Version2.0 2020-07-17T22:40:03Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 19-Apr-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)[C@@H](c1nnnn1C2CCCCC2)[NH+](CCCO)Cc3cc4cc5c(cc4[nH]c3=O)OCCO5 C13498805 RHF 6-31G(d) (6D,7F) CC(C)[C@@H](c1nnnn1C2CCCCC2)[NH+](CCCO)Cc3cc4cc5c(cc4[nH]c3=O)OCCO5 C01[X(C26H37N6O4)] 213 C1 614 OCCC[NH+]([C@H](c1nnnn1C1CCCCC1)C(C)C)Cc1cc2cc3OCCOc3cc2[nH]c1=O OCCC[NH+]([C@H](c1nnnn1C1CCCCC1)C(C)C)Cc1cc2cc3OCCOc3cc2[nH]c1=O CC(C)[C@H]([NH+](CCCO)CC1=Cc2cc3OCCOc3cc2NC1=O)c4nnnn4C5CCCCC5 InChIKey=WKCBGESCPVLTRQ-DEOSSOPVSA-O InChI=1S/C26H36N6O4/c1-17(2)24(25-28-29-30-32(25)20-7-4-3-5-8-20)31(9-6-10-33)16-19-13-18-14-22-23(36-12-11-35-22)15-21(18)27-26(19)34/h13-15,17,20,24,33H,3-12,16H2,1-2H3,(H,27,34)/p+1/t24-/m0/s1 InChI=1/C26H36N6O4/c1-17(2)24(25-28-29-30-32(25)20-7-4-3-5-8-20)31(9-6-10-33)16-19-13-18-14-22-23(36-12-11-35-22)15-21(18)27-26(19)34/h13-15,17,20,24,33H,3-12,16H2,1-2H3,(H,27,34)/p+1/t24-/m0/s1/fC26H37N6O4/h27,31H/q+1 CC(C)[C@@H](c1nnnn1C2CCCCC2)[NH+](CCCO)Cc3cc4cc5c(cc4[nH]c3=O)OCCO5 C01[X(C26H37N6O4)] 213 C01 614 OCCC[NH+]([C@H](c1nnnn1C1CCCCC1)C(C)C)Cc1cc2cc3OCCOc3cc2[nH]c1=O OCCC[NH]([C@H]([C]1[N][N][N][N@]1C1CCCCC1)C(C)C)CC1=[CH][C]2[CH][C]3[C]([CH][C]2NC1=O)OCCO3 CC(C)[C@@H]([C]1[N][N][N]N1C2CCCCC2)[NH](CCCO)CC3=C[C]4[CH][C]5OCCO[C]5[CH][C]4NC3=O InChIKey=IGFCBDRRUCNPIR-DEOSSOPVSA-N InChI=1S/C26H37N6O4/c1-17(2)24(25-28-29-30-32(25)20-7-4-3-5-8-20)31(9-6-10-33)16-19-13-18-14-22-23(36-12-11-35-22)15-21(18)27-26(19)34/h13-15,17,20,24,31,33H,3-12,16H2,1-2H3,(H,27,34)/t24-/m0/s1 InChI=1/C26H37N6O4/c1-17(2)24(25-28-29-30-32(25)20-7-4-3-5-8-20)31(9-6-10-33)16-19-13-18-14-22-23(36-12-11-35-22)15-21(18)27-26(19)34/h13-15,17,20,24,31,33H,3-12,16H2,1-2H3,(H,27,34)/t24-/m0/s1/f/h27H 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1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 14.00307 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 15.99491 15.99491 12.00000 12.00000 15.99491 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 11141.8872 34451.2648 40878.6309 0.99995 0.00731 -0.00747 -0.00725 0.99993 0.00898 0.00753 -0.00893 0.99993 1 0.00777 0.00251 0.00212 0.16198 0.05239 0.04415 20.28 25.05 38.23 44.21 54.14 61.60 90.95 101.55 116.40 124.27 131.68 137.95 159.22 170.36 181.59 190.65 210.09 228.23 248.58 267.65 296.26 350.58 352.39 368.60 391.59 400.61 407.35 428.87 445.00 447.25 449.40 479.27 493.73 502.42 518.06 543.39 561.59 579.86 595.03 614.93 637.28 656.06 689.98 704.36 714.85 720.12 737.75 752.13 777.54 788.73 801.28 808.92 843.11 931.00 975.84 1029.79 1083.59 1103.97 1124.47 1134.18 1142.70 1163.19 1173.44 1175.85 1185.09 1202.07 1233.82 1246.15 1256.92 1262.43 1283.90 1318.40 1346.72 1364.58 1370.93 1377.30 1395.58 1405.61 1410.89 1434.40 1447.20 1457.07 1464.08 1472.65 1510.45 1513.45 1535.23 1542.28 1574.84 1577.97 1608.50 1609.48 1631.01 1649.83 1663.50 1664.25 1681.79 1685.71 1730.55 1732.27 1742.51 1755.60 1764.33 1772.60 1787.02 1805.06 1813.28 1825.30 1843.86 1877.58 1882.07 1907.05 1911.01 1923.12 1954.51 1954.83 