Version2.0 2020-01-07T02:27:21Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 04-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H]1c2c(sc(n2)NS(=O)(=O)c3ccc(cc3)Cl)C[C@]4([C@H]1[C@H]([C@H](CC4)[C@H](C)C(=O)N(C)CC#C)O)C C04150007 RHF 6-31G(d) (6D,7F) C[C@@H]1c2c(sc(n2)NS(=O)(=O)c3ccc(cc3)Cl)C[C@]4([C@H]1[C@H]([C@H](CC4)[C@H](C)C(=O)N(C)CC#C)O)C C01[X(C26H32Cl1N3O4S2)] 198 C1 616 C[C@H](C(=O)N(CC#C)C)[C@H]1CC[C@@]2([C@@H]([C@H]1O)[C@H](C)c1c(C2)sc(n1)NS(=O)(=O)c1ccc(cc1)Cl)C C[C@H](C(=O)N(CC#C)C)[C@H]1CC[C@@]2([C@@H]([C@H]1O)[C@H](C)c1c(C2)sc(n1)NS(=O)(=O)c1ccc(cc1)Cl)C C[C@@H]([C@H]1CC[C@@]2(C)Cc3sc(N[S](=O)(=O)c4ccc(Cl)cc4)nc3[C@@H](C)[C@@H]2[C@H]1O)C(=O)N(C)CC#C InChIKey=DBRBRKARLCYSHR-QXLMHGPXSA-N InChI=1S/C26H32ClN3O4S2/c1-6-13-30(5)24(32)15(2)19-11-12-26(4)14-20-22(16(3)21(26)23(19)31)28-25(35-20)29-36(33,34)18-9-7-17(27)8-10-18/h1,7-10,15-16,19,21,23,31H,11-14H2,2-5H3,(H,28,29)/t15-,16-,19+,21+,23-,26-/m0/s1 InChI=1/C26H32ClN3O4S2/c1-6-13-30(5)24(32)15(2)19-11-12-26(4)14-20-22(16(3)21(26)23(19)31)28-25(35-20)29-36(33,34)18-9-7-17(27)8-10-18/h1,7-10,15-16,19,21,23,31H,11-14H2,2-5H3,(H,28,29)/t15-,16-,19+,21+,23-,26-/m0/s1/f/h29H C[C@@H]1c2c(sc(n2)NS(=O)(=O)c3ccc(cc3)Cl)C[C@]4([C@H]1[C@H]([C@H](CC4)[C@H](C)C(=O)N(C)CC#C)O)C C01[X(C26H32Cl1N3O4S2)] 198 C01 616 C[C@H](C(=O)N(CC#C)C)[C@H]1CC[C@@]2([C@@H]([C@H]1O)[C@H](C)c1c(C2)sc(n1)NS(=O)(=O)c1ccc(cc1)Cl)C C[C@H](C(=O)N(CC#C)C)[C@H]1CC[C@@]2([C@@H]([C@H]1O)[C@H](C)c1c(C2)sc(n1)NS(=O)(=O)c1ccc(cc1)Cl)C C[C@@H]([C@H]1CC[C@@]2(C)Cc3sc(N[S](=O)(=O)c4ccc(Cl)cc4)nc3[C@@H](C)[C@@H]2[C@H]1O)C(=O)N(C)CC#C InChIKey=DBRBRKARLCYSHR-QXLMHGPXSA-N InChI=1S/C26H32ClN3O4S2/c1-6-13-30(5)24(32)15(2)19-11-12-26(4)14-20-22(16(3)21(26)23(19)31)28-25(35-20)29-36(33,34)18-9-7-17(27)8-10-18/h1,7-10,15-16,19,21,23,31H,11-14H2,2-5H3,(H,28,29)/t15-,16-,19+,21+,23-,26-/m0/s1 InChI=1/C26H32ClN3O4S2/c1-6-13-30(5)24(32)15(2)19-11-12-26(4)14-20-22(16(3)21(26)23(19)31)28-25(35-20)29-36(33,34)18-9-7-17(27)8-10-18/h1,7-10,15-16,19,21,23,31H,11-14H2,2-5H3,(H,28,29)/t15-,16-,19+,21+,23-,26-/m0/s1/f/h29H 4519.7544979435 -2720.3617749 1-A 30141.1750 145 471 616 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.84637 -92.23062 -91.98450 -20.57197 -20.57041 -20.56529 -20.52320 -15.63127 -15.59818 -15.57043 -11.36027 -11.34789 -11.33347 -11.29143 -11.28905 -11.28461 -11.28251 -11.28145 -11.27400 -11.27272 -11.27229 -11.26423 -11.25915 -11.25075 -11.24435 -11.24367 -11.23751 -11.23697 -11.23464 -11.23354 -11.22845 -11.22677 -11.22519 -11.21873 -11.21660 -11.20003 -10.57986 -9.20165 -8.99467 -8.04926 -8.04584 -8.04583 -6.88815 