Version2.1 2021-01-15T08:12:40Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H](C(=O)N1CCC(CC1)C(=O)NCC(C)(C)C[NH+](C)C)Oc2ccc(cc2)C(C)(C)C C60093336 RHF 6-31G(d) (6D,7F) C[C@@H](C(=O)N1CCC(CC1)C(=O)NCC(C)(C)C[NH+](C)C)Oc2ccc(cc2)C(C)(C)C C01[X(C26H44N3O3)] 222 C1 568 C[NH+](CC(CNC(=O)C1CCN(CC1)C(=O)[C@@H](Oc1ccc(cc1)C(C)(C)C)C)(C)C)C C[NH+](CC(CNC(=O)C1CCN(CC1)C(=O)[C@@H](Oc1ccc(cc1)C(C)(C)C)C)(C)C)C C[C@H](Oc1ccc(cc1)C(C)(C)C)C(=O)N2CCC(CC2)C(=O)NCC(C)(C)C[NH+](C)C InChIKey=HYFLKHHOMDFHMQ-IBGZPJMESA-O InChI=1S/C26H43N3O3/c1-19(32-22-11-9-21(10-12-22)25(2,3)4)24(31)29-15-13-20(14-16-29)23(30)27-17-26(5,6)18-28(7)8/h9-12,19-20H,13-18H2,1-8H3,(H,27,30)/p+1/t19-/m0/s1 InChI=1/C26H43N3O3/c1-19(32-22-11-9-21(10-12-22)25(2,3)4)24(31)29-15-13-20(14-16-29)23(30)27-17-26(5,6)18-28(7)8/h9-12,19-20H,13-18H2,1-8H3,(H,27,30)/p+1/t19-/m0/s1/fC26H44N3O3/h27-28H/q+1 C[C@@H](C(=O)N1CCC(CC1)C(=O)NCC(C)(C)C[NH+](C)C)Oc2ccc(cc2)C(C)(C)C C01[X(C26H44N3O3)] 222 C01 568 C[NH+](CC(CNC(=O)C1CCN(CC1)C(=O)[C@@H](Oc1ccc(cc1)C(C)(C)C)C)(C)C)C C[NH](CC(CNC(=O)[C@@H]1CCN(CC1)C(=O)[C@@H](O[C]1[CH][CH][C]([CH][CH]1)C(C)(C)C)C)(C)C)C C[C@H](O[C]1[CH][CH][C]([CH][CH]1)C(C)(C)C)C(=O)N2CC[C@H](CC2)C(=O)NCC(C)(C)C[NH](C)C InChIKey=LQAIGZTYSYSEEG-IBGZPJMESA-N InChI=1S/C26H44N3O3/c1-19(32-22-11-9-21(10-12-22)25(2,3)4)24(31)29-15-13-20(14-16-29)23(30)27-17-26(5,6)18-28(7)8/h9-12,19-20,28H,13-18H2,1-8H3,(H,27,30)/t19-/m0/s1 InChI=1/C26H44N3O3/c1-19(32-22-11-9-21(10-12-22)25(2,3)4)24(31)29-15-13-20(14-16-29)23(30)27-17-26(5,6)18-28(7)8/h9-12,19-20,28H,13-18H2,1-8H3,(H,27,30)/t19-/m0/s1/f/h27H 3142.7958832004 -1397.9409309 1-A 37592.0870 122 446 568 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0.8569 0.4167 0.8546 0.8457 0.4404 0.8057 0.8566 0.8571 0.6968 0.2521 0.2825 0.2740 0.3023 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 6 6 1 6 8 7 6 6 6 6 6 6 8 7 6 6 6 6 6 7 1 6 6 8 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 1.00783 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 4172.1142 63136.7642 64935.7092 1.00000 0.00175 -0.00034 -0.00175 0.99994 0.01077 0.00036 -0.01077 0.99994 1 0.02076 0.00137 0.00133 0.43257 0.02858 0.02779 6.67 15.09 19.24 24.58 39.39 46.83 55.30 64.48 71.91 92.58 99.84 133.86 138.05 156.50 175.12 194.28 231.76 240.88 286.25 320.35 330.22 337.31 346.01 371.22 378.96 382.32 399.51 416.96 422.49 428.85 435.31 439.29 447.21 465.32 486.64 499.18 511.82 531.33 548.03 560.97 565.54 579.24 599.57 620.48 623.98 660.53 670.73 675.46 696.35 697.51 709.56 718.91 769.78 782.93 801.08 815.42 856.46 895.78 952.15 982.48 1013.95 1051.10 1124.38 1154.50 1166.95 1169.75 1193.52 1207.24 1280.96 1288.44 1294.06 1312.41 1323.41 1332.93 1366.59 1373.73 1391.52 1402.16 1427.77 1452.80 1467.01 1468.63 1481.93 1484.66 1504.69 1510.80 1540.25 1546.10 1549.49 1559.74 1579.70 1581.82 1596.32 1611.85 1625.59 1640.24 1642.82 1660.42 1681.27 1684.04 1688.02 1730.84 1740.81 1746.62 1769.64 1779.18 1799.49 1824.20 1835.17 1857.42 1860.73 1885.67 1896.81 1907.18 1920.91 1942.80 1949.90 1960.57 1966.99 1969.10 2003.23 2030.01 2035.81 2046.52 2047.23 2070.39 2087.91 2110.07 2120.15 2144.04 2155.19 2175.20 2179.39 2189.65 2221.95 2233.25 2235.87 2236.76 2240.52 2247.92 