Version2.0 2020-01-11T03:17:00Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 28-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)C[C@@H](C(=O)NCC(C)C)NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@@H]4N1C(=O)c5c4cccc5 C63383571 RHF 6-31G(d) (6D,7F) CC(C)C[C@@H](C(=O)NCC(C)C)NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@@H]4N1C(=O)c5c4cccc5 C01[X(C29H35N4O3)] 207 C1 610 CC(CNC(=O)[C@@H](NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@@H]2N1C(=O)c1c2cccc1)CC(C)C)C CC(CNC(=O)[C@@H](NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@@H]2N1C(=O)c1c2cccc1)CC(C)C)C CC(C)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC2=C3C=CC=CC3=[NH+][C@H]2[C@@H]4N1C(=O)c5ccccc45 InChIKey=OOKPTTZIYQAQDM-QEGGNFSNSA-O InChI=1S/C29H34N4O3/c1-16(2)13-23(27(34)30-15-17(3)4)32-28(35)24-14-21-18-9-7-8-12-22(18)31-25(21)26-19-10-5-6-11-20(19)29(36)33(24)26/h5-12,16-17,23-26H,13-15H2,1-4H3,(H,30,34)(H,32,35)/p+1/t23-,24-,25+,26+/m0/s1 InChI=1/C29H34N4O3/c1-16(2)13-23(27(34)30-15-17(3)4)32-28(35)24-14-21-18-9-7-8-12-22(18)31-25(21)26-19-10-5-6-11-20(19)29(36)33(24)26/h5-12,16-17,23-26H,13-15H2,1-4H3,(H,30,34)(H,32,35)/p+1/t23-,24-,25+,26+/m0/s1/fC29H35N4O3/h30-32H/q+1 CC(C)C[C@@H](C(=O)NCC(C)C)NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@@H]4N1C(=O)c5c4cccc5 C01[X(C29H35N4O3)] 207 C01 610 CC(CNC(=O)[C@@H](NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@@H]2N1C(=O)c1c2cccc1)CC(C)C)C CC(CNC(=O)[C@@H](NC(=O)[C@@H]1CC2=C3C=CC=C[C@H]3N[C@H]2[C@@H]2N1C(=O)c1c2cccc1)CC(C)C)C CC(C)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC2=C3C=CC=C[C@H]3N[C@H]2[C@@H]4N1C(=O)c5ccccc45 InChIKey=YGDMJHSMOQXGFH-RSFKBIFASA-N InChI=1S/C29H36N4O3/c1-16(2)13-23(27(34)30-15-17(3)4)32-28(35)24-14-21-18-9-7-8-12-22(18)31-25(21)26-19-10-5-6-11-20(19)29(36)33(24)26/h5-12,16-17,22-26,31H,13-15H2,1-4H3,(H,30,34)(H,32,35)/t22-,23+,24+,25-,26-/m1/s1 InChI=1/C29H36N4O3/c1-16(2)13-23(27(34)30-15-17(3)4)32-28(35)24-14-21-18-9-7-8-12-22(18)31-25(21)26-19-10-5-6-11-20(19)29(36)33(24)26/h5-12,16-17,22-26,31H,13-15H2,1-4H3,(H,30,34)(H,32,35)/t22-,23+,24+,25-,26-/m1/s1/f/h30,32H 3911.5167383540 -1560.8225472 1-A 22364.9016 130 480 610 |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| -20.63770 -20.62334 -20.59564 -15.77019 -15.70906 -15.67675 -15.65571 -11.48205 -11.46010 -11.44923 -11.44796 -11.44189 -11.42183 -11.41938 -11.41891 -11.40744 -11.40174 -11.40001 -11.38561 -11.37914 -11.37891 -11.36856 -11.35511 -11.35431 -11.35160 -11.35023 -11.34794 -11.34159 -11.31794 -11.29887 -11.29575 -11.28548 -11.27258 -11.27211 -11.26409 -11.26139 -1.50969 -1.49125 -1.47930 -1.46495 -1.40116 -1.33308 -1.30665 -1.30467 -1.28355 -1.26238 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0.7994 0.7265 0.5532 0.7902 0.8078 0.5447 0.7939 0.5046 0.2091 0.6897 0.6421 0.7393 0.0828 0.2294 0.2375 0.0368 0.5900 0.1799 0.8567 0.7212 0.1680 0.7918 0.8571 0.3092 0.7523 0.7979 0.7131 0.8559 0.8503 0.5106 0.2008 0.7972 0.7637 0.6120 0.7592 0.7389 0.5353 0.8569 0.2311 0.4769 0.2490 0.1891 0.3089 0.4280 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 6 6 6 6 6 1 6 8 7 6 6 6 6 7 6 8 6 1 6 6 6 6 6 6 6 6 7 1 6 1 6 1 7 6 8 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 