1959.74 1970.20 1999.41 2012.46 2018.10 2019.61 2025.78 2043.13 2046.51 2050.29 2058.44 2073.52 2089.60 2109.13 2115.80 2127.03 2137.61 2158.50 2161.24 2163.08 2178.65 2179.47 2184.91 2199.89 2203.04 2222.88 2228.49 2248.55 2252.50 2254.81 2258.84 2259.68 2287.01 2288.74 2309.17 2334.97 2342.94 2348.95 2349.91 2351.86 2353.59 2360.60 2362.07 2364.96 2367.12 2368.99 2377.79 2382.20 2384.59 2386.11 2389.27 2394.95 2406.40 2425.91 2434.28 2494.13 2548.93 2613.89 2639.87 2719.20 4572.58 4582.95 4587.58 4610.18 4622.43 4623.75 4628.33 4633.41 4641.32 4650.64 4656.55 4657.29 4670.29 4681.34 4681.78 4682.68 4686.71 4702.37 4711.62 4717.98 4732.58 4734.66 4741.41 4748.88 4757.42 4766.77 4791.81 4798.78 4799.82 4838.54 4843.39 4880.26 4883.58 4884.12 5325.95 5519.97 5914.70 0.678061 0.709644 0.710588 0.612254 -1631.348406 -1631.316823 -1631.315878 -1631.414213 3.298172D-04 MUNgauss RevisionA2.0 retrievium 17-Jul-2020 DUDE CC(C)[C@@H](c1nnnn1C2CCCCC2)[NH+](CCCO)Cc3cc4cc5c(cc4[nH]c3=O)OCCO5 C13498805 RHF 6-31G(d) (6D,10F) C1 497.287629 |X|Y|Z| 71.347331 38.640849 132.344403 71.456761 28 6 7 8 20 6 2 |36.858105| |12.424392|36.858105| |7.521935|12.400925|36.858105| |7.384932|12.265724|7.215525|36.858105| |6.866661|8.889836|5.416099|17.688677|0.500000| |4.859567|7.462665|6.148750|12.645924|0.253031|36.858105| |3.940286|5.483611|5.336094|7.683992|0.164797|14.714079|53.358707| |3.218086|4.265517|4.247865|5.344184|0.128347|9.063993|19.422090|53.358707| |3.247277|4.322587|4.103231|5.284524|0.134742|8.926045|12.200216|20.740997|53.358707| |4.055514|5.749466|4.915261|7.499231|0.194114|14.331880|12.174643|12.423288|19.512441|53.358707| |3.893196|5.098963|4.173579|5.883722|0.176752|7.423533|7.240299|7.455785|10.659053|17.601751|36.858105| |3.412651|4.329949|3.891124|4.383050|0.123794|5.266135|5.793224|6.265307|8.633888|10.493017|12.449361|36.858105| |3.034405|3.553071|3.160524|3.517130|0.103568|3.861010|4.389366|4.626531|5.861173|6.784910|7.574702|12.430897|36.858105| |2.642195|3.011148|2.659642|3.144793|0.094976|3.462172|4.035555|4.317320|5.430352|6.018352|6.474863|7.519704|12.442425|36.858105| |2.848966|3.240631|2.748273|3.585808|0.113571|3.913147|4.449590|4.662690|5.852617|6.790342|7.575114|6.432393|7.536943|12.443017|36.858105| |3.153009|3.793994|3.185508|4.517600|0.142128|5.400026|5.933695|6.355979|8.605672|10.509549|12.441347|7.495007|6.431288|7.520241|12.432498|36.858105| |5.969026|7.195179|5.607202|12.479956|0.256924|7.848525|9.404368|6.421814|5.815939|7.058829|4.165441|3.296057|2.767980|2.574849|2.934092|3.588827|53.358707| |4.624662|5.608205|4.652349|9.531823|0.222930|8.241514|10.893795|7.308053|6.395975|7.472726|4.247903|3.292955|2.747231|2.614405|3.025564|3.810695|25.730573|0.500000| |5.226258|6.084244|5.952483|7.394372|0.155144|5.972445|8.524867|5.947493|5.117607|5.739252|3.389360|2.875414|2.423629|2.232110|2.451507|2.922091|17.193835|0.261339|36.858105| |3.779829|4.109459|4.074302|4.914282|0.115992|4.444390|6.780607|5.161237|4.378798|4.644298|2.812426|2.419781|2.084492|1.968480|2.165696|2.549937