Version2.0 2020-01-15T07:43:34Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 19-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCCCOc1ccc(cc1)NC(=O)C[C@@H]2C(=O)N(C(=S)N2NC(=O)c3ccc(cc3)Cl)CC C33778529 RHF 6-31G(d) (6D,7F) CCCCCCOc1ccc(cc1)NC(=O)C[C@@H]2C(=O)N(C(=S)N2NC(=O)c3ccc(cc3)Cl)CC C01[X(C26H31Cl1N4O4S1)] 195 C1 610 CCCCCCOc1ccc(cc1)NC(=O)C[C@H]1N(NC(=O)c2ccc(cc2)Cl)C(=S)N(C1=O)CC CCCCCCOc1ccc(cc1)NC(=O)C[C@H]1N(NC(=O)c2ccc(cc2)Cl)C(=S)N(C1=O)CC CCCCCCOc1ccc(NC(=O)C[C@H]2N(NC(=O)c3ccc(Cl)cc3)C(=S)N(CC)C2=O)cc1 InChIKey=LWDIVUMQQXGKEV-JOCHJYFZSA-N InChI=1S/C26H31ClN4O4S/c1-3-5-6-7-16-35-21-14-12-20(13-15-21)28-23(32)17-22-25(34)30(4-2)26(36)31(22)29-24(33)18-8-10-19(27)11-9-18/h8-15,22H,3-7,16-17H2,1-2H3,(H,28,32)(H,29,33)/t22-/m1/s1 InChI=1/C26H31ClN4O4S/c1-3-5-6-7-16-35-21-14-12-20(13-15-21)28-23(32)17-22-25(34)30(4-2)26(36)31(22)29-24(33)18-8-10-19(27)11-9-18/h8-15,22H,3-7,16-17H2,1-2H3,(H,28,32)(H,29,33)/t22-/m1/s1/f/h28-29H CCCCCCOc1ccc(cc1)NC(=O)C[C@@H]2C(=O)N(C(=S)N2NC(=O)c3ccc(cc3)Cl)CC C01[X(C26H31Cl1N4O4S1)] 195 C01 610 CCCCCCOc1ccc(cc1)NC(=O)C[C@H]1N(NC(=O)c2ccc(cc2)Cl)C(=S)N(C1=O)CC CCCCCCOc1ccc(cc1)NC(=O)C[C@H]1N(NC(=O)c2ccc(cc2)Cl)C(=S)N(C1=O)CC CCCCCCOc1ccc(NC(=O)C[C@H]2N(NC(=O)c3ccc(Cl)cc3)C(=S)N(CC)C2=O)cc1 InChIKey=LWDIVUMQQXGKEV-JOCHJYFZSA-N InChI=1S/C26H31ClN4O4S/c1-3-5-6-7-16-35-21-14-12-20(13-15-21)28-23(32)17-22-25(34)30(4-2)26(36)31(22)29-24(33)18-8-10-19(27)11-9-18/h8-15,22H,3-7,16-17H2,1-2H3,(H,28,32)(H,29,33)/t22-/m1/s1 InChI=1/C26H31ClN4O4S/c1-3-5-6-7-16-35-21-14-12-20(13-15-21)28-23(32)17-22-25(34)30(4-2)26(36)31(22)29-24(33)18-8-10-19(27)11-9-18/h8-15,22H,3-7,16-17H2,1-2H3,(H,28,32)(H,29,33)/t22-/m1/s1/f/h28-29H 3957.2776984863 -2376.918786 1-A 38247.7353 140 470 610 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 3.2422 7.4177 16.4227 18.9288 23.8309 30.6886 35.1993 43.6488 47.7003 53.0631 64.8245 71.8451 75.0230 79.9006 88.2079 103.4458 116.3865 121.5351 130.7231 136.4004 154.6239 166.5230 170.3562 172.6979 184.9237 224.9048 231.6674 235.2775 243.3053 263.7810 273.0664 286.9091 301.5715 315.6661 333.1450 357.0945 363.5090 388.4315 409.8746 426.0570 429.7684 449.6173 459.2682 464.4716 466.0241 478.3430 499.3877 538.5082 541.4017 551.0335 552.4546 558.1088 587.0889 597.1180 604.7769 648.2902 684.8548 691.0221 693.7420 699.1485 718.5007 741.6848 770.8489 784.5586 787.2566 810.6163 811.9068 825.1774 837.5746 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3207.5411 3215.2175 3217.0067 3227.8904 3232.0600 3242.0458 3260.0883 3262.7663 3264.5224 3272.2493 3277.8842 3288.5413 3297.2284 3302.4728 3349.0631 3356.2633 3392.5976 3393.8620 3399.3822 3410.1306 3410.4818 3415.6930 3432.1792 3862.1220 3885.7839 7.6402 5.4148 3.0023 5.6971 7.5044 4.7680 4.7095 4.9279 1.9402 5.0960 5.1978 5.4505 3.4514 5.1346 6.6959 4.9809 10.3332 1.8397 5.8158 6.2622 2.6888 5.3063 1.9681 