0.216502|0.500000| |2.510369|4.411147|2.766262|3.396382|3.561558|20.178435|2.559337|16.929973|3.693644|5.547272|6.662581|4.699175|6.606734|0.150457|8.794279|6.923291|5.516671|4.871999|7.630701|0.127049|0.144315|9.009154|17.644445|7.136636|14.304570|7.076979|4.337440|4.133708|0.104908|3.243565|2.924838|3.287464|5.643481|5.260068|3.899158|4.221016|2.823063|2.994834|3.733170|6.135558|0.078640|0.068168|0.062423|0.112693|0.108761|0.114871|0.221177|0.157168|0.123073|0.138970|0.127747|0.107610|0.212874|0.213149|0.304640|0.500000| |2.198763|3.897195|2.285039|2.705157|2.600347|15.001416|2.039203|13.904622|3.288239|5.654162|5.573219|5.525668|7.535154|0.243924|4.906076|3.943007|4.076732|3.145602|4.184079|0.073508|0.088688|3.336096|4.518792|9.440313|10.869246|26.071181|9.031050|6.622693|0.196546|4.488701|3.573686|3.376254|5.522328|5.391772|3.737716|4.112074|2.728100|2.840920|3.449421|5.629096|0.068800|0.056899|0.057541|0.078106|0.137100|0.157507|0.106823|0.090628|0.105910|0.122204|0.079419|0.079060|0.083578|0.085624|0.138899|0.125120|0.500000| |1.844035|3.358609|1.991287|2.327678|2.322161|13.752948|1.826055|12.605814|2.695125|4.684932|4.259170|3.762191|4.299115|0.119094|3.331372|3.020735|2.794138|2.342508|3.192838|0.058244|0.066460|2.605198|3.273420|5.922223|9.239448|12.526853|17.575522|8.834627|0.212357|6.992161|4.564090|3.854388|5.629876|5.482016|3.464817|3.958575|2.527380|2.475573|2.828764|4.638396|0.055919|0.048114|0.048509|0.070998|0.093070|0.116547|0.087252|0.071673|0.074055|0.079930|0.061486|0.059527|0.067728|0.069419|0.095825|0.097787|0.220838|0.500000| |1.945907|3.576880|2.176240|2.604183|2.686463|15.654613|2.014968|13.696073|2.959014|4.944950|4.783949|3.998084|4.704127|0.119363|3.796230|3.541746|2.990548|2.535654|3.518197|0.063987|0.071813|3.014170|3.874494|7.485982|14.002016|12.613308|17.642297|8.789812|0.173735|6.768722|4.527742|4.217260|6.285217|6.839195|3.664689|4.083604|2.565176|2.502900|2.892818|4.874849|0.058961|0.051164|0.050373|0.085072|0.093869|0.121837|0.108232|0.082353|0.077738|0.082747|0.067508|0.062941|0.079242|0.080410|0.109190|0.124421|0.180365|0.302909|0.500000| |1.504851|2.720587|1.609323|1.829107|1.856317|11.448159|1.511519|10.682673|2.024303|3.497434|3.109682|2.569842|2.927080|0.082255|2.522653|2.300873|2.201279|1.943744|2.742443|0.051159|0.057778|2.229216|2.645706|3.654872|6.225770|6.311403|6.857759|8.796171|0.214709|17.538017|8.813731|5.494359|6.721498|5.508190|3.913445|4.712171|2.873165|2.639160|2.864028|4.689699|0.044981|0.039947|0.039818|0.056300|0.065678|0.075583|0.067010|0.056809|0.057642|0.063485|0.051113|0.050161|0.057825|0.061887|0.078895|0.079250|0.120834|0.209160|0.166199|0.500000| |1.552440|2.825244|1.698383|1.950204|2.024587|12.462961|1.610461|11.300764|2.124043|3.596112|3.283976|2.630516|3.022582|0.081592|2.681936|2.492073|2.270763|2.029192|2.906398|0.054314|0.060417|2.440858|2.898777|3.929139|7.212272|6.309050|6.992416|8.852176|0.174113|17.489450|8.846566|6.734528|7.800705|6.802996|4.130165|4.850537|2.885185|2.630514|2.880171|4.840694|0.046298|0.041458|0.040673|0.062558|0.065643|0.076905|0.074855|0.061304|0.058832|0.064152|0.053933|0.051633|0.063875|0.068431|0.084628|0.090581|0.112124|0.176938|0.205787|0.303249|0.500000| |1.395733|2.482094|1.461725|1.638828|1.662193|10.419991|1.382273|9.880432|1.786472|3.057344|2.750453|2.227199|2.602154|0.074799|2.363882|2.100950|2.123559|1.925922|2.803831|0.052753|0.060384|2.255652|2.596680|3.059214|5.195219|4.958780|4.480542|6.705466|0.199060|8.824616|17.527281|8.887887|9.429609|5.689858|5.721585|7.480554|4.201900|3.544258|3.659973|5.997031|0.041740|0.037486|0.036979|0.049874|0.057935|0.062842|0.060545|0.052939|0.054583|0.062386|0.050021|0.050215|0.057379|0.064627|0.080187|0.076283|0.099065|0.119548|0.110371|0.215403|0.173609|0.500000| |1.332095|2.393600|1.420348|1.591413|1.637388|10.352844|1.356702|9.715457|1.710442|2.919668|2.601312|2.063004|2.352287|0.065656|2.164948|1.987307|1.922434|1.764150|2.562775|0.048684|0.054198|2.091038|2.371931|2.802859|4.977412|4.377640|4