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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|A|A|A| 8.6625 12.3838 18.6833 24.0640 30.9362 36.3093 42.0164 45.5943 61.7998 69.2563 86.8028 91.0183 121.2207 137.3143 144.1026 157.5666 162.9521 166.6385 176.9769 187.4706 199.5735 213.1796 228.1089 235.6456 259.3609 262.9068 269.5646 273.0440 282.9143 286.5014 302.0319 313.5215 330.9695 335.7890 342.0181 352.7221 360.2501 364.0870 376.4839 384.2235 402.2888 408.5561 429.5678 433.2123 442.8508 455.2542 460.3077 464.6661 468.4806 495.5075 523.4162 526.2401 544.0228 552.5300 573.3467 584.9784 619.6841 620.4370 634.1843 646.2161 680.1475 687.3428 689.8705 694.6982 720.3792 730.8226 753.0583 788.8524 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33.8797 5.6148 109.9296 6.1783 11.9721 15.4644 58.1512 69.9927 32.0594 6.1427 39.9463 25.4828 55.6660 19.8094 42.1892 7.4066 7.2504 8.7579 70.5193 8.1600 18.1469 122.5219 10.5132 4.0443 0.2402 27.3383 4.5645 9.6593 2.1109 8.9603 6.1887 15.3985 11.1995 2.4216 40.6526 6.2262 75.4862 326.9872 15.2663 68.0277 55.1607 297.6697 1.0518 2.6461 2.7207 18.1531 19.8081 33.9445 98.2028 34.6237 4.5592 33.3460 11.7903 14.0139 33.5374 30.1396 116.0411 58.1855 17.9773 32.2396 21.9601 39.8261 46.5453 45.2110 22.4565 17.2877 3.3659 11.8200 0.4977 1.0046 0.6910 0.4920 56.6021 86.4151 48.6340 1.2070 1.0655 1.3258 2.2429 2.1398 5.0856 3.8135 1.0257 0.3029 0.4008 1.3142 0.3265 1.1646 1.2750 2.5345 1.4399 0.8221 0.5857 0.2491 1.2287 0.4554 0.7118 0.7350 0.2011 0.6065 1.0781 2.0742 2.5470 3.8693 2.7416 2.6336 0.3823 2.1402 1.6359 0.8769 2.7981 3.5082 1.6592 0.5783 5.9389 1.3171 0.5934 0.5038 0.8467 1.9929 0.1289 0.8952 5.1541 1.3120 0.5762 0.0516 0.6031 0.7827 4.6371 0.8926 0.9471 4.0956 6.0492 1.6235 6.5344 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239.76 254.63 269.73 287.14 306.72 328.20 339.04 373.16 378.26 387.84 392.85 407.05 412.21 434.56 451.09 476.19 483.13 492.09 507.49 518.32 523.84 541.68 552.81 578.80 587.82 618.05 623.30 637.16 655.01 662.28 668.55 674.04 712.92 753.08 757.14 782.73 794.97 824.92 841.65 891.59 892.67 912.45 929.76 978.58 988.93 992.57 999.52 1036.47 1051.49 1083.48 1134.98 1139.06 1155.93 1164.41 1188.99 1199.58 1212.73 1224.38 1257.96 1302.67 1325.68 1359.89 1365.02 1385.62 1388.94 1412.40 1426.36 1450.90 1476.99 1490.22 1502.68 1535.03 1564.43 1571.76 1582.22 1599.74 1604.09 1605.67 1625.08 1645.64 1672.04 1674.76 1688.81 1712.75 1724.41 1727.10 1742.79 1747.02 1752.90 1776.16 1788.49 1798.34 1829.30 1836.63 1849.37 1852.76 1878.66 1880.59 1881.71 1906.11 1917.39 1932.96 1956.22 2012.85 2020.01 2042.09 2050.27 