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 1.00783 12.00000 1.00783 14.00307 12.00000 15.99491 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 10143.5367 31586.3396 37610.1366 1.00000 0.00157 -0.00178 -0.00159 0.99994 -0.01096 0.00177 0.01096 0.99994 1 0.00854 0.00274 0.00230 0.17792 0.05714 0.04799 10.86 20.37 27.46 33.68 47.69 54.83 67.41 76.62 83.01 86.21 92.28 121.54 136.57 148.96 156.04 198.19 227.98 251.65 255.60 296.90 325.37 329.62 341.85 350.83 366.97 374.83 389.25 392.58 408.20 419.16 443.78 461.80 493.70 502.57 546.64 573.16 601.62 611.50 633.74 647.33 653.47 670.07 680.87 716.07 747.76 772.62 773.14 783.85 801.10 814.27 826.74 854.14 873.96 902.29 934.30 938.28 1010.90 1029.68 1058.93 1073.09 1111.38 1123.73 1142.08 1154.65 1182.47 1195.79 1213.82 1232.45 1260.37 1262.55 1277.90 1286.50 1307.38 1335.78 1345.14 1365.83 1370.64 1392.91 1413.93 1438.15 1450.12 1452.82 1458.33 1473.70 1499.03 1507.16 1508.13 1509.16 1525.34 1530.52 1564.13 1582.61 1588.01 1595.45 1611.01 1613.32 1635.12 1646.59 1647.30 1665.75 1714.88 1732.98 1746.51 1756.55 1766.53 1781.52 1786.15 1813.91 1841.52 1849.87 1859.36 1866.45 1874.89 1880.08 1885.27 1894.41 1914.58 1927.93 1933.10 1946.44 1984.42 1995.02 2008.85 2014.95 2029.34 2060.88 2066.34 2075.15 2080.89 2103.62 2116.39 2131.21 2146.14 2155.48 2172.34 2176.82 2186.00 2200.33 2220.90 2229.56 2234.78 2245.84 2247.57 2253.45 2269.33 2270.41 2273.55 2301.41 2319.65 2341.04 2345.47 2353.06 2353.20 2355.25 2364.09 2366.92 2367.29 2372.28 2374.38 2381.29 2382.56 2392.49 2484.00 2510.29 2516.47 2541.36 2576.71 2607.76 2654.63 2753.55 2789.20 2873.72 4561.45 4597.01 4600.67 4602.63 4603.82 4615.31 4615.85 4631.74 4642.63 4666.01 4682.85 4686.44 4688.66 4697.54 4697.77 4701.76 4702.36 4712.17 4714.64 4728.33 4753.86 4762.96 4779.20 4779.68 4828.31 4866.65 4877.81 4885.54 4894.23 4902.69 4906.43 4919.91 5535.25 5568.12 5573.45 0.648223 0.680235 0.681179 0.579449 -1560.174324 -1560.142312 -1560.141368 -1560.243098 3.412041D-04 MUNgauss RevisionA2.0 retrievium 11-Jan-2020 DUDE CC(C)C[C@@H](C(=O)NCC(C)C)NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@@H]4N1C(=O)c5c4cccc5 C63383571 RHF 6-31G(d) (6D,10F) C1 487.270916 |X|Y|Z| 128.086462 68.020106 36.494502 68.253143 20 6 7 18 2 |36.858105| |12.431862|36.858105| |7.562088|12.433465|36.858105| |7.603163|12.400304|7.466255|36.858105| |4.862003|7.306314|5.979839|12.368445|36.858105| |4.443486|6.699203|6.654350|8.765073|17.641571|0.500000| |3.808350|4.857532|4.203662|7.601134|12.430412|0.245102|36.858105| |3.400767|4.103191|3.472367|5.892587|8.018853|0.166572|15.818479|73.516695| |3.424043|4.185942|3.930941|6.008756|7.825910|0.203585|14.199860|15.032867|53.358707| |2.802334|3.218218|3.049659|4.255240|4.978209|0.131210|7.709043|11.903768|17.811791|36.858105| 