6.2549 4.3706 2.4949 4.5639 2.0385 4.7304 1.1242 5.7318 4.5809 6.0297 5.1404 5.8454 3.1221 4.1914 5.5549 4.7515 4.7188 7.4932 4.6741 2.9856 3.1906 3.2289 4.2769 3.9070 2.3920 1.8116 3.8237 4.4020 2.1316 2.5266 2.4498 3.3417 5.0109 5.7444 5.9848 5.3271 4.7133 5.2323 7.8103 4.1128 1.0675 3.6286 6.3901 1.1015 4.1880 2.3035 3.2490 2.6293 1.1638 3.5822 1.4739 2.8703 1.2725 2.1889 1.8625 2.6165 1.9901 1.1918 4.3819 2.5784 2.5745 1.7113 4.0068 3.8109 1.3947 1.1314 1.4059 2.6316 2.7431 1.5494 2.8095 2.7260 2.3453 2.2539 3.1594 4.2349 4.2352 2.4568 3.1850 1.8898 2.4477 2.1154 2.7425 2.1170 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3.6456 467.6953 2.4350 15.3385 4.4667 71.6289 253.5668 31.2813 1.1787 0.0043 1.6291 34.4972 0.7914 5.1819 13.3633 1.0729 3.2307 62.3819 92.7150 122.5753 197.0417 492.5071 12.3606 100.9962 102.9053 12.3952 230.5266 308.7778 448.5338 1.8326 4.0838 52.7540 65.8331 1.1608 32.8404 0.5077 45.9615 25.6601 42.2554 7.0439 5.9967 23.0857 61.6872 185.9667 0.9309 12.0512 30.3593 11.6106 25.3515 6.2524 19.1646 3.0732 5.7156 0.9099 15.2710 2.6311 1.5534 1.9354 133.6231 43.8781 0.5493 1.1554 3.0383 3.3031 1.7741 1.7183 2.9001 4.5096 1.9094 0.8332 1.0600 0.5134 0.7674 1.4725 0.6000 0.3249 0.4677 0.2731 1.1474 0.4333 0.4874 0.1730 0.0635 0.5887 1.8263 1.4575 1.2231 1.0281 0.7379 0.0120 0.7732 1.1455 1.8889 3.2341 1.6807 0.4239 0.5044 0.7850 4.9849 2.8911 1.2077 3.1709 0.1318 0.5000 1.2141 0.4758 1.2478 3.3509 3.1872 7.8199 1.6033 5.4669 0.2840 4.7621 1.8462 5.1352 13.4858 6.8718 4.8491 2.1552 4.3952 1.7908 0.3437 0.0098 2.1175 11.2683 0.0597 1.1480 1.2031 1.4853 0.5306 0.2185 6.8227 4.6758 16.5913 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668.27 670.50 688.23 718.51 774.79 778.96 792.81 794.86 802.99 844.69 859.12 870.14 932.75 985.35 994.23 998.14 1005.92 1033.76 1067.12 1109.08 1128.80 1132.69 1166.30 1168.15 1187.25 1205.08 1228.49 1237.77 1267.36 1301.86 1323.74 1338.88 1364.95 1367.48 1380.92 1385.07 1391.56 1418.82 1465.80 1477.18 1507.61 1524.66 1554.04 1560.44 1577.10 1580.27 1584.16 1599.00 1601.25 1604.38 1616.20 1617.30 1635.95 1663.60 1684.33 1700.66 1711.47 1722.13 1726.45 1735.99 1743.63 1759.70 1788.33 1813.91 1846.93 1856.10 1870.81 1879.23 1881.77 1881.92 1940.66 1948.08 1958.00 1984.05 1990.74 2001.45 2024.54 2049.98 2057.71 2080.24 2081.89 2089.65 2093.35 2095.65 2098.46 2104.23 2131.96 2183.01 2194.38 2204.76 2223.45 2238.34 2250.79 2254.50 2256.18 2263.69 2275.20 2290.48 2312.07 2339.83 2351.26 2353.82 2354.49 2355.43 2361.76 2365.58 2370.95 2375.08 2385.27 2401.93 2410.88 2442.64 2456.55 2471.44 2540.57 2578.25 2596.95 2630.16 2783.26 2819.83 2907.21 4572.42 4579.51 4591.03 4598.96 4600.60 4602.55 4614.94 4625.98 4628.56 4644.21 4650.21 4664.58 4690.54 4694.39 4696.92 4708.04 4716.14 4731.48 4743.98 4751.52 4818.55 4828.91 4881.19 4883.01 4890.95 4906.42 4906.92 