.072479|5.488490|0.139633|8.817140|17.547113|8.858420|7.657388|4.923132|4.385970|5.835168|3.366962|2.862604|2.933701|4.729055|0.039509|0.035871|0.035217|0.049484|0.053174|0.058870|0.058291|0.050287|0.049777|0.055261|0.046578|0.045794|0.054278|0.060042|0.070846|0.071306|0.084311|0.109340|0.108839|0.210054|0.216580|0.302807|0.500000| |1.367810|2.426210|1.443645|1.614223|1.665930|10.579840|1.383963|9.922435|1.718153|2.886764|2.645688|2.062449|2.423485|0.067886|2.334775|2.093806|2.088441|1.960962|2.959962|0.056497|0.063523|2.438232|2.701377|2.807918|5.001347|4.185307|3.551713|4.881713|0.129367|5.492742|8.795156|17.722445|12.460401|5.685892|7.422725|11.270999|5.375686|4.082410|4.035153|6.654786|0.040744|0.037208|0.035975|0.050220|0.053244|0.057021|0.061313|0.053564|0.052833|0.060447|0.051280|0.050823|0.062002|0.072718|0.082748|0.080895|0.081060|0.089132|0.094719|0.123193|0.138669|0.215679|0.210487|0.500000| |1.459655|2.617820|1.576961|1.786739|1.872067|11.784450|1.515843|10.753739|1.895936|3.156803|2.935008|2.267334|2.664058|0.072401|2.554035|2.335946|2.204883|2.053023|3.081275|0.058446|0.064736|2.624456|2.968236|3.233008|6.016013|4.747456|4.235074|5.753592|0.133956|6.789718|8.836251|17.523923|12.545551|7.143992|5.923894|7.244097|3.907637|3.309115|3.501966|5.997538|0.043452|0.039629|0.038121|0.057412|0.057321|0.063355|0.070195|0.059024|0.055805|0.062533|0.054346|0.052354|0.067725|0.077566|0.088314|0.092931|0.087743|0.102517|0.119934|0.138989|0.198031|0.173940|0.214864|0.302454|0.500000| |1.791871|3.222027|1.967039|2.304844|2.422896|14.610206|1.861107|12.842933|2.500593|4.071859|4.052146|3.165917|3.966184|0.103508|3.718326|3.310173|2.970725|2.659717|3.983575|0.072906|0.082624|3.586975|4.484595|5.395494|10.515092|7.677152|6.861000|8.835814|0.174429|6.883949|5.832235|7.148641|12.536381|17.519030|5.913390|6.005147|3.498009|3.295706|3.875170|7.187965|0.054187|0.048263|0.046184|0.076161|0.076800|0.087889|0.102377|0.079997|0.073600|0.083142|0.069994|0.065666|0.091066|0.102772|0.132692|0.152599|0.128730|0.140966|0.204821|0.140172|0.202281|0.133143|0.131008|0.145802|0.217245|0.500000| |1.939446|3.418536|2.061063|2.416832|2.465162|14.672900|1.915294|13.184052|2.692401|4.379227|4.511734|3.663631|5.061646|0.138961|4.688732|3.742888|3.731962|3.225925|4.906742|0.086586|0.105612|4.370498|5.980204|6.603490|10.887472|9.596609|6.835593|8.790311|0.214563|5.514124|4.901660|5.692373|12.552415|17.747665|7.475858|6.694286|4.034918|4.069396|5.324568|11.216981|0.059681|0.052063|0.050011|0.075918|0.089672|0.097520|0.109956|0.089288|0.089117|0.108811|0.081568|0.079093|0.103797|0.123384|0.204580|0.188361|0.169090|0.139755|0.169720|0.123209|0.139891|0.127034|0.108102|0.127951|0.146264|0.302744|0.500000| |1.298176|2.247181|1.313491|1.436308|1.451589|9.359235|1.256128|9.155776|1.523999|2.574707|2.328467|1.807770|2.114420|0.061447|2.117535|1.851675|2.032811|1.977354|3.048323|0.059428|0.068224|2.343546|2.444073|2.235849|3.831429|3.229641|2.443038|2.991184|0.088682|2.882787|3.487339|4.117007|5.997429|3.375855|5.911382|12.789674|17.698032|8.867027|5.734705|6.875689|0.038753|0.035636|0.034441|0.042602|0.048290|0.048510|0.052161|0.048763|0.051138|0.060663|0.050615|0.053009|0.058289|0.071227|0.077089|0.067998|0.066304|0.062926|0.063458|0.072761|0.072634|0.105846|0.087810|0.135684|0.097592|0.083640|0.092180|0.500000| |1.441141|2.452112|1.421909|1.549260|1.543333|9.904097|1.348081|9.819510|1.654392|2.788404|2.547786|1.982853|2.349726|0.069884|2.410352|2.043709|2.414065|2.383411|3.743642|0.072911|0.087673|2.735526|2.792215|2.366407|3.960295|3.349334|2.388928|2.795775|0.084566|2.519830|2.793589|3.167743|5.071029|3.161986|5.068206|7.750274|8.806723|17.775240|8.840766|7.731082|0.043431|0.039659|0.038260|0.044802|0.053771|0.051995|0.056181|0.054324|0.059848|0.074173|0.059401|0.065109|0.066180|0.083134|0.090718|0.073993|0.070384|0.061203|0.061404|0.064453|0.063758|0.083696|0.069233|0.093751|0.077791|0.077486|0.093406|0.210143|0.500000| 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