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|3.012084|3.658417|3.172157|3.909249|4.798818|0.119691|4.220061|8.104348|4.502226|2.819455|2.393198|2.436086|2.091319|10.237259|8.750280|10.453039|17.640980|0.500000| |2.602135|3.168199|3.015318|3.189345|3.892638|0.108838|3.370005|6.001189|3.890325|2.460355|2.097960|2.064311|1.864350|7.110733|7.525201|12.018226|12.215784|0.242734|36.858105| |2.368056|2.769605|2.637314|2.703642|3.099101|0.085823|2.724346|4.896613|3.214226|2.078588|1.819745|1.811260|1.638220|5.370123|5.135860|8.586187|7.773391|0.178275|12.820230|36.858105| |2.077368|2.360359|2.236843|2.331496|2.622383|0.071802|2.389396|4.377559|2.853067|1.888185|1.668642|1.667026|1.523361|4.405986|3.895106|6.449104|5.468311|0.144326|7.347324|14.079232|36.858105| |1.876671|2.112298|1.999223|2.138372|2.418702|0.065867|2.283974|4.259576|2.748630|1.854924|1.635401|1.627651|1.511397|3.988950|3.366528|5.515066|4.476504|0.128032|5.713194|7.432066|13.210224|36.858105| 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|2.381198|2.753636|2.742238|2.539818|2.788403|0.079687|2.386368|4.143578|2.897840|1.866312|1.667377|1.657249|1.499914|4.528330|4.275287|8.100240|5.154269|0.115951|6.413434|8.975296|6.397361|4.381888|3.633872|3.681346|4.495150|6.508395|12.505300|0.205981|17.517136|0.500000| |3.099910|3.649459|3.396082|3.261033|3.496212|0.095836|2.854247|4.976001|3.335480|2.098731|1.877914|1.908979|1.656780|6.043326|5.839732|10.069471|7.524859|0.157690|6.627025|7.628509|5.417090|3.924448|3.282571|3.296270|3.930329|5.400702|10.039150|0.176939|12.213145|0.242872|36.858105| |3.319781|4.034697|3.926855|3.480032|3.736595|0.106017|2.957986|5.008788|3.495451|2.169235|1.938848|1.953513|1.699211|6.254852|6.270764|12.220184|6.772933|0.139041|6.176950|6.253120|4.486815|3.419262|2.880476|2.859138|3.321586|4.356970|7.668546|0.141869|8.864923|0.232940|17.588053|0.500000| |3.345609|4.031659|3.518549|3.795983|4.197487|0.109488|3.404919|6.089963|3.815014|2.375355|2.095504|2.150609|1.831262|8.052445|7.834886|11.141160|13.147537|0.259177|7.732123|7.446217|5.427944|4.161889|3.401584|3.272144|3.704037|4.898259|7.726639|0.133963|7.796686|0.161671|13.157479|0.253413|53.358707| |3.534291|4.018603|3.323223|3.784645|3.906332|0.097881|3.256300|5.971284|3.638884|2.295603|2.065909|2.174310|1.806784|7.147920|5.774419|8.299571|7.647978|0.204705|5.123444|5.163293|4.383175|3.599675|3.108790|3.063615|3.439722|4.235937|6.488099|0.120209|5.477698|0.120294|8.041226|0.171405|18.878492|36.858105| |3.541983|3.945523|3.159586|3.953439|4.050097|0.097426|3.509797|6.703794|3.841289|2.442708|2.200346|2.357256|1.919983|7.416059|5.325182|7.397132|6.615507|0.208600|4.471128|4.294788|3.839487|3.370188|2.954534|2.855522|3.081653|3.619286|5.210078|0.097381|4.222402|0.096844|5.428734|0.127130|11.370715|15.977439|73.516695| |3.365790|3.624650|3.107322|3.227103|3.187576|0.082581|2.681610|4.815723|3.113248|1.990454|1.828506|1.923072|1.614861|5.335141|4.327326|6.896931|5.174268|0.132944|4.098367|4.473452|3.938698|3.191421|2.866535|2.969446|3.472365|4.192630|6.916256|0.138903|5.406077|0.121604|8.074238|0.171062|11.410727|12.825756|13.965966|36.858105| |3.133161|3.460095|3.146115|3.014981|3.043859|0.081845|2.533648|4.455137|2.993122|1.909137|1.746202|1.804453|1.547612|5.016949|4.339273|7.387257|5.140251|0.122707|4.433728|5.104806|4.290194|3.305028|2.935514|3.079825|3.733760|4.732707|8.802802|0.182106|7.294068|0.163679|12.599049|0.244857|11.259344|8.142647|9.679909|13.783582|36.858105| |2.828693|3.006968|2.830360|2.593315|2.568518|0.070117|2.176999|3.803767|2.634018|1.701181|1.577051|1.626705|1.409785|4.032026|3.386885|6.003128