4914.42 4938.14 5556.73 5590.78 0.586462 0.620747 0.621692 0.510386 -2376.332324 -2376.298039 -2376.297094 -2376.408400 3.733222D-04 MUNgauss RevisionA2.0 retrievium 15-Jan-2020 DUDE CCCCCCOc1ccc(cc1)NC(=O)C[C@@H]2C(=O)N(C(=S)N2NC(=O)c3ccc(cc3)Cl)CC C33778529 RHF 6-31G(d) (6D,10F) C1 530.175455 |X|Y|Z| 173.653704 85.544308 27.825504 74.491388 22 6 7 18 4 |36.858105| |12.465640|36.858105| |7.472649|12.454347|36.858105| |4.860499|7.456790|12.453103|36.858105| |3.736272|4.859868|7.472386|12.453631|36.858105| |2.969366|3.744122|4.882752|7.519959|12.547804|36.858105| |2.553096|3.047279|3.878011|5.094419|8.061874|13.549888|73.516695| |2.182612|2.555577|3.080867|3.883880|5.224119|7.979432|25.152923|36.858105| |1.953569|2.222373|2.643328|3.142751|4.082799|5.244857|14.576798|13.666923|36.858105| |1.722410|1.937224|2.238276|2.611340|3.195338|3.973788|9.410237|7.905491|13.847315|36.858105| |1.662515|1.881254|2.133730|2.515112|2.969614|3.774712|8.195523|6.830259|7.944379|13.676497|36.858105| |1.796240|2.069825|2.344190|2.849035|3.333432|4.496590|9.244158|7.944484|6.925711|7.974058|13.812231|36.858105| |2.066180|2.433407|2.827749|3.592933|4.392558|6.687212|13.988842|13.762513|7.951789|6.863195|7.896119|13.706736|36.858105| |1.482336|1.656795|1.844314|2.127917|2.433838|2.959990|6.098101|4.525054|5.130077|7.731279|13.397562|7.903034|5.151591|53.358707| |1.375972|1.520476|1.684382|1.908830|2.168510|2.554869|5.237852|3.695050|4.314249|6.200976|7.698591|5.279847|3.948034|19.215632|36.858105| |1.383728|1.521796|1.695836|1.907502|2.187419|2.542639|5.301956|3.684989|4.499502|6.409188|6.641333|4.645923|3.726345|11.506649|15.821310|73.516695| |1.251158|1.372963|1.499800|1.681124|1.869027|2.160671|4.289584|2.902454|3.233669|4.197835|5.019026|4.008843|3.134833|10.700893|12.528078|14.240272|36.858105| |1.173661|1.276366|1.391688|1.539886|1.708558|1.936213|3.846279|2.537838|2.866259|3.612602|3.959292|3.215702|2.649181|7.376759|7.439019|11.056381|12.400810|36.858105| |1.196919|1.301850|1.424104|1.575983|1.756829|1.990875|3.981672|2.631777|3.004493|3.808654|4.095460|3.285791|2.721347|7.479016|6.819249|10.149718|8.745940|17.587745|0.500000| |1.086615|1.176732|1.269944|1.396416|1.526516|1.713024|3.333576|2.155414|2.361403|2.845717|3.131445|2.699256|2.271258|5.513515|4.921088|7.570267|7.646633|12.571125|0.248553|36.858105| |1.074189|1.165029|1.250744|1.377623|1.494246|1.679773|3.230477|2.082151|2.235805|2.656287|2.983056|2.649762|2.228101|5.205316|4.316093|6.475556|6.394029|7.872502|0.188985|16.017761|73.516695| |1.028673|1.107130|1.192342|1.300049|1.417528|1.571506|3.052766|1.944910|2.135949|2.523639|2.689346|2.339703|2.017189|4.509741|4.039286|6.725443|5.540650|8.203850|0.176228|13.902073|14.813797|53.358707| |1.051378|1.129666|1.223299|1.330795|1.462306|1.615803|3.173881|2.021510|2.262489|2.688005|2.782206|2.372158|2.060140|4.592679|4.281885|7