|10.344706|0.207153|12.504796|36.858105| |3.204415|3.443904|3.687825|3.774636|0.090141|3.582635|5.573434|4.522067|3.832495|3.934592|2.419660|2.161839|1.875137|1.761966|1.895665|2.193424|6.726587|0.133658|7.571377|12.501573|36.858105| |2.666611|2.798721|2.911926|3.083958|0.076722|2.968039|4.561869|3.881810|3.340025|3.382021|2.125874|1.907643|1.681516|1.604208|1.729477|1.978797|5.353229|0.110512|5.148375|8.150531|13.648483|73.516695| |5.753448|5.554119|4.286467|7.476641|0.211625|5.106806|6.149659|4.768111|4.519066|5.377476|3.511597|2.832248|2.503592|2.378689|2.742212|3.194391|17.008920|0.259371|7.547880|6.170841|4.224371|6.440033|36.858105| |3.997693|3.983627|3.281248|5.263801|0.156672|4.269824|5.431748|4.430772|4.188415|4.773630|3.159062|2.550365|2.291292|2.251700|2.639430|3.062989|10.294393|0.219193|5.463312|5.481783|3.839847|6.310114|12.677732|36.858105| |3.315860|3.209240|2.777668|3.904556|0.112717|3.325870|4.393495|3.709826|3.489043|3.846336|2.583736|2.161400|1.973912|1.950412|2.244932|2.535502|7.145929|0.149469|4.492016|4.991783|3.709531|6.481750|7.570397|14.161200|36.858105| |2.688591|2.643507|2.332371|3.163826|0.092268|2.847553|3.818200|3.353176|3.177316|3.420755|2.332796|1.971334|1.823545|1.836312|2.118360|2.363239|5.362472|0.116754|3.466695|3.894593|3.102347|5.656402|4.964323|7.839219|13.278343|36.858105| |2.324689|2.260389|2.043698|2.603112|0.074789|2.375070|3.220528|2.878414|2.728466|2.896014|1.991581|1.722742|1.608872|1.619303|1.836935|2.014063|4.283688|0.091230|2.922314|3.329460|2.813812|5.317462|3.803427|5.120507|7.639495|13.571687|36.858105| |2.018500|1.982165|1.807464|2.263363|0.065239|2.116245|2.882453|2.635466|2.515279|2.635607|1.830316|1.597393|1.504490|1.530782|1.732372|1.880583|3.598378|0.077361|2.464066|2.767209|2.410745|4.582843|3.061414|3.938406|5.099648|7.914705|13.958266|36.858105| |1.958242|1.953130|1.770846|2.257643|0.065803|2.150734|2.924801|2.713554|2.609935|2.718929|1.899544|1.648404|1.557218|1.606182|1.835908|1.993157|3.518560|0.077110|2.359210|2.601269|2.254346|4.221073|2.927704|3.793019|4.524610|6.860862|7.948526|13.510038|36.858105| |2.153523|2.175985|1.941709|2.582199|0.076404|2.470768|3.334207|3.086401|2.981885|3.125343|2.180222|1.856078|1.744452|1.812429|2.110486|2.321032|4.024316|0.090181|2.606174|2.830750|2.384738|4.367526|3.349293|4.545357|5.133089|7.875494|6.842398|7.864827|13.831306|36.858105| |2.546306|2.569207|2.250034|3.136434|0.093522|2.921036|3.901166|3.504031|3.361701|3.595154|2.473210|2.064107|1.915449|1.966215|2.310165|2.589847|5.085823|0.115205|3.180670|3.455960|2.781307|5.003115|4.430430|6.798234|7.849519|13.644614|7.895192|6.852368|7.973278|13.715252|36.858105| |2.844694|2.947823|2.514722|3.773820|0.116187|3.543258|4.625535|4.129837|4.009192|4.362882|2.991181|2.412163|2.215089|2.289394|2.766389|3.188703|6.016603|0.142147|3.514450|3.642780|2.854599|4.949327|5.106574|7.977349|6.974041|7.972867|5.191306|4.575551|5.202662|7.897982|13.767526|53.358707| |2.627391|2.764281|2.373253|3.507167|0.108643|3.430559|4.478570|4.137814|4.088924|4.386521|3.056