|3.785440|0.093104|3.489991|4.027666|3.575712|2.843253|2.613730|2.820095|3.450600|4.129043|7.650807|0.180311|5.649673|0.142739|7.256833|0.177134|7.072678|5.212430|7.111360|7.929617|13.782462|36.858105| |2.730885|2.773727|2.570769|2.405337|2.323642|0.062672|2.005100|3.530214|2.440878|1.593362|1.496790|1.560382|1.344066|3.572087|2.872498|5.008047|3.151065|0.080735|2.866343|3.223435|2.991184|2.486117|2.347190|2.554485|3.058867|3.440058|5.856314|0.137511|4.109282|0.104570|4.965210|0.124349|5.623899|4.529633|6.595986|6.959961|8.025372|13.710683|36.858105| |2.877151|2.853030|2.546259|2.507379|2.384623|0.062964|2.075691|3.701756|2.504170|1.639565|1.547480|1.635057|1.387357|3.680338|2.867426|4.842766|3.157947|0.083462|2.768780|3.044518|2.864613|2.437621|2.312722|2.491821|2.911206|3.215288|5.184879|0.115705|3.657119|0.090535|4.482699|0.110114|5.638405|5.013933|7.573953|8.038379|6.907709|7.859429|13.690529|36.858105| |3.200445|3.232282|2.770749|2.883173|2.750836|0.071075|2.378284|4.293454|2.807787|1.824001|1.707125|1.816601|1.518754|4.381629|3.377578|5.486302|3.818415|0.102599|3.170651|3.430077|3.186539|2.704671|2.521218|2.658326|3.064824|3.464624|5.480048|0.115616|3.996373|0.095060|5.171640|0.121665|7.156931|7.365097|10.875201|13.784343|7.885992|6.762418|7.899450|13.746383|36.858105| |17.551699|8.773831|6.932356|5.504688|4.009735|0.105980|3.195605|5.150131|3.970592|2.439637|2.391659|2.589919|2.009266|5.072935|3.488797|6.210933|2.993224|0.077724|2.500500|2.325156|2.042842|1.829381|1.662672|1.644596|1.776535|2.003664|3.026656|0.060911|2.505078|0.067101|3.135584|0.094163|4.423170|3.427758|5.913412|3.435084|3.262820|3.031509|2.957987|3.079207|3.323491|0.500000| |17.548319|8.747067|5.484628|6.939732|4.589611|0.111430|3.753337|6.210585|4.481298|2.748965|2.707148|3.071836|2.238518|5.804709|3.688233|6.130162|3.190191|0.086152|2.570196|2.360297|2.094820|1.902524|1.728095|1.693109|1.807615|2.028699|3.003627|0.059704|2.464912|0.064434|3.068307|0.088392|4.630531|3.768879|6.968011|3.556726|3.169374|2.832780|2.789859|3.039903|3.467519|0.301566|0.500000| |17.530431|8.763015|6.821247|6.874652|4.468557|0.115771|3.698272|5.800605|4.738088|2.886009|2.922981|3.251209|2.381296|5.136867|3.320633|5.828180|2.777682|0.073945|2.334790|2.121612|1.880916|1.721100|1.564288|1.526115|1.620064|1.811343|2.671265|0.053124|2.204353|0.059120|2.660274|0.078992|3.879112|2.968738|5.349125|2.825885|2.663009|2.444641|2.373728|2.484295|2.716056|0.301943|0.301496|0.500000| |8.937036|17.517386|8.909800|8.894173|6.831549|0.171922|4.525151|7.113998|5.119212|2.950882|2.700453|2.851607|2.225053|9.404897|6.380362|10.834257|4.822380|0.119227|3.654865|3.204842|2.678419|2.347048|2.062101|1.999084|2.164981|2.534498|3.851547|0.074787|3.390899|0.088621|4.563289|0.140970|6.993600|5.117059|8.568230|4.538858|4.301400|3.587080|3.234643|3.327392|3.872632|0.213472|0.213699|0.173700|0.500000| |6.791382|8.770885|17.518048|6.808775|5.372875|0.166582|4.098830|5.943924|5.543491|3.187519|3.058151|3.070994|2.471858|5.711021|3.907515|7.600043|3.028903|0.077280|2.639935|2.321255|2.004792|1.821064|1.628172|1.571243|1.668389|1.895320|2.807828|0.055177|2.398840|0.066351|2.850570|0.089389|4.032893|2.837089|4.901694|2.660794|2.670398|2.443