.627171|5.432352|8.139026|0.176097|8.367997|9.902797|18.895371|36.858105| |0.992764|1.059090|1.143933|1.232347|1.349042|1.469903|2.875021|1.798305|2.005531|2.314755|2.334454|2.028087|1.807052|3.670773|3.287829|6.131292|3.790397|4.835955|0.117221|4.927579|6.845460|9.619131|11.558448|388.023441| |1.136034|1.227424|1.339503|1.468485|1.631639|1.823113|3.634933|2.358496|2.697558|3.324218|3.438436|2.815138|2.397760|5.886472|5.960020|10.752303|7.541912|13.132583|0.253307|8.332885|9.821664|11.823303|14.020970|50.280643|53.358707| |1.175815|1.267772|1.394138|1.523487|1.711412|1.901472|3.853337|2.492665|2.939070|3.629806|3.533142|2.834130|2.460593|5.720956|5.697067|11.809208|5.795424|7.736401|0.196682|5.314973|7.182865|7.470905|8.053972|44.016096|19.028184|53.358707| |1.174496|1.261851|1.390966|1.512030|1.703913|1.877099|3.821800|2.446260|2.911580|3.530401|3.319347|2.681113|2.373278|5.164117|4.682257|9.231971|4.595913|6.122254|0.185928|4.548222|6.465969|6.263316|6.048867|36.470877|11.047916|18.908493|36.858105| |1.137088|1.220286|1.338632|1.453054|1.625684|1.787941|3.601718|2.293803|2.676630|3.202871|3.086812|2.542783|2.250767|4.845934|4.196091|7.649580|4.358056|6.170066|0.207092|4.891292|7.024861|6.626157|5.920725|34.522583|9.755136|11.533660|15.906358|73.516695| |1.213637|1.298353|1.441346|1.555918|1.769587|1.925046|3.967420|2.499248|3.036353|3.560673|3.157800|2.572689|2.348216|4.595067|3.963463|8.193482|3.622606|4.265283|0.127301|3.370957|5.060587|4.639304|4.240274|28.546267|7.044771|10.713969|12.751954|14.304289|36.858105| |1.237646|1.320215|1.470347|1.579422|1.802522|1.943124|4.017058|2.495995|3.035008|3.448306|2.998321|2.481493|2.310095|4.222798|3.427791|6.762614|3.115955|3.586154|0.111387|2.936667|4.565371|3.952183|3.401103|22.863751|5.425438|7.115860|7.715013|11.945573|13.706322|36.858105| |1.264001|1.339633|1.498287|1.592741|1.824374|1.932050|4.000951|2.424583|2.937330|3.177546|2.708801|2.296164|2.197794|3.676029|2.906221|5.762246|2.614375|2.882710|0.087135|2.432155|3.860305|3.289364|2.779213|19.272982|4.300999|5.403816|5.077122|8.053015|7.916232|13.791141|36.858105| |1.263612|1.334706|1.493741|1.579887|1.809369|1.901341|3.931255|2.358752|2.845872|3.029253|2.576759|2.203350|2.126720|3.465387|2.771350|5.646377|2.479158|2.673390|0.078145|2.270880|3.598286|3.115449|2.661440|18.990803|4.077897|5.162352|4.478933|6.799608|6.901408|7.990432|13.756503|36.858105| |1.236762|1.310439|1.461314|1.553724|1.772672|1.880029|3.874330|2.353914|2.835963|3.090080|2.664557|2.258430|2.149515|3.646388|3.017526|6.365587|2.701140|2.909666|0.082730|2.446636|3.814995|3.410500|3.000402|21.837997|4.626095|6.108104|5.020486|7.128981|7.916084|6.866215|7.897250|13.780526|36.858105| |1.212775|1.293109|1.436404|1.542604|1.754201|1.892149|3.893460|2.422256|2.928101|3.343229|2.943152|2.437217|2.256998|4.184210|3.619578|7.812172|3.269269|3.641867|0.