2250.85 2265.15 2265.99 2269.40 2275.25 2281.98 2282.56 2292.39 2319.33 2328.85 2332.25 2340.36 2340.55 2342.76 2347.01 2351.16 2352.19 2352.32 2357.01 2362.83 2366.19 2368.84 2373.31 2375.81 2376.33 2377.78 2379.28 2385.13 2390.20 2393.38 2399.95 2401.47 2437.22 2440.70 2547.72 2621.01 2819.89 2826.41 4557.16 4564.58 4581.08 4581.45 4594.41 4605.01 4606.60 4617.25 4621.12 4636.99 4637.78 4638.18 4670.73 4690.48 4691.60 4692.81 4694.19 4699.51 4703.91 4706.74 4710.57 4711.81 4713.59 4716.70 4721.14 4729.04 4737.64 4749.39 4751.54 4760.99 4791.22 4800.73 4820.05 4835.98 4842.80 4845.50 4847.10 4848.64 4855.71 4875.42 4882.05 4907.97 5361.98 5578.32 0.731839 0.765182 0.766127 0.660539 -1397.209092 -1397.175748 -1397.174804 -1397.280392 3.541439D-04 MUNgauss RevisionA2.0 retrievium 15-Jan-2021 DUDE C[C@@H](C(=O)N1CCC(CC1)C(=O)NCC(C)(C)C[NH+](C)C)Oc2ccc(cc2)C(C)(C)C C60093336 RHF 6-31G(d) (6D,10F) C1 446.338268 |X|Y|Z| 186.637367 43.225597 29.814863 62.190513 15 6 7 8 13 1 1 |36.858105| |12.446405|36.858105| |8.783883|17.626943|0.500000| |7.607053|12.403447|0.245142|36.858105| |5.876141|8.018949|0.167170|15.946675|73.516695| |5.975929|7.638310|0.197433|13.872297|15.101167|53.358707| |4.234985|4.976190|0.129771|7.871849|12.588524|17.828139|36.858105| |3.701355|3.921988|0.104182|5.282965|8.560313|10.563867|12.486946|36.858105| |3.521853|3.674342|0.103410|4.483766|6.868140|8.942163|7.551324|12.367839|36.858105| |4.430348|4.527239|0.132309|5.170418|7.291805|10.556131|6.558441|7.589051|12.446661|36.858105| |5.417741|6.397122|0.199177|7.550315|9.419023|17.843842|7.813021|6.545983|7.541212|12.458461|36.858105| |2.973237|2.955630|0.082460|3.417554|5.452981|6.053040|4.940068|7.617317|12.550610|7.561572|4.916290|36.858105| |3.017778|2.872569|0.079480|3.211999|5.126226|5.452877|4.174830|5.919700|7.949148|6.690920|4.409225|15.881339|73.516695| |2.476204|2.504712|0.070111|2.879524|4.734477|4.897474|4.146295|5.878701|7.795447|5.148507|3.864611|13.908475|15.124339|53.358707| |2.167852|2.153222|0.059820|2.422587|4.058226|3.937156|3.251336|4.320290|5.030747|3.853019|3.039329|7.785604|12.308692|17.975427|36.858105| |1.951665|1.933696|0.054427|2.116236|3.527241|3.375682|2.684364|3.335665|3.973355|3.323694|2.674903|5.524404|9.467768|10.297118|12.281735|36.858105| |1.812679|1.832004|0.052029|2.004593|3.353461|3.184738|2.549839|3.054019|3.614427|3.029348|2.531960|4.519627|7.244896|8.492660|7.542434|12.401170|36.858105| |2.068832|2.023202|0.057533|2.168738|3.551452|3.464880|2.650411|3.242257|4.051946|3.632270|2.841114|5.619585|10.531652|8.658952|7.508070|12.403722|7.556123|36.858105| |1.755686|1.722305|0.048046|1.869851|3.160191|2.908830|2.300647|2.794123|3.130695|2.710114|2.252373|4.100269|7.453707|6.863835|7.799118|12.356981|7.512879|7.521802|36.858105| |1.587380|1.556326|0.043686|1.662495|2.808065|2.551197|1.981223|2.327334|2.607712|2.346810|1.991157|3.236010|5.919480|5.127347|4.947349|7.426033|6.188866|6.248989|12.519376|53.358707| |1.606132|1.581799|0.044734|1.682738|2.823942|2.593487|2.001448|2.336040|2.672910|2.424159|2.052387|3.291026|5.945545|5.215713|4.794799|7.684154|7.072505|7.113322|9.265470|25.767511|0.500000| |1.555064|1.504366|0.042126|1.587905|2.680209|2