738|2.459374|2.273980|2.400746|2.945862|3.394944|5.290115|0.125306|3.132583|3.196664|2.577648|4.467500|4.232756|5.803541|5.107392|5.784229|4.260023|4.013781|4.795226|7.311837|9.225284|25.961063|0.500000| |3.545669|3.725014|3.051289|5.118948|0.162540|4.535644|5.687078|4.815517|4.662320|5.305968|3.551913|2.769740|2.489417|2.516053|3.059778|3.638673|8.571823|0.208034|4.472429|4.386562|3.255435|5.407685|7.593368|13.044364|7.834382|6.719149|4.494766|3.771498|3.953093|5.174043|7.837790|19.174347|0.265117|36.858105| |3.820942|4.244061|3.362396|6.273680|0.215140|5.769109|6.753917|5.721722|5.737524|6.842395|4.561564|3.342160|2.943814|2.984916|3.759797|4.732503|9.167420|0.229220|4.502730|4.103124|3.107126|5.023179|6.866621|8.131427|5.379093|4.700646|3.491882|3.055382|3.232168|4.087604|5.387596|11.526887|0.217740|15.643071|73.516695| |1.729225|1.730277|1.584114|1.972131|0.057317|1.905877|2.599751|2.453791|2.374051|2.447591|1.724696|1.515785|1.443490|1.498791|1.699817|1.823619|3.003071|0.065527|2.037069|2.223770|1.974067|3.702938|2.438462|3.014444|3.435512|4.633009|5.260480|7.968803|14.265779|8.181723|5.295467|5.469975|0.109228|3.180312|4.845947|73.516695| |1.589009|1.581360|1.466002|1.773980|0.050996|1.713220|2.351074|2.221979|2.141089|2.197430|1.546084|1.375887|1.311988|1.353011|1.513971|1.616254|2.699325|0.058230|1.872171|2.059003|1.868759|3.554750|2.177455|2.614202|3.005630|3.866121|4.676825|7.019442|8.130751|5.291715|4.032452|4.340403|0.085682|2.664061|4.123302|23.887974|36.858105| |1.632462|1.599805|1.481800|1.776653|0.051032|1.686991|2.300169|2.150429|2.072097|2.146934|1.513227|1.349517|1.288889|1.318224|1.469646|1.562882|2.720683|0.057794|1.898795|2.088717|1.899983|3.619652|2.238662|2.669676|3.163867|4.041987|5.332815|8.189040|7.052604|4.685992|3.892637|4.150776|0.079641|2.620777|4.023093|14.137614|12.604186|36.858105| |1.810193|1.767829|1.634686|1.976219|0.056474|1.856279|2.538418|2.339963|2.235178|2.327345|1.623224|1.437842|1.361474|1.381588|1.543881|1.659446|3.096879|0.065712|2.171656|2.434821|2.191879|4.219476|2.589048|3.151641|3.933328|5.234350|8.107609|14.093203|7.933297|5.210247|4.610614|4.701489|0.087005|2.988670|4.474806|12.134395|7.992643|13.509133|73.516695| |17.584626|8.860836|7.019469|5.443792|0.142493|4.062532|4.629268|3.926008|3.999491|4.863927|3.527984|3.267869|2.972442|2.543907|2.662371|2.866024|6.144742|0.102829|4.231786|3.218725|2.858172|4.281671|4.354836|3.265963|2.813324|2.345180|2.071577|1.822420|1.768122|1.923148|2.229527|3.340564|0.063770|2.956972|5.629151|2.807359|1.462653|1.504499|2.942297|0.500000| |17.557464|8.710660|5.463593|6.806887|0.206693|4.538125|4.939654|4.123883|4.246938|5.353949|3.967009|3.390934|3.113593|2.763827|3.050758|3.308984|7.570325|0.124135|4.511546|3.456735|2.890104|4.400952|5.982231|4.242458|3.475218|2.827200|2.421982|2.103648|2.051648|2.272844|2.700018|4.144544|0.078095|3.818493|7.344499|3.211731|1.647987|1.695858|3.332639|0.303030|0.500000| |17.554928|8.692581|6.696600|6.473510|0.161884|4.391305|5.138575|4.144121|4.050491|4.871731|3.330403|2.929