102735|2.963984|4.493863|4.168154|3.831986|27.514027|6.128372|9.014517|7.527650|9.432713|13.712706|7.933996|6.860537|7.985045|13.761920|36.858105| |1.276038|1.333544|1.493387|1.554279|1.773584|1.819336|3.722176|2.164588|2.545838|2.587655|2.215591|1.953951|1.933670|2.917695|2.272693|4.538808|2.046732|2.156639|0.062501|1.882319|3.041199|2.579011|2.148070|15.475766|3.211084|3.853883|3.178554|5.062719|4.232863|4.780505|7.047853|10.947011|7.051544|4.777965|448.794386| |0.956559|1.025109|1.096193|1.188150|1.283051|1.410401|2.706813|1.700716|1.838640|2.119551|2.251652|2.014741|1.766159|3.655749|3.119945|5.242636|4.019487|5.099782|0.121801|7.679178|11.806105|17.709190|7.548426|42.326307|7.175108|5.370304|3.512187|6.663129|2.779884|2.442450|2.089273|1.992878|2.158954|2.555778|13.558333|36.858105| |0.920926|0.983256|1.049782|1.132229|1.220210|1.332202|2.552054|1.590227|1.717675|1.957585|2.052236|1.847088|1.639441|3.264689|2.703918|4.564186|3.316766|4.221774|0.110058|5.784115|9.626269|10.453130|5.658202|35.449458|5.850941|4.722233|3.319648|6.613973|2.666350|2.411332|2.065090|1.942129|2.064150|2.409864|13.283229|12.510356|36.858105| |17.536941|8.774257|6.770546|4.493751|3.623858|2.872184|4.466599|2.147141|1.939404|1.708468|1.639231|1.758525|2.015836|1.990582|1.366215|2.458195|1.240236|1.164130|0.032894|1.076271|1.885047|1.391737|1.048838|7.069430|1.541871|1.601122|1.173133|2.011296|1.217237|1.238562|1.270027|1.277977|1.253329|1.223748|10.417251|0.950566|0.913807|0.500000| |17.536789|8.774175|6.770476|4.493713|3.623807|2.872136|4.466591|2.146701|1.938566|1.707860|1.638590|1.757940|2.015724|1.990708|1.358010|2.427834|1.235580|1.165454|0.033148|1.078655|1.894967|1.390202|1.044454|7.017463|1.535875|1.592973|1.175660|2.028483|1.218238|1.250072|1.281163|1.276480|1.241375|1.213789|10.390680|0.949737|0.917635|0.301706|0.500000| |17.549606|8.773024|5.454487|4.036052|3.164773|2.627140|4.043708|1.983234|1.782828|1.591514|1.549524|1.674953|1.905070|1.896961|1.296598|2.310730|1.187312|1.114733|0.031523|1.037661|1.828768|1.338456|1.001979|6.735668|1.467672|1.512676|1.108454|1.912680|1.140617|1.160742|1.181856|1.180634|1.158277|1.139037|9.553280|0.917962|0.884484|0.301699|0.301698|0.500000| |8.861536|17.510148|8.858354|6.857879|4.532246|3.660140|5.261804|2.517474|2.179668|1.913578|1.875493|2.076951|2.434384|2.254145|1.522312|2.707975|1.376743|1.272891|0.035880|1.175663|2.070778|1.506335|1.128101|7.521468|1.666466|1.715914|1.246810|2.139022|1.278217|1.290734|1.304787|1.304708|1.290077|1.277297|10.424764|1.025785|0.980314|0.210700|0.172953|0.212793|0.500000| |8.861476|17.509923|8.858224|6.857800|4.532161|3.660054|5.261801|2.516775|2.178490|1.912733|1.874543|2.075999|2.434194|2.254332|1.511071|2.667842|1.370431|1.274611|0.036209|1.178751|2.083855|1.504405|1.122692|7.459432|1.658960|1.705971|1.249823|2.159577|1.279368|1.303679|1.316781|1.303127