.410556|1.841816|2.143658|2.381488|2.208236|1.879904|2.920244|5.562102|4.360899|4.013042|5.305535|4.320929|5.305439|7.597813|17.350210|0.261234|36.858105| |1.432907|1.415372|0.039660|1.513461|2.581028|2.298733|1.796736|2.074056|2.267682|2.038341|1.772563|2.708935|4.839278|4.300428|3.983084|5.252868|5.174331|4.323175|7.593787|17.365562|0.261224|7.736765|36.858105| |7.921866|13.669777|0.261278|8.118395|13.055500|7.208843|4.020316|3.206952|2.959961|3.425611|4.474695|2.461612|4.253931|2.928635|1.885362|1.706603|1.631962|1.767067|1.540690|1.909880|0.039512|1.358810|1.289874|73.516695| |5.888768|7.943283|0.209479|5.312277|8.686730|5.501212|3.219549|2.670219|2.549459|2.945857|3.729454|2.166655|3.761344|2.615545|1.701296|1.565725|1.508877|1.630014|1.419701|1.779909|0.036950|1.270665|1.206669|24.967945|36.858105| |5.511551|6.568033|0.203913|4.410749|6.890681|4.984043|2.911080|2.496465|2.473398|2.929268|3.649316|2.125887|3.721934|2.561940|1.670721|1.558031|1.502350|1.643819|1.410032|1.781245|0.037157|1.277069|1.203441|13.892402|13.748821|36.858105| |3.977294|4.450486|0.135427|3.364965|5.466858|3.968582|2.425908|2.123735|2.120237|2.454745|2.942814|1.858709|3.259078|2.276380|1.501493|1.415922|1.374793|1.492434|1.290251|1.644798|0.034350|1.182111|1.117677|9.210396|7.943076|13.727186|36.858105| |3.321797|3.733582|0.108406|3.001392|5.083823|3.524449|2.221770|1.941842|1.910654|2.153183|2.546848|1.686386|2.945287|2.090695|1.388268|1.308374|1.276298|1.365598|1.200001|1.532052|0.031910|1.099732|1.048322|8.108378|6.745731|7.819408|13.712847|36.858105| |3.426676|3.978243|0.110190|3.267805|5.731627|3.715197|2.361378|2.028591|1.952439|2.168947|2.586883|1.712184|2.974516|2.125719|1.409397|1.316061|1.283118|1.360975|1.208642|1.534308|0.031842|1.097828|1.052417|9.403279|7.929073|6.911877|8.057295|13.658991|36.858105| |4.258339|5.269079|0.138505|4.194927|7.447135|4.502579|2.799682|2.343628|2.215035|2.471771|3.023356|1.911907|3.309514|2.350292|1.545075|1.426443|1.383758|1.471164|1.304230|1.641783|0.034007|1.171502|1.122189|14.590656|13.740748|7.981015|6.944802|7.845147|13.791499|36.858105| |2.650219|2.881484|0.083773|2.421371|4.136249|2.933924|1.894254|1.687041|1.673419|1.863177|2.147394|1.499590|2.625421|1.878973|1.259177|1.197588|1.173537|1.249838|1.104696|1.421107|0.029623|1.022588|0.976771|5.925690|4.367145|4.963311|7.495512|12.382339|7.375801|4.939974|36.858105| |2.435839|2.677860|0.080146|2.289452|3.864580|2.843282|1.845919|1.650675|1.660481|1.847756|2.126010|1.487946|2.591868|1.874831|1.254027|1.201056|1.185700|1.256431|1.103783|1.425946|0.029855|1.023314|0.981063|5.288705|3.748863|4.362644|6.205359|7.565702|5.255334|3.996173|12.362267|36.858105| |2.323696|2.528289|0.071856|2.200731|3.853263|2.666668|1.757661|1.566431|1.537062|1.680822|1.920095|1.384185|2.416903|1.749038|1.178168|1.118943|1.099609|1.158263|1.037578|1.335297|0.027760|0.959691|0.922931|5.248322|3.688729|3.820160|4.946707|7.464480|6.576026|4.454965|12.399571|7.656639|36.858105| |2.547688|2.644484|0.076136|2.216834|3.773296|2.712516|1.753184|1.588296|1.583321|1.769264|1.999375|1.436971|2.542353|1.797121|1.213297|1.159020|1.129577|1.215812|1.074755|1.387741|0.028897|1.005198|0.952507|5.291236|3.748799|4.363