404|2.612890|2.329039|2.517740|2.795922|8.595173|0.131690|6.010876|4.307782|3.631993|5.302826|6.454750|4.292394|3.639558|2.870274|2.494658|2.132264|2.034376|2.215095|2.639638|3.927011|0.072722|3.586204|6.570863|3.170713|1.648320|1.708241|3.405666|0.303710|0.300628|0.500000| |9.022763|17.534477|9.027451|9.233760|0.229020|7.076112|6.826815|5.722933|6.208645|8.653378|6.261311|5.425150|4.380589|3.530491|3.735854|4.317180|7.486709|0.130431|4.616056|3.395193|2.915273|4.337407|4.534495|3.499228|2.854079|2.421392|2.083237|1.854898|1.849365|2.066126|2.403189|3.780798|0.073913|3.436386|7.151046|2.940788|1.508829|1.518278|2.950089|0.217906|0.215435|0.173963|0.500000| |6.925792|8.679033|17.602300|6.144827|0.131124|5.142407|6.577350|5.189708|4.827294|5.531687|3.459627|3.206436|2.685985|2.326462|2.420912|2.778877|7.681252|0.127593|6.923374|4.623847|4.320374|5.848821|4.398171|3.336044|2.883840|2.392580|2.113945|1.853875|1.793415|1.947172|2.261843|3.376880|0.064246|2.991271|5.661948|2.842227|1.489248|1.514919|2.993382|0.178673|0.139549|0.200811|0.174575|0.500000| |5.459786|8.684210|17.588018|6.752063|0.140118|7.019903|8.846252|7.087813|6.665222|7.672421|4.456588|4.224281|3.278072|2.753258|2.818784|3.351141|7.192110|0.129946|5.668244|4.031231|3.708697|5.208742|3.890857|3.117301|2.643869|2.258724|1.979666|1.766512|1.745634|1.920812|2.209830|3.382394|0.065890|2.985156|5.928776|2.789068|1.450367|1.453078|2.839395|0.141332|0.121786|0.138701|0.208272|0.301402|0.500000| |6.797617|8.892925|17.578187|5.418084|0.124636|4.810419|5.743000|4.908203|4.902086|5.752655|3.842908|3.806360|3.183220|2.621478|2.636217|2.955124|5.885270|0.103099|4.496811|3.340182|3.121546|4.521892|3.578737|2.829030|2.447430|2.090021|1.856624|1.657272|1.624674|1.768382|2.021830|3.045957|0.059156|2.657482|5.173353|2.605483|1.362940|1.380358|2.687684|0.207598|0.140990|0.162367|0.226521|0.304133|0.302857|0.500000| |4.709236|6.118391|4.533123|6.840418|0.226066|7.147728|6.663707|6.278323|7.916566|12.655981|17.581346|8.887581|6.866158|5.722693|6.873399|8.897333|6.179075|0.123063|3.570640|2.896793|2.461401|3.825594|3.936336|3.420477|2.758063|2.447479|2.078088|1.891224|1.947166|2.232447|2.564556|4.221556|0.086489|3.773885|8.620943|3.120654|1.573019|1.553869|2.975420|0.116435|0.138212|0.107302|0.224371|0.103234|0.126713|0.116335|0.500000| |3.748344|4.900915|4.592444|4.561282|0.123114|5.321724|5.867562|6.114909|7.861123|9.590242|8.833486|17.536628|8.784886|5.477979|4.830927|5.478393|4.591607|0.091175|3.019251|2.489832|2.248832|3.483378|2.860277|2.510706|2.136525|1.925860|1.691446|1.558765|1.591559|1.776412|1.983794|3.115234|0.063830|2.647585|5.569002|2.595849|1.334186|1.317102|2.505425|0.101993|0.100137|0.088100|0.177583|0.101395|0.139883|0.128894|0.215298|0.500000| |2.953951|3.702151|3.492875|3.842765|0.106028|4.830605|5.721427|6.676997|9.576227|9.627444|8.894095|17.562670|8.823233|6.768243|5.659516|6.785552|4.124619|0.085888|2.706809|2.327244|2.105857|3.326332|2.588898|2.378549|2.039369|1.881342|1.653729|1.544286|1.600240|1.797968|1.979766|3.131770|0.065