547|2.259213|2.250970|2.426524|0.168623|0.138976|0.200383|0.173495|0.500000| |5.481540|8.718615|17.581372|6.683610|6.525694|0.230418|4.435017|6.405139|5.638557|3.160710|2.848010|2.796226|2.337629|7.368878|5.513785|12.083173|3.921210|0.095051|3.401873|2.892312|2.408096|2.142516|1.876866|1.799391|1.925714|2.241394|3.362441|0.065089|2.997153|0.083662|3.638675|0.120137|5.101219|3.372934|5.622114|3.095420|3.211601|2.853717|2.529407|2.468626|2.691230|0.141866|0.122348|0.138850|0.213685|0.300340|0.500000| |6.998682|8.796220|17.549308|5.457812|4.561695|0.137404|3.415611|5.222636|4.371936|2.598347|2.457575|2.498255|2.057873|5.553224|4.112462|8.266024|3.274238|0.080924|2.846035|2.566305|2.185179|1.935646|1.729060|1.692267|1.830647|2.103996|3.204926|0.063655|2.770805|0.077228|3.422811|0.111528|4.613675|3.221177|5.323564|3.149309|3.261484|3.020534|2.748823|2.676376|2.841682|0.211506|0.142173|0.171691|0.212138|0.302262|0.302957|0.500000| |6.847719|8.862591|6.926575|17.518787|8.871640|0.208905|7.129518|9.536607|9.042718|4.690183|4.476812|4.864820|3.292554|7.635934|4.354251|7.404679|3.340167|0.090267|2.761397|2.370303|2.075026|1.927013|1.717832|1.631636|1.703754|1.923685|2.777137|0.053797|2.345049|0.062626|2.773903|0.082329|4.259977|3.113407|5.767203|2.737405|2.591425|2.287505|2.145022|2.224314|2.501981|0.140270|0.167986|0.202976|0.174395|0.207281|0.168249|0.141624|0.500000| |7.201504|8.830168|5.475908|17.534515|8.928643|0.174040|7.055098|11.152478|7.291005|4.075373|3.781080|4.358132|2.931711|9.647421|4.988402|7.664994|3.961347|0.110849|3.062290|2.641479|2.316400|2.141781|1.904313|1.809586|1.894027|2.147138|3.095703|0.059686|2.602214|0.067453|3.164495|0.090676|5.150514|3.983183|7.802079|3.340482|3.001968|2.568178|2.424814|2.591818|3.039974|0.144555|0.217512|0.177957|0.210116|0.141055|0.137129|0.123123|0.303837|0.500000| |3.559267|4.422887|4.424309|6.086605|7.535200|0.226633|9.457078|10.864884|26.054602|9.028905|6.633714|5.361788|4.524934|6.743461|4.066031|7.142238|3.136001|0.085675|2.782320|2.310027|2.035758|1.942076|1.717850|1.595081|1.633013|1.835859|2.585550|0.049407|2.188749|0.059409|2.439307|0.072256|3.713162|2.575244|4.731428|2.242164|2.187107|1.941383|1.792964|1.822293|2.022014|0.084684|0.091948|0.102123|0.107317|0.132050|0.131381|0.098409|0.198675|0.140222|0.500000| |2.657943|3.027231|2.796700|3.975131|4.708000|0.119245|7.528236|14.029987|12.643730|17.639999|8.809210|6.897653|6.800797|5.423849|3.258472|5.299671|2.814258|0.082730|2.522577|2.130919|1.953499|1.941308|1.738509|1.588078|1.585684|1.745161|2.381801|0.045308|1.954215|0.051991|2.111492|0.059779|3.300312|2.360721|4.537893|2.022769|1.921423|1.702047|1.597340|1.654179|1.853847|0.064536|0.073958|0.074767|0.079011|0.079306|0.080392|0.067055|0.115907|0.110429|0.180230|0.500000| |2.515383|2.892470|2.838719|3.641196|4.318621|0.120681|5.997991|9.358891|12.539491|17.552921|8.834359|5.485702|7.154674|4.819002|3.052080|5.233366|2.584225|0.073305|2.396103|2.023492|1.842052|1.818826|1.628460|1.493429|1.497286|1.650788|2.267389|0.043267|1.872048|0.050728|2.004809|0.057822|3.044307|2.130978|3.973954|1.864208|1.811573|1.624416|1.515214|1.545440|1.704681|0.061972|0.067826|0.071767|0.074465|0.082523|0.083248|0.067984|0.109