738|6.202775|7.565684|5.260661|3.997768|12.362150|7.575010|7.656200|36.858105| |17.563081|8.734470|0.209186|6.845026|9.195793|8.700687|4.476045|4.127384|4.070683|5.463018|6.297799|3.438465|6.330664|3.776129|2.407897|2.160021|1.979884|2.322380|1.925803|2.356312|0.048729|1.698767|1.545634|10.111030|4.557728|4.508203|3.438103|2.884866|2.916611|3.480229|2.375030|2.232819|2.090200|2.302721|0.500000| |17.595793|8.811945|0.209852|5.517131|8.130049|6.227565|3.446459|3.085311|3.018784|3.754857|4.440334|2.621186|4.770090|3.022800|1.972262|1.806281|1.685138|1.928286|1.636838|2.037932|0.042170|1.476650|1.355086|12.662638|6.226189|6.441418|4.580702|3.681446|3.670554|4.429261|2.911906|2.637635|2.496144|2.860524|0.300788|0.500000| |17.585986|8.885574|0.173549|7.045893|11.037528|7.322576|4.106388|3.626529|3.300232|3.917418|4.545123|2.845017|5.163650|3.255763|2.121459|1.893257|1.750115|1.981918|1.722965|2.112484|0.043305|1.523855|1.406872|12.795709|5.236123|4.606687|3.508402|3.069322|3.260992|4.077543|2.481796|2.251406|2.227844|2.398913|0.300523|0.301554|0.500000| |4.094468|4.777922|0.118514|7.750675|15.240229|12.565082|17.710537|8.844858|5.503610|4.920955|5.692558|4.101777|6.420334|4.866365|2.938905|2.434447|2.311138|2.375495|2.139233|2.517001|0.051462|1.728937|1.694614|7.273721|3.219696|2.826598|2.366919|2.205303|2.389068|2.863836|1.877747|1.808489|1.763006|1.735757|0.115306|0.092698|0.115936|0.500000| |3.628879|4.384490|0.120270|6.325427|10.375117|12.414779|17.473622|8.845022|6.796663|5.743352|6.998746|4.534830|6.644530|5.508594|3.150663|2.645905|2.592686|2.588120|2.249735|2.657380|0.055177|1.795925|1.785892|6.565376|3.065975|2.795875|2.368960|2.186442|2.318653|2.713087|1.878060|1.854170|1.749230|1.721436|0.104691|0.085096|0.096181|0.302571|0.500000| |3.952945|3.945180|0.101505|5.191045|8.553724|9.469239|8.876977|17.553378|8.834574|6.836453|5.744929|7.064025|11.220654|7.157284|4.173408|3.220831|2.854069|3.168136|2.775729|3.139870|0.063606|2.163181|2.044958|5.725604|2.658657|2.480882|2.104243|1.922166|2.009810|2.327686|1.668726|1.616606|1.549478|1.586137|0.124743|0.090424|0.110982|0.215738|0.173789|0.500000| |3.090079|3.279655|0.087451|4.278748|7.359473|7.663071|8.887936|17.525303|8.748785|5.502326|4.897714|6.885863|9.348148|8.505862|4.654184|3.466297|3.220836|3.205346|2.921681|3.265019|0.066360|2.174469|2.164627|4.982369|2.377803|2.218985|1.921812|1.781908|1.867896|2.135728|1.564902|1.535279|1.467787|1.472536|0.093219|0.073391|0.085419|0.212395|0.215947|0.301925|0.500000| |3.138419|3.395194|0.097930|4.094926|6.367493|7.884502|6.858584|8.869176|17.489742|8.869949|6.825143|8.933706|10.565184|10.256995|4.798446|3.939516|3.821789|3.932819|3.053054|3.508686|0.074360|2.312312|2.271567|4.982335|2.456800|2.391371|2.074085|1.879911|1.917914|2.158161|1.656069|1.661053|1.525218|1.555062|0.097584|0.076211|0.081235|0.140385|0.202330|0.174031|0.214521|0.500000| |4.921798|4.581256|0.128178|5.059563|7.220741|9.421176|5.732536|6.832444|8.887992|17.592487|8.859093|7.048641|13.096214|6.409829|3.740752|3.217524|2.838944|3.558906|2.695264|3.172798|0.066145|2.236790|2.012359|6.122198|2.937905|2.922691|2.438895|2.134011|2.149300|2.454443|1.845196|1.808169|1.663484|1.773810|0.181265|