686|2.596695|5.507941|2.631715|1.346506|1.312598|2.478475|0.078627|0.080697|0.072425|0.121271|0.081877|0.108548|0.094243|0.174639|0.303074|0.500000| |3.345115|3.805300|3.280756|3.639134|0.109447|3.763481|4.198559|4.251045|5.186020|6.252954|6.806608|8.832848|17.493538|8.843727|6.776686|5.639861|3.858201|0.076652|2.462040|2.098393|1.879258|2.989418|2.614293|2.359053|2.028788|1.859869|1.640255|1.526249|1.570992|1.755844|1.938578|3.041647|0.063129|2.531520|5.289281|2.579629|1.319689|1.305345|2.455764|0.092125|0.097234|0.078410|0.133987|0.077203|0.091418|0.093122|0.202082|0.214179|0.173390|0.500000| |2.726096|3.143181|2.915791|3.037150|0.087258|3.323281|3.917292|4.169094|5.134304|5.623690|5.519707|8.863629|17.564335|8.807013|5.490216|4.832008|3.340700|0.067488|2.206798|1.915799|1.751928|2.802976|2.226224|2.043112|1.786331|1.657801|1.478449|1.388284|1.432362|1.589495|1.730843|2.684294|0.056091|2.190229|4.506685|2.374475|1.222364|1.201752|2.250119|0.075693|0.076548|0.066015|0.105308|0.069493|0.084449|0.083303|0.140661|0.212015|0.214775|0.303836|0.500000| |2.434561|2.687825|2.388218|2.757226|0.083430|2.937761|3.475347|3.660254|4.427286|4.858058|4.856200|5.487710|8.829069|17.556895|8.824237|5.486768|3.139532|0.064591|2.018729|1.796447|1.618639|2.638190|2.177021|2.071996|1.818188|1.722944|1.532693|1.456246|1.526993|1.710889|1.839913|2.878673|0.061534|2.294274|4.737375|2.548100|1.298208|1.267722|2.349280|0.065913|0.071314|0.059943|0.086538|0.058734|0.067716|0.066161|0.128047|0.123062|0.139119|0.215138|0.211476|0.500000| |2.390267|2.743018|2.491268|2.892950|0.085372|3.282584|3.956993|4.380292|5.546784|5.742566|5.677635|6.775584|8.852751|17.515250|8.851958|6.776623|3.291597|0.069058|2.129181|1.900882|1.716282|2.791191|2.212219|2.117613|1.849358|1.755394|1.555649|1.479359|1.557739|1.753837|1.886170|2.974102|0.064048|2.371069|4.959281|2.599054|1.322570|1.281059|2.380262|0.063923|0.068415|0.059418|0.087356|0.061042|0.072895|0.067938|0.132131|0.139064|0.199077|0.173715|0.214760|0.303516|0.500000| |3.090483|3.412405|2.807873|3.719880|0.122210|3.814721|4.254373|4.280894|5.180288|6.258225|6.807900|5.641255|6.775770|8.841889|17.493682|8.833332|4.116391|0.084980|2.493036|2.186013|1.901139|3.079477|2.906588|2.770133|2.345963|2.197014|1.899862|1.781519|1.878116|2.157286|2.380275|3.875857|0.083219|3.183673|6.919878|3.075236|1.539307|1.506323|2.818322|0.080109|0.094660|0.074954|0.110222|0.068782|0.078010|0.075187|0.202368|0.126464|0.130970|0.199105|0.139169|0.214977|0.173686|0.500000| |2.504705|2.790056|2.407397|3.112612|0.097746|3.379639|3.990073|4.213648|5.123640|5.627994|5.519037|4.832052|5.490380|8.808542|17.562127|8.863378|3.616951|0.077072|2.242636|2.025665|1.780481|2.924887|2.526668|2.501690|2.159645|2.078518|1.812070|1.729669|1.854663|2.137727|2.300297|3.735317|0.082861|2.939575|6.296925|3.080590|1.536991|1.480610|2.742149|0.065090|0.074507|0.062702|0.086630|0.060013|0.068594|0.064052|0.140782|0.106522|0.126810|0.139195|0.123127|0.211390|0.214743|0.303872|0.500000| |2.774537|3.338599|2.939979|3.934875|0.117315