908|0.095054|0.218911|0.302723|0.500000| |2.835402|3.088347|3.021216|3.887951|3.942537|0.107485|4.916290|7.517686|9.605662|8.919863|17.479310|8.904891|8.920467|4.225931|2.652914|4.595785|2.247875|0.063082|2.036703|1.772394|1.616873|1.572344|1.427665|1.336833|1.355940|1.486392|2.071802|0.040124|1.694113|0.045935|1.853800|0.053717|2.777335|2.000650|3.737033|1.791529|1.726152|1.569583|1.488344|1.529320|1.673991|0.068746|0.075905|0.085456|0.075782|0.092902|0.083599|0.072225|0.130339|0.102108|0.198028|0.174160|0.211862|0.500000| |2.822398|2.966658|2.637322|3.850776|3.817916|0.093490|5.096565|9.608953|7.503423|6.785650|8.780117|17.540324|6.827813|4.440655|2.673132|4.354037|2.371371|0.069674|2.081042|1.830379|1.698665|1.673188|1.529976|1.428257|1.436772|1.561500|2.150250|0.041550|1.730091|0.045791|1.902042|0.053445|2.947792|2.208097|4.321181|1.936059|1.800419|1.615996|1.553935|1.638702|1.832463|0.067551|0.081221|0.082075|0.075665|0.076244|0.071664|0.064250|0.117465|0.115715|0.127163|0.204167|0.140378|0.173446|0.500000| |2.843316|2.889555|2.646681|3.607033|3.374002|0.085986|4.102235|7.034131|6.420476|5.470448|8.798344|17.554069|6.905405|3.836030|2.376792|3.991554|2.091083|0.059968|1.857622|1.652767|1.530277|1.494008|1.373644|1.296027|1.312803|1.423882|1.979106|0.038571|1.589942|0.042529|1.752137|0.049807|2.652090|1.981499|3.796219|1.781462|1.674803|1.526151|1.475327|1.546532|1.702593|0.068375|0.080097|0.086311|0.071739|0.079276|0.070543|0.064872|0.116903|0.104326|0.120610|0.140515|0.123115|0.213552|0.301388|0.500000| |3.659594|3.853739|3.368569|5.342330|4.821099|0.116258|6.161301|10.035675|9.368581|6.797863|8.741348|17.567618|5.476560|5.131311|3.017589|4.975468|2.566655|0.073582|2.212364|1.933694|1.762588|1.701792|1.544930|1.453513|1.481739|1.628426|2.278688|0.044157|1.857792|0.049369|2.087656|0.059593|3.221689|2.407127|4.650349|2.119149|1.977169|1.772148|1.698144|1.785294|1.996299|0.084322|0.103243|0.110222|0.093356|0.100121|0.089159|0.079693|0.181316|0.157377|0.166844|0.170794|0.138828|0.212313|0.301816|0.302171|0.500000| |2.110624|2.285270|2.242265|2.740201|2.930863|0.080467|3.658161|6.184369|6.366158|6.940350|8.743084|5.477758|17.542638|3.424689|2.225259|3.837358|1.967366|0.056030|1.839979|1.614097|1.500794|1.492367|1.366182|1.267914|1.267163|1.372088|1.880492|0.036327|1.517543|0.041205|1.614554|0.046182|2.409390|1.727163|3.230601|1.549349|1.498896|1.369586|1.300085|1.332513|1.451364|0.052744|0.057583|0.061587|0.058706|0.066302|0.063501|0.055402|0.084117|0.074155|0.122117|0.167280|0.215767|0.213372|0.139367|0.141037|0.122327|0.500000| |2.170978|2.275566|2.190655|2.723698|2.761193|0.073946|3.372443|5.800412|5.579332|5.511885|8.783403|6.909902|17.564044|3.230733|2.079163|3.557315|1.852522|0.052950|1.706535|1.516991|1.416007|1.401969|1.292789|1.210439|1.214049|1.308813|1.800750|0.035000|1.442342|0.038976|1.549355|0.044125|2.313373|1.689461|3.185947|1.526354|1.461723|1.341236|1.287020|1.330409|1.448409|0.053981|0.059931|0.064360|0.057943|0.065245|0.060477|0.054445|0.084897|0.075539|0.107012|0.139512|0.144122|0.213151|0.169790|0.207783|0.140950|0.301896|0.500000| |2.149775|2.301213|2.177534|2.807412|2.975317|0.078323|3.843275|6.966004|6.229120|6.880353|8.769768