0.114297|0.122226|0.128689|0.132421|0.201434|0.139622|0.174345|0.500000| |3.864677|3.918426|0.118948|4.178341|6.052992|7.663624|4.911203|5.505490|8.805763|17.539057|8.880148|6.814650|11.114615|6.749852|3.784797|3.442913|3.172125|3.945721|2.762593|3.314630|0.071052|2.293510|2.096279|5.443339|2.732652|2.797716|2.389835|2.085233|2.065749|2.308637|1.826555|1.834763|1.639192|1.742885|0.130033|0.095400|0.094097|0.108187|0.128803|0.139616|0.123002|0.214931|0.302755|0.500000| |4.342406|5.336136|0.173918|6.155685|8.313986|12.407773|6.971944|5.701890|6.750227|8.825515|17.475228|4.499226|6.934966|5.118151|2.940881|2.630708|2.567447|2.768482|2.198506|2.666819|0.056539|1.830455|1.758509|7.225118|3.530366|3.481007|2.879778|2.517209|2.547528|2.931871|2.141927|2.159563|1.920855|1.969336|0.131812|0.104086|0.103645|0.143354|0.206470|0.132069|0.127741|0.199800|0.173634|0.216328|0.500000| |6.527901|7.547317|0.265655|7.119365|8.768019|12.383432|5.656586|4.916831|5.530226|8.943579|17.694459|4.105885|6.937628|4.483619|2.695597|2.434542|2.298830|2.633583|2.083338|2.546292|0.053633|1.790639|1.666565|8.812884|4.219582|4.318863|3.378404|2.824358|2.811804|3.281540|2.351521|2.323475|2.061561|2.200963|0.216634|0.151301|0.139571|0.127582|0.142829|0.129111|0.107994|0.140428|0.217871|0.215284|0.303678|0.500000| |2.405814|2.492770|0.069948|2.909763|4.831233|4.963083|4.381671|6.032747|7.509462|4.821983|3.849929|9.376500|10.916140|26.066865|9.074515|6.126753|5.945367|5.060087|4.359548|4.611827|0.096214|2.860185|2.964399|3.839797|1.928872|1.876446|1.670393|1.542680|1.575934|1.743941|1.386277|1.387155|1.295370|1.316705|0.073667|0.059865|0.064576|0.104553|0.124271|0.139965|0.192165|0.233535|0.118035|0.127485|0.107682|0.089727|0.500000| |2.245084|2.185633|0.060084|2.448897|4.110842|3.940840|3.207402|4.305601|4.821973|3.836544|3.001680|7.604529|14.280464|12.656714|17.618128|8.798687|5.506579|6.816064|7.311992|6.402781|0.122160|4.104356|3.740390|3.394635|1.715590|1.682811|1.507943|1.392357|1.414638|1.554434|1.260757|1.247899|1.178928|1.220989|0.069778|0.056639|0.061574|0.081621|0.083829|0.122590|0.125562|0.120190|0.108421|0.102821|0.078629|0.074812|0.184889|0.500000| |2.019123|2.024748|0.055933|2.295496|3.913637|3.677609|3.106200|4.035447|4.363534|3.349898|2.764381|5.918640|9.235300|12.581725|17.547593|8.812584|7.013681|5.490807|7.161614|6.327710|0.121778|3.702911|4.036530|3.194617|1.622692|1.581732|1.427700|1.330773|1.358340|1.487762|1.210072|1.204141|1.139520|1.162979|0.061368|0.051078|0.055364|0.079674|0.084701|0.107407|0.127193|0.119153|0.089897|0.090032|0.075128|0.068095|0.231764|0.302087|0.500000| |1.923476|1.967578|0.056360|2.162710|3.586839|3.486477|2.798955|3.339409|4.104834|3.387031|2.820670|4.975825|7.556329|9.489976|6.901618|8.823371|17.598196|6.892400|5.485629|6.355550|0.147430|3.578638|4.012858|3.096409|1.608817|1.603770|1.462830|1.353539|1.359666|1.469316|1.240478|1.258128|1.158840|1.188185|0.058434|0.049503|0.051157|0.069261|0.080366|0.084337|0.097202|0.126184|0.085558|0.099893|0.080867|0.070311|0.195894|0.140491|0.173326|0.500000| |1.688524|1.701902|0.048554|1.835369|3.069325|2.877512|2.261269|2.637514|3.096348|2.708025|2.300649|3.733651|6.205745|6.408128|5.445948|8.653820