|4.935726|5.859853|6.789317|9.535138|9.639235|8.895261|6.793299|5.665528|6.777042|8.827110|17.556228|4.439026|0.097942|2.746376|2.446233|2.135615|3.449279|2.867463|2.795758|2.357862|2.227857|1.917346|1.806925|1.924384|2.230895|2.451106|4.053868|0.088991|3.305515|7.401538|3.157777|1.579379|1.514938|2.848032|0.070791|0.079191|0.069670|0.102896|0.072068|0.087958|0.075865|0.174764|0.139678|0.200871|0.131052|0.126952|0.139216|0.199415|0.173410|0.214722|0.500000| |3.230012|3.815266|3.130057|4.836125|0.159653|5.573738|6.130868|6.268491|7.839037|9.636579|8.850945|5.484619|4.832038|5.476347|8.774363|17.553905|5.406674|0.120403|3.115883|2.748443|2.311787|3.728093|3.602598|3.560485|2.885145|2.698363|2.254668|2.098085|2.245400|2.671222|3.022643|5.270044|0.116667|4.472199|11.013284|3.615158|1.778476|1.713727|3.246833|0.079716|0.095751|0.080715|0.115798|0.077273|0.090148|0.079195|0.216065|0.123404|0.139703|0.126482|0.106549|0.122976|0.139028|0.213994|0.211574|0.302575|0.500000| |4.834001|6.219261|6.930574|7.227840|0.145309|6.792738|10.733986|7.093818|5.831828|6.367256|3.590637|3.099673|2.544066|2.311480|2.498536|3.017486|12.418905|0.220161|17.726639|8.886233|7.020521|8.444020|5.572710|4.371190|3.660668|2.982245|2.557519|2.212617|2.149272|2.372397|2.822847|4.279510|0.080144|3.890057|7.277747|3.351638|1.737910|1.745684|3.500923|0.113187|0.113908|0.144476|0.133778|0.220579|0.203073|0.139196|0.102197|0.091781|0.082064|0.070814|0.064719|0.057564|0.061791|0.069484|0.063080|0.079990|0.087375|0.500000| |6.095798|6.351854|6.393473|6.487899|0.142121|4.944919|6.628736|4.960963|4.447050|5.040519|3.122892|2.716886|2.333869|2.128106|2.309726|2.678371|12.361065|0.182956|17.650580|8.787070|6.717811|8.369759|7.102316|4.895817|4.200416|3.228786|2.786746|2.344943|2.216061|2.409239|2.907700|4.275546|0.077910|3.914104|6.926483|3.418572|1.783653|1.832461|3.722299|0.136823|0.138582|0.218158|0.129719|0.230382|0.153618|0.136430|0.093408|0.080446|0.070264|0.066849|0.059454|0.054026|0.055981|0.066082|0.058576|0.069351|0.078376|0.300642|0.500000| |3.673084|3.755261|3.588208|4.410711|0.109704|3.831971|5.531543|4.385352|3.856000|4.139828|2.598494|2.236339|1.965959|1.872880|2.072716|2.398099|9.174543|0.179143|8.777860|17.594379|8.979054|13.602516|6.729663|6.300888|6.260996|4.590805|3.926189|3.134346|2.858784|3.070858|3.822121|5.265141|0.091709|4.599206|7.214427|4.267271|2.228118|2.298374|4.868937|0.086845|0.095820|0.118998|0.087182|0.112169|0.095784|0.084045|0.075392|0.063515|0.059362|0.055454|0.050173|0.047904|0.049979|0.058747|0.054226|0.063388|0.072446|0.173480|0.212442|0.500000| |3.371716|3.773167|3.679441|4.743136|0.114397|4.625366|7.458740|5.725367|4.724235|4.874768|2.899985|2.464619|2.111210|2.021069|2.243878|2.684417|9.600217|0.227907|8.844745|17.556881|8.947066|13.053005|5.607324|5.554941|4.986692|4.085838|3.428785|2.893302|2.778819|3.077754|3.762863|5.489769|0.098891|4.785264|7.953373|4.214235|2.171478|2.162230|4.465486|0.080333|0.087777|0.102219|0.089488|0.110424|0.104821|0.084689|0.081285|0.069309|0.066666|0.058353|0.053721