|6.812691|17.529887|3.552034|2.261520|3.797377|2.032490|0.059064|1.870948|1.647235|1.543032|1.544080|1.418054|1.313474|1.307246|1.410094|1.922098|0.037087|1.540802|0.041358|1.645088|0.046463|2.492896|1.815572|3.460430|1.613712|1.537723|1.396537|1.333634|1.382353|1.519376|0.053312|0.060024|0.062197|0.059669|0.063309|0.061006|0.053895|0.084600|0.078965|0.111347|0.201076|0.176187|0.173527|0.201729|0.169015|0.139272|0.301300|0.301902|0.500000| |3.966308|5.134471|4.055459|6.548173|9.149439|0.182166|7.610050|14.942930|6.774447|3.898074|3.217664|3.359291|2.655507|25.980873|9.424066|10.814085|7.504667|0.238070|4.918562|3.839176|3.258543|3.014617|2.554109|2.335886|2.417259|2.830557|3.973645|0.073232|3.466055|0.086307|4.146109|0.113307|7.829480|5.519935|11.228985|3.950820|3.558354|2.852968|2.573854|2.710964|3.291051|0.095355|0.114448|0.097328|0.159500|0.099451|0.118836|0.096663|0.138830|0.193545|0.122886|0.114283|0.095614|0.083647|0.095571|0.079584|0.106145|0.069493|0.066308|0.074350|0.500000| |2.637985|3.265260|3.241826|3.227777|3.967826|0.116683|3.354111|5.751897|3.962175|2.478231|2.111427|2.050527|1.870122|6.877776|7.576223|14.658042|8.808999|0.176160|17.589909|9.005107|5.702631|4.577550|3.486718|3.128016|3.356111|4.397253|6.320405|0.107126|6.838693|0.188393|6.248402|0.183725|8.705628|4.401882|6.809489|3.722432|4.179712|3.405294|2.771763|2.624046|2.930982|0.070858|0.070837|0.066080|0.103550|0.078418|0.104880|0.085196|0.078376|0.083570|0.080479|0.069283|0.067812|0.057645|0.056685|0.051370|0.061110|0.051656|0.047563|0.051603|0.124631|0.500000| |2.382020|2.863002|2.725765|2.983187|3.701039|0.102910|3.384780|6.167306|3.932903|2.535306|2.134145|2.080061|1.915820|6.573205|6.240709|9.812462|8.719059|0.223978|17.626033|8.886339|6.770710|6.222685|4.332393|3.569299|3.600743|4.579436|5.855878|0.098027|5.462324|0.136329|4.860009|0.127238|7.785969|4.290284|7.111715|3.455194|3.600066|2.939741|2.496434|2.446546|2.786610|0.063000|0.065732|0.060300|0.089070|0.067782|0.084888|0.070768|0.072955|0.080276|0.077018|0.073231|0.069186|0.057001|0.058753|0.051789|0.061161|0.052749|0.048398|0.053846|0.131154|0.301209|0.500000| |1.879572|2.134157|2.023199|2.200814|2.540247|0.069268|2.439959|4.583897|2.934669|1.989368|1.732718|1.710456|1.604832|4.190714|3.507835|5.698709|4.580771|0.134513|5.982225|6.564389|8.713570|17.746139|9.021580|5.588287|4.814727|5.493717|5.832951|0.098072|4.417245|0.109336|3.615050|0.090077|5.395074|3.409386|5.821986|2.943396|3.008944|2.582148|2.271848|2.244068|2.503576|0.050426|0.052814|0.048152|0.065270|0.051462|0.060631|0.053810|0.055257|0.061074|0.057222|0.058224|0.054453|0.046042|0.048999|0.043367|0.049434|0.044155|0.041087|0.045712|0.088350|0.132505|0.205241|0.500000| |1.582257|1.736516|1.646542|1.768433|1.956091|0.053064|1.898747|3.571364|2.330460|1.612838|1.444360|1.441745|1.358990|3.101657|2.490720|4.126092|3.060265|0.089592|3.522039|4.105513|5.629291|9.042878|17.758142|8.771352|5.583383|4.924720|5.016977|0.089914|3.348793|0.084556|2.799585|0.069616|3.993451|2.730411|4.722554|2.512031|2.537250|2.284742|2.085563|2.072710|2.251487|0.042930|0.044835|0.040828|0.052560|0.042364|0.048294|0.044464|0.045059|0.049688|0.045631|0.047128|0.044082|0.038463|0.041439|0.037115