|1.277146|1.266067|10.398326|1.024751|0.985010|0.172953|0.210696|0.212792|0.303951|0.500000| |6.875299|8.858963|17.501871|8.859140|6.877249|4.553961|6.737609|3.011231|2.628763|2.221726|2.096460|2.275141|2.723667|2.471431|1.659440|2.970532|1.479066|1.383289|0.039546|1.261488|2.207401|1.612605|1.216510|8.095934|1.812993|1.892782|1.398578|2.400463|1.455338|1.497946|1.534087|1.522019|1.475418|1.444283|12.280747|1.089070|1.047791|0.169150|0.203937|0.140466|0.173731|0.211735|0.500000| |6.875284|8.859016|17.502203|8.859336|6.877509|4.554130|6.737604|3.012428|2.630830|2.223050|2.097790|2.276397|2.723937|2.471187|1.674368|3.026252|1.487013|1.381091|0.039119|1.257704|2.191874|1.614984|1.223402|8.175437|1.822805|1.906393|1.394357|2.372320|1.453642|1.478395|1.515204|1.524535|1.495459|1.461023|12.324332|1.090311|1.042143|0.203938|0.169148|0.140466|0.211740|0.173730|0.303877|0.500000| |4.535676|6.863466|8.862629|17.497159|8.844924|6.902576|8.381360|3.753922|3.025288|2.554225|2.501362|2.867699|3.596121|2.894304|1.912443|3.396131|1.688056|1.533765|0.043278|1.394605|2.448427|1.768525|1.328218|8.747752|1.991568|2.056890|1.486316|2.532299|1.521574|1.529612|1.535052|1.530757|1.520075|1.515939|12.038934|1.189184|1.127721|0.119659|0.111278|0.108608|0.207166|0.171159|0.173762|0.211846|0.500000| |4.535642|6.863389|8.862547|17.496702|8.844581|6.902168|8.381487|3.751650|3.022168|2.552235|2.499127|2.865215|3.595546|2.894716|1.890285|3.317903|1.676458|1.536786|0.043859|1.399778|2.470154|1.765407|1.319411|8.650523|1.978790|2.039821|1.491440|2.566648|1.523526|1.551318|1.554715|1.528212|1.499032|1.497256|11.998291|1.187577|1.134897|0.111278|0.119657|0.108607|0.171158|0.207162|0.211842|0.173763|0.303664|0.500000| |3.641610|4.517302|6.828707|8.819584|17.540421|8.948254|13.143452|4.926016|4.043890|3.156740|2.879300|3.152455|4.044536|3.232162|2.120252|3.802334|1.832552|1.695835|0.048859|1.514115|2.632853|1.914738|1.452710|9.541363|2.205751|2.324086|1.720543|2.931681|1.798277|1.856765|1.892597|1.862494|1.800184|1.770971|14.748275|1.273231|1.218521|0.097088|0.102507|0.085347|0.111686|0.120101|0.206102|0.170534|0.173252|0.210993|0.500000| |3.641631|4.517327|6.828698|8.819508|17.541117|8.948844|13.142546|4.931089|4.051328|3.160483|2.882703|3.155745|4.045318|3.231571|2.151681|3.921489|1.847738|1.691769|0.048059|1.507564|2.606563|1.918716|1.464496|9.672394|2.223499|2.349439|1.712675|2.880750|1.795058|1.819843|1.857409|1.867101|1.836994|1.802140|14.823940|1.275210|1.209642|0.102509|0.097087|0.085347|0.120104|0.111685|0.170529|0.206109|0.210996|0.173248|0.303410|0.500000| |2.876979|3.638807|4.524484|6.836675|8.835833|17.532004|16.531689|7.101510|4.792514|3.809564|3.754961|4.605992|6.783624|4.045150|2.576331|4.555984|2.184213|1.931065|0.054501|1.714965|2.993461|2.143582|1.616340|10.457364|2.476635|2.565636|1.835294|3.095485|1.868122|1.859146|1.837904|1.823