|0.050957|0.054655|0.062191|0.058740|0.072477|0.081295|0.210381|0.173114|0.302595|0.500000| |3.063323|3.422448|3.812853|3.727382|0.087757|3.733813|6.094972|5.000479|4.121135|4.121741|2.488171|2.247960|1.925438|1.800172|1.919127|2.237676|6.265309|0.127482|6.817385|8.848285|17.526327|16.449883|3.744645|3.406710|3.210549|2.759149|2.499552|2.189578|2.086322|2.221213|2.553615|3.629818|0.068206|3.027193|5.293825|3.289190|1.748816|1.757753|3.550657|0.076847|0.076220|0.093585|0.081512|0.122528|0.111220|0.089439|0.069163|0.065258|0.061530|0.053089|0.050205|0.045703|0.049073|0.052913|0.049954|0.061232|0.064763|0.207110|0.162464|0.174942|0.217071|0.500000| |3.358028|3.490640|3.831731|3.620605|0.086628|3.324780|4.965685|4.072256|3.540939|3.691213|2.314085|2.094899|1.831916|1.706232|1.820623|2.077751|6.228489|0.117431|7.004214|8.822684|17.492005|16.477040|4.055537|3.546421|3.451465|2.865546|2.636366|2.258271|2.095014|2.196332|2.547075|3.540293|0.065364|2.969805|5.063891|3.278164|1.757194|1.806874|3.692844|0.084386|0.082669|0.108654|0.081340|0.130314|0.103597|0.091294|0.066179|0.061211|0.056242|0.051429|0.047765|0.043780|0.045931|0.051092|0.047322|0.055784|0.060330|0.178085|0.202948|0.210506|0.174188|0.300984|0.500000| |2.432830|2.549576|2.702865|2.745134|0.068566|2.677991|4.113625|3.587707|3.102277|3.108522|1.968981|1.793098|1.586870|1.511969|1.614753|1.833717|4.569755|0.093858|4.299063|5.980432|9.816338|35.743085|3.095072|3.017963|3.096247|2.767476|2.651000|2.333217|2.158267|2.212108|2.483131|3.338950|0.062366|2.646598|4.429128|3.418122|1.864995|1.897353|3.885102|0.062052|0.062609|0.074958|0.062452|0.084756|0.076001|0.066612|0.055105|0.051318|0.049113|0.043987|0.041625|0.038971|0.041263|0.044800|0.042746|0.050224|0.053493|0.114913|0.112453|0.155580|0.153925|0.230599|0.224298|0.500000| |5.710605|5.084056|4.192688|5.905064|0.157399|4.253775|5.336569|4.214959|3.958541|4.585233|3.021341|2.535167|2.264049|2.134825|2.403372|2.736332|12.234452|0.189257|7.662023|6.533826|4.593818|6.956670|17.668944|8.891987|7.190281|4.668516|3.784122|3.002475|2.781492|3.066353|3.936860|5.731590|0.098344|5.554025|8.828027|4.139846|2.120840|2.218513|4.607660|0.123032|0.157240|0.199827|0.113675|0.126173|0.103300|0.098528|0.093189|0.072220|0.064791|0.065852|0.056790|0.054828|0.055412|0.070598|0.061815|0.069221|0.083549|0.150722|0.231986|0.216410|0.150210|0.108529|0.128106|0.092445|0.500000| |6.796485|6.056071|4.308630|7.721222|0.256095|4.998104|5.650720|4.523110|4.465903|5.496289|3.783776|3.020541|2.715144|2.568786|2.992038|3.418553|12.314969|0.196982|5.801446|4.652052|3.478715|5.375113|17.691053|8.953910|5.996837|4.335466|3.410390|2.822068|2.738433|3.137252|4.036783|6.446512|0.112908|6.843443|12.075958|4.113990|2.062309|2.122020|4.284382|0.137764|0.222975|0.196261|0.141728|0.117883|0.106190|0.102563|0.123404|0.084535|0.075000|0.080422|0.066334|0.065564|0.065179|0.090551|0.075697|0.082889|0.107115|0.130705|0.161068|0.136329|0.120106|0.088228|0.094905|0.073691|0.303139|0.500000| 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