|17.504182|6.855962|6.646582|9.155149|0.242890|4.596823|5.737239|2.711627|1.423203|1.426461|1.314902|1.221663|1.222104|1.308976|1.130155|1.146103|1.058895|1.091131|0.051049|0.044009|0.045180|0.057280|0.063943|0.069114|0.076062|0.090651|0.070968|0.079960|0.065032|0.058957|0.125044|0.122277|0.141640|0.304989|0.500000| |1.721691|1.749307|0.049360|1.928698|3.267355|3.038210|2.473704|2.941811|3.331737|2.760061|2.362282|4.033308|6.414281|7.592890|6.861872|8.712674|17.534437|5.473660|6.881488|7.625322|0.163341|3.932354|5.268503|2.795393|1.452191|1.435621|1.316612|1.230457|1.243495|1.341274|1.132860|1.142573|1.067451|1.088117|0.051760|0.044404|0.046523|0.063142|0.070283|0.076260|0.088541|0.098225|0.072064|0.078462|0.066696|0.059409|0.157679|0.141447|0.210049|0.301702|0.300909|0.500000| |2.164006|2.075821|0.058564|2.213134|3.620108|3.514971|2.655407|3.274525|4.018782|3.705844|2.860872|5.691998|12.110697|7.889875|6.871617|8.720575|5.477811|17.589342|6.840584|7.647157|0.162734|5.379549|3.931135|3.210263|1.659660|1.674218|1.514646|1.382289|1.377571|1.492544|1.262349|1.261520|1.168033|1.234292|0.068135|0.056014|0.057850|0.066542|0.070525|0.091854|0.088461|0.103450|0.105259|0.110125|0.075583|0.074436|0.125864|0.203860|0.140230|0.140976|0.139476|0.122088|0.500000| |1.893597|1.853281|0.052959|1.959188|3.218796|3.078812|2.328033|2.754763|3.356763|3.117190|2.525040|4.294920|7.986581|6.466483|5.439384|8.686202|6.841524|17.491951|6.714936|9.368343|0.247948|5.964244|4.642794|2.905919|1.524034|1.546772|1.417325|1.299515|1.288829|1.382312|1.197960|1.209363|1.110892|1.168921|0.058542|0.049590|0.050317|0.058489|0.063705|0.074767|0.075685|0.092258|0.084797|0.095125|0.069077|0.066088|0.112717|0.139598|0.122388|0.169264|0.203604|0.139730|0.299574|0.500000| |2.237236|2.208397|0.063525|2.368880|3.824081|3.855751|2.923644|3.574577|4.764141|4.299546|3.264726|6.547427|11.550982|9.642775|6.827677|8.821511|6.931223|17.629599|5.488323|6.408898|0.148718|4.098008|3.577674|3.390218|1.757032|1.779176|1.607094|1.461190|1.452566|1.574017|1.331585|1.343717|1.227805|1.290034|0.070251|0.057709|0.058782|0.071282|0.079906|0.094725|0.096150|0.130890|0.113098|0.135460|0.089178|0.083342|0.156830|0.166300|0.140572|0.207564|0.171675|0.140838|0.303717|0.304718|0.500000| |1.810074|1.752290|0.048563|1.897065|3.208509|2.936480|2.305133|2.818100|3.113890|2.734369|2.258396|4.128287|7.944645|6.481122|7.179844|8.775663|5.481116|6.865612|17.642067|12.335090|0.191598|7.838525|5.984390|2.781644|1.437443|1.426720|1.302324|1.209587|1.218918|1.317836|1.111704|1.105474|1.043351|1.085740|0.055407|0.046856|0.049614|0.059893|0.061620|0.079763|0.080942|0.081974|0.077360|0.076664|0.060304|0.058371|0.111691|0.224892|0.176663|0.123087|0.137236|0.140841|0.204354|0.165974|0.140958|0.500000| |1.676753|1.656645|0.046009|1.812184|3.095391|2.803176|2.250622|2.717684|2.951751|2.519447|2.135333|3.745591|6.596111|6.396364|7.131913|8.756477|6.886764|5.479014|17.633718|12.328936|0.192824|5.938297|7.837059|2.654618|1.374505|1.356537|1.243459|1.163135|1.176962|1.270458|1.071743|1.069722|1.011504|1.040036|0.050637|0.043350|0.045983|0.058752|0.061488|0.074645|0.080784|0.080797|0.069215|0.070275|0.058196|0.054615|0.118499|0.180631|0.217