802|1.828005|1.850616|13.958833|1.415818|1.328078|0.078062|0.075565|0.071659|0.103290|0.097743|0.111885|0.120438|0.205992|0.170211|0.174149|0.213127|0.500000| |2.877217|3.639249|4.525040|6.838302|8.836778|17.530427|16.529677|7.084776|4.779312|3.802459|3.746981|4.595255|6.779057|4.045983|2.522258|4.370226|2.158912|1.937052|0.055683|1.724620|3.033679|2.137888|1.600319|10.290459|2.451827|2.532280|1.844937|3.159275|1.871642|1.898761|1.872126|1.819337|1.791298|1.816505|13.894115|1.413028|1.339899|0.075572|0.078066|0.071665|0.097758|0.103301|0.120444|0.111898|0.170262|0.206041|0.213116|0.174163|0.300885|0.500000| |1.985191|2.230991|2.686041|3.109436|4.111271|4.866949|13.499634|8.958181|17.740154|8.930314|5.642328|4.981229|5.669243|5.645843|3.718157|7.126328|2.881734|2.641129|0.077123|2.194094|3.671239|2.747009|2.160194|13.868221|3.471313|3.861249|2.867276|4.657812|3.105092|3.171528|3.179203|3.114761|3.040506|3.038447|22.793934|1.747977|1.645992|0.055134|0.055106|0.050002|0.060237|0.060201|0.075195|0.075266|0.081852|0.081762|0.116704|0.116965|0.120554|0.120247|0.500000| |1.605923|1.781218|2.043594|2.328162|2.807218|3.326586|7.617410|5.640368|8.972558|17.786804|8.898104|5.665931|4.952339|9.596785|6.628081|13.484768|4.431230|3.991310|0.118459|3.043313|4.923700|3.712509|2.981814|18.236570|5.150672|5.916434|4.297710|6.699086|4.440394|4.240764|3.816063|3.604488|3.703593|4.096618|23.678120|2.255964|2.085998|0.044435|0.044415|0.041326|0.048768|0.048742|0.056723|0.056764|0.063108|0.063052|0.078058|0.078164|0.088575|0.088409|0.215443|0.500000| |1.716138|1.974727|2.191756|2.646008|2.976794|3.899782|7.454836|5.657921|4.977854|5.656710|8.942663|17.697794|8.941778|9.904987|4.976687|7.473677|4.058565|3.184940|0.089081|2.747065|4.899951|3.206937|2.340723|14.146200|3.726072|3.643667|2.507079|4.282124|2.360727|2.263470|2.084103|2.000461|2.059847|2.235093|14.289452|2.046283|1.866274|0.046511|0.046490|0.044848|0.055443|0.055408|0.058795|0.058837|0.074937|0.074850|0.077870|0.077967|0.113736|0.113426|0.107979|0.124305|0.500000| |2.196945|2.638961|3.034103|3.988910|4.658731|7.383432|12.451899|8.870160|5.636622|4.951289|5.650101|8.956553|17.768324|5.715498|3.337425|5.581346|2.775823|2.366706|0.067127|2.078929|3.669583|2.526039|1.877561|11.803482|2.922968|2.966353|2.102946|3.577994|2.075348|2.047000|1.959901|1.903119|1.920411|2.004334|14.080542|1.647314|1.533941|0.059013|0.059023|0.056447|0.074034|0.074054|0.079840|0.079815|0.113378|0.113451|0.115233|0.115156|0.224999|0.225576|0.124210|0.107587|0.217763|0.500000| |1.447523|1.619241|1.785146|2.060136|2.316522|2.810204|5.607678|4.049335|4.318512|5.834223|9.246270|7.309197|4.804864|26.084883|9.474785|10.887018|7.618468|5.269687|0.149600|4.181710|7.370940|4.511958|3.241322|18.301017|5.461543|5.081191|3.421411|5.922030|3.003507|2.803284|2.447716|2.292177|2.388475|2.718962|15.688524|2.724725|2.441