|0.041386|0.037304|0.035254|0.038835|0.065846|0.084840|0.106087|0.215338|0.500000| |1.531775|1.650907|1.567629|1.637987|1.759597|0.047783|1.673960|3.105854|2.063652|1.419385|1.293485|1.304406|1.212953|2.761522|2.222479|3.740883|2.696722|0.076450|2.982594|3.690513|4.965379|5.659369|8.803593|17.722263|9.092677|5.704818|5.714891|0.108558|3.394713|0.085778|2.811274|0.068891|3.801260|2.676947|4.506979|2.629520|2.696142|2.525143|2.342573|2.299918|2.420653|0.042228|0.043490|0.039343|0.050278|0.040191|0.045442|0.043082|0.041744|0.046097|0.040828|0.040998|0.038583|0.034751|0.037234|0.033900|0.037693|0.033172|0.031779|0.034411|0.058039|0.073903|0.083191|0.124048|0.215723|0.500000| |1.710440|1.839321|1.750188|1.772062|1.874968|0.051121|1.730687|3.159521|2.123510|1.435584|1.314146|1.331961|1.217259|2.959853|2.435518|4.158001|2.975959|0.080804|3.239882|4.302504|5.497893|4.815550|5.518962|8.945234|17.754434|8.757291|9.233839|0.192834|4.537174|0.112686|3.606127|0.085761|4.520374|3.172895|5.054214|3.344427|3.613413|3.502503|3.182634|2.995239|3.052461|0.047900|0.048379|0.043386|0.056974|0.044276|0.050574|0.048879|0.044764|0.049590|0.042439|0.040992|0.038822|0.035613|0.037661|0.034671|0.038939|0.033203|0.031988|0.034215|0.061197|0.081459|0.084438|0.105215|0.123140|0.216882|0.500000| |2.615283|2.802707|2.735160|2.420268|2.422144|0.067376|2.060052|3.568940|2.524377|1.634607|1.514642|1.547239|1.359407|3.742190|3.182318|5.837587|3.487223|0.084874|3.377500|3.921843|3.470940|2.757205|2.538280|2.745432|3.368958|4.025055|7.561878|0.183602|5.638422|0.155883|6.487452|0.173171|6.134355|4.240509|5.993532|5.622903|8.840164|17.694512|8.887010|5.609301|4.893200|0.078109|0.071412|0.063711|0.091036|0.065960|0.077628|0.081923|0.060030|0.065578|0.052072|0.045203|0.043708|0.042079|0.042518|0.040406|0.046599|0.036894|0.035940|0.037297|0.072626|0.094286|0.079175|0.069624|0.061712|0.068452|0.095656|0.500000| |2.477189|2.483360|2.349709|2.161541|2.083097|0.056657|1.816862|3.188712|2.240342|1.473569|1.393306|1.448437|1.258615|3.139998|2.506483|4.433420|2.701352|0.069631|2.517937|2.816391|2.652940|2.244030|2.147284|2.351967|2.794075|3.055839|5.083655|0.120915|3.521256|0.092879|4.018623|0.104558|4.604317|3.608660|5.459188|4.997787|5.685996|8.929887|17.725602|8.925074|5.638936|0.075111|0.069719|0.060791|0.078524|0.058125|0.064088|0.070379|0.054348|0.060237|0.045902|0.040913|0.039098|0.038622|0.039975|0.038270|0.043576|0.033901|0.033610|0.034636|0.062695|0.068479|0.061772|0.057141|0.053468|0.060771|0.082197|0.215235|0.500000| |2.675282|2.584474|2.316354|2.294967|2.161490|0.057034|1.911398|3.418487|2.327928|1.539234|1.467088|1.557432|1.322757|3.271504|2.500720|4.235514|2.709569|0.072775|2.404325|2.613220|2.502451|2.183069|2.102376|2.268740|2.604142|2.790265|4.352961|0.096844|3.044160|0.076799|3.579090|0.090257|4.619521|4.048907|6.484957|5.686176|4.971614|5.621500|8.919307|17.735548|8.919506|0.079726|0.079134|0.065151|0.081571|0.057789|0.061859|0.067637|0.057354|0.066323|0.047033|0.043149|0.040299|0.040288|0.043407|0.041213|0.047063|0.035238|0.035420|0.036640|0.067348|0.063565|0.060085|0.056164|0.053001|0.059130|0.075205|0.123893|0.216285|0.500000| 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