840|0.141407|0.165412|0.206922|0.139984|0.138394|0.122937|0.302525|0.500000| |1.669348|1.602123|0.044928|1.683663|2.821011|2.566489|1.941804|2.273725|2.563525|2.408544|2.020068|3.192100|6.268843|4.636242|4.204049|5.526422|4.252257|6.253362|7.059150|12.297578|0.224030|17.664463|5.619888|2.554364|1.341755|1.353628|1.248673|1.155497|1.150503|1.229747|1.071616|1.071443|1.001388|1.055523|0.051085|0.044039|0.045280|0.050331|0.052225|0.064164|0.063184|0.068278|0.068434|0.070034|0.054217|0.053660|0.082632|0.122761|0.103104|0.100775|0.122946|0.103820|0.190819|0.196897|0.130019|0.220494|0.146126|0.500000| |1.517422|1.463061|0.040694|1.548366|2.631923|2.335280|1.792088|2.085740|2.267968|2.095530|1.797187|2.764606|5.289181|4.101889|3.802165|4.642403|3.784931|4.419179|6.894132|12.327558|0.181885|17.648674|7.043747|2.359478|1.238523|1.239119|1.147003|1.070655|1.072412|1.145503|0.995544|0.992375|0.937204|0.979624|0.045882|0.039989|0.041613|0.047158|0.048297|0.059036|0.059114|0.060712|0.059435|0.059594|0.048370|0.047546|0.075154|0.111365|0.100242|0.088258|0.107742|0.099696|0.128637|0.128857|0.098162|0.218908|0.164065|0.299126|0.500000| |1.453671|1.409601|0.039613|1.477078|2.494396|2.227144|1.690749|1.936587|2.147214|2.017673|1.741213|2.564490|4.830245|3.792663|3.345586|4.320553|3.813696|4.438874|5.551849|12.292849|0.225723|17.644508|7.144787|2.275359|1.204679|1.215259|1.131379|1.054231|1.049261|1.114078|0.984976|0.988518|0.925052|0.969830|0.043894|0.038580|0.039485|0.044169|0.046050|0.054027|0.054398|0.058450|0.056515|0.058577|0.047377|0.046376|0.070404|0.093359|0.086977|0.089763|0.117290|0.097190|0.121978|0.144640|0.100064|0.151450|0.130252|0.299163|0.299100|0.500000| |1.436756|1.432137|0.040200|1.540736|2.631705|2.349167|1.853478|2.136506|2.335772|2.070709|1.809522|2.765823|4.811762|4.510261|4.139061|5.420255|6.008927|4.218143|7.034200|12.302887|0.224496|5.619482|17.658179|2.322285|1.221065|1.214712|1.127821|1.059541|1.065726|1.137282|0.986559|0.992918|0.933400|0.958067|0.042926|0.037639|0.039133|0.048475|0.051656|0.057779|0.062594|0.065986|0.056102|0.059061|0.050290|0.046940|0.088369|0.103461|0.120503|0.125826|0.186838|0.183766|0.103085|0.123045|0.099924|0.146654|0.221512|0.126159|0.143313|0.145505|0.500000| |1.353904|1.336522|0.037566|1.417232|2.414645|2.138830|1.655617|1.884996|2.063065|1.887012|1.655631|2.419177|4.340987|3.750647|3.326500|4.287776|4.340171|3.820680|5.549110|12.295218|0.225155|7.160668|17.644566|2.173332|1.150389|1.152090|1.075196|1.009214|1.009844|1.071891|0.944304|0.950648|0.892352|0.922876|0.040460|0.035774|0.036850|0.043422|0.045810|0.051633|0.054178|0.057567|0.051767|0.054278|0.045750|0.043576|0.072291|0.087649|0.092197|0.097971|0.139389|0.119728|0.097314|0.118512|0.089898|0.130945|0.151428|0.145513|0.175427|0.219806|0.299255|0.500000| |1.402475|1.380462|0.038449|1.479156|2.538300|2.233447|1.751486|2.022635|2.169768|1.948159|1.702607|2.583657|4.652512|4.056540|3.783139|4.614213|4.337354|3.797091|6.906209|12.328728|0.181842|7.023412|17.648284|2.244515|1.178786|1.171098|1.087464|1.022780|1.029816|1.099155|0.952861|0.953484|0.902719|0.930267|0.041913|0.036816|0.038492|0.046283|0.048086|0.055924|0.058925|0.059802|0.053874|0.055013|0.046649