865|0.039475|0.039676|0.037980|0.044994|0.045290|0.048825|0.048454|0.057256|0.057870|0.062843|0.062058|0.078498|0.080116|0.098961|0.147405|0.215805|0.113868|0.500000| |1.216809|1.332218|1.448719|1.617735|1.785953|2.050465|4.028615|2.686241|2.948650|3.698305|4.329389|3.619420|2.898759|8.302894|9.030801|12.778539|17.569226|8.858331|0.173102|6.903082|10.302789|7.592178|5.519656|28.075987|9.617290|7.331999|4.104151|6.768346|3.325725|2.825314|2.418283|2.346311|2.599853|3.129582|15.724144|4.143941|3.275316|0.033613|0.033261|0.032148|0.037294|0.036819|0.039490|0.040078|0.045456|0.044603|0.048299|0.049388|0.058252|0.056470|0.073749|0.107348|0.103018|0.072374|0.162730|0.500000| |1.249832|1.375625|1.494789|1.682055|1.853924|2.154248|4.212291|2.845918|3.073792|3.895781|4.861915|4.100745|3.162466|10.349681|8.780803|10.394420|17.592264|8.970101|0.209019|7.294607|12.850438|6.801413|4.521992|23.315087|7.635133|6.084665|3.827759|6.761331|3.105671|2.776242|2.364079|2.224968|2.375183|2.797101|15.025657|3.851230|3.241527|0.034259|0.034277|0.033035|0.038335|0.038360|0.040930|0.040900|0.046949|0.046995|0.050470|0.050412|0.060539|0.060637|0.075417|0.109534|0.120774|0.078981|0.247082|0.301883|0.500000| |1.228889|1.328893|1.468220|1.610664|1.821710|2.034242|4.161324|2.714387|3.248609|4.071812|3.898035|3.071299|2.660699|6.213663|6.448467|15.525372|5.870983|6.596873|0.165070|4.589001|6.470177|6.250100|6.189581|36.386988|13.071856|26.024113|9.246765|10.954918|7.277622|4.921514|3.926718|3.901011|4.772353|7.011842|23.491514|3.448152|3.006082|0.034239|0.033886|0.032186|0.036789|0.036356|0.040532|0.041134|0.044519|0.043757|0.050202|0.051363|0.056298|0.054764|0.086896|0.137991|0.079539|0.064843|0.108428|0.156616|0.123181|0.500000| |1.225767|1.309304|1.453847|1.564938|1.778312|1.923829|3.951819|2.462956|2.956556|3.372853|2.994448|2.490428|2.305295|4.266661|3.390333|6.401709|3.144744|3.692792|0.119667|3.053754|4.797068|4.035007|3.373526|22.055394|5.342584|6.585932|7.224154|13.314599|8.942872|17.752637|8.926737|5.666775|4.951422|5.654107|31.618215|2.498168|2.512530|0.033915|0.034466|0.031986|0.035481|0.036110|0.041264|0.040334|0.041975|0.043028|0.051109|0.049369|0.050904|0.052831|0.084523|0.112831|0.063501|0.056917|0.080106|0.077718|0.079305|0.122371|0.500000| |1.273564|1.344727|1.504426|1.589678|1.818114|1.906616|3.929002|2.346684|2.804047|2.957365|2.531735|2.184121|2.118305|3.393237|2.614201|5.057798|2.367429|2.586970|0.078764|2.223984|3.588474|2.984985|2.463109|17.023013|3.754536|4.519334|4.133987|6.949093|5.631642|8.904513|17.753426|8.919270|5.634981|4.948397|53.891070|1.923625|1.923167|0.035480|0.036045|0.033053|0.036192|0.036788|0.043100|0.042150|0.042272|0.043231|0.052932|0.051198|0.049953|0.051570|0.084993|0.095990|0.055157|0.052829|0.063573|0.060712|0.060547|0.090803|0.214098|0.500000| 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