|0.044494|0.077746|0.101917|0.109155|0.096659|0.125306|0.126366|0.099996|0.108955|0.088376|0.166437|0.217762|0.143235|0.211154|0.174219|0.299084|0.299170|0.500000| |6.400304|7.148744|0.244690|4.597870|6.840221|5.387021|3.057536|2.660434|2.694277|3.304787|4.136582|2.309322|4.071362|2.745872|1.781464|1.664719|1.596190|1.776464|1.497780|1.890639|0.039542|1.358175|1.268401|12.347955|8.852052|17.747650|8.973200|5.619676|4.975448|5.646778|4.084111|3.791981|3.211729|3.798793|0.149598|0.218585|0.137504|0.080647|0.080784|0.073645|0.064790|0.071730|0.092236|0.088489|0.107311|0.143887|0.055431|0.049943|0.046430|0.047440|0.042093|0.042068|0.050438|0.046350|0.053743|0.042170|0.039776|0.040214|0.036482|0.035851|0.035488|0.033718|0.034196|0.500000| |3.610268|3.872487|0.120246|3.001246|4.833512|3.663256|2.255838|2.012436|2.044069|2.379615|2.795839|1.810912|3.191866|2.221821|1.471201|1.399893|1.360273|1.486527|1.276190|1.636347|0.034271|1.179796|1.110494|7.457434|5.677679|9.025058|17.723482|8.906094|5.685350|4.990339|6.971332|6.520750|4.505487|6.523062|0.089872|0.116531|0.087923|0.060513|0.061372|0.055379|0.050672|0.055659|0.065725|0.065492|0.076336|0.089772|0.045109|0.041016|0.038725|0.040184|0.036321|0.036050|0.041902|0.039427|0.044499|0.035764|0.034047|0.034678|0.031716|0.031464|0.031071|0.029770|0.029947|0.220685|0.500000| |2.934510|3.344754|0.091637|2.882297|5.179301|3.324239|2.166253|1.873621|1.793784|1.960176|2.301273|1.585945|2.752035|1.986796|1.325314|1.239129|1.211865|1.274264|1.143702|1.454781|0.030142|1.040635|1.002698|7.652962|5.676556|4.976711|5.685507|8.872398|17.763714|9.052827|6.787567|4.878078|7.582926|4.883942|0.070614|0.085889|0.079292|0.061440|0.059420|0.051550|0.048457|0.049134|0.053915|0.051913|0.063318|0.068274|0.041028|0.036919|0.035668|0.035570|0.032106|0.032762|0.035770|0.033596|0.037609|0.032010|0.031049|0.030187|0.028297|0.027670|0.028227|0.026751|0.027304|0.107976|0.124189|0.500000| |3.981715|4.911219|0.123489|4.242818|8.033904|4.485234|2.863717|2.374245|2.196075|2.399615|2.911312|1.896248|3.268851|2.343204|1.543293|1.415395|1.373435|1.446752|1.298182|1.628300|0.033616|1.159218|1.116676|13.537037|8.981127|5.679431|4.990731|5.599925|8.893132|17.736603|4.032942|3.363657|3.904096|3.364457|0.091185|0.110323|0.110689|0.083473|0.076979|0.065607|0.060632|0.059416|0.066204|0.061592|0.078370|0.085353|0.048508|0.043153|0.041538|0.040424|0.035975|0.037181|0.040753|0.037665|0.042825|0.036445|0.035295|0.033697|0.031589|0.030570|0.031484|0.029564|0.030470|0.124271|0.108186|0.217746|0.500000| |2.411477|2.720198|0.081835|2.361783|4.003110|2.935412|1.916323|1.697602|1.703134|1.882484|2.186454|1.515648|2.619503|1.916977|1.276971|1.220420|1.210923|1.270876|1.118238|1.441915|0.030211|1.029862|0.993916|5.396523|3.793659|4.245506|5.641562|6.894460|5.332583|4.117231|8.744077|17.551290|6.923950|5.490081|0.061467|0.071174|0.061947|0.052163|0.054014|0.045825|0.043985|0.047682|0.050683|0.051802|0.062488|0.065739|0.039624|0.035150|0.034151|0.035808|0.032461|0.032483|0.035295|0.033931|0.037835|0.031011|0.030173|0.029891|0.027726|0.027615|0.028031|0.026721|0.026812|0.101943|0.153992|0.140117|0.097489|0.500000| 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