2064.61 2068.58 2083.40 2103.04 2110.82 2126.80 2131.44 2147.66 2161.17 2173.24 2183.16 2189.87 2203.26 2216.67 2229.52 2234.24 2243.49 2249.14 2257.11 2268.98 2284.31 2313.79 2339.23 2352.11 2355.32 2363.53 2366.57 2370.64 2373.63 2382.05 2383.63 2386.81 2388.08 2389.23 2397.70 2403.86 2507.95 2540.97 2576.05 2608.45 2755.96 3473.81 4582.39 4589.64 4599.05 4603.46 4607.71 4620.80 4622.55 4627.02 4632.32 4633.77 4644.14 4647.39 4654.03 4663.89 4699.43 4706.14 4723.19 4730.14 4730.94 4748.52 4764.90 4782.86 4812.26 4823.99 4833.29 4895.23 4900.56 4916.18 4928.04 5271.16 5483.93 5900.14 0.595009 0.628623 0.629567 0.525244 -2719.766766 -2719.733152 -2719.732208 -2719.836530 3.498977D-04 MUNgauss RevisionA2.0 retrievium 07-Jan-2020 DUDE C[C@@H]1c2c(sc(n2)NS(=O)(=O)c3ccc(cc3)Cl)C[C@]4([C@H]1[C@H]([C@H](CC4)[C@H](C)C(=O)N(C)CC#C)O)C C04150007 RHF 6-31G(d) (6D,10F) C1 549.152278 |X|Y|Z| 152.891506 70.522709 42.330627 76.993787 21 6 7 16 17 2 2 |36.858105| |12.368984|36.858105| |8.891946|17.513794|0.500000| |7.716670|12.611108|0.250170|36.858105| |5.345361|7.554326|0.165893|14.262302|36.858105| |3.950977|4.746859|0.116375|7.512453|10.923031|388.023441| |4.646199|5.292507|0.134174|8.699194|7.890611|77.878957|36.858105| |6.461729|7.592591|0.189412|13.733669|8.275098|52.892184|14.996766|53.358707| |3.721556|3.958133|0.105460|5.424608|5.021638|48.921621|13.663808|11.217474|53.358707| |2.972170|3.055721|0.080541|3.911614|3.897098|38.829785|7.004815|6.840007|15.726387|388.023441| |2.605460|2.646697|0.071725|3.216476|3.122230|28.451349|5.046097|5.526220|10.675280|95.058216|73.516695| |2.733197|2.898531|0.075715|3.740427|4.028577|44.267749|6.218237|6.013950|10.501193|95.049632|13.545016|73.516695| |3.078331|2.981636|0.076503|3.675139|3.606537|32.589410|5.589055|6.172704|9.439149|76.560086|13.072069|13.092636|36.858105| |2.946055|2.750041|0.071661|3.221734|3.043227|25.383930|4.446873|5.389916|7.421947|49.595578|11.483948|8.830857|13.727692|36.858105| |2.818035|2.555150|0.066027|2.886872|2.736303|21.782714|3.611451|4.595657|5.506954|33.706688|7.852408|6.824715|7.959347|13.788391|36.858105| |2.807722|2.547353|0.064585|2.874878|2.798983|22.122673|3.454380|4.389050|4.961365|30.024747|6.597939|6.598961|6.946272|7.982973|13.750742|36.858105| |2.911922|2.719704|0.067880|3.171211|3.206249|26.304195|3.896334|4.761577|5.423439|33.672780|6.840652|7.878420|7.961677|6.848780|7.887240|13.773752|36.858105| |3.053919|2.958682|0.074057|3.632847|3.735000|33.531645|5.016368|5.664648|7.225143|49.523300|8.866578|11.580426|13.746410|7.892771|6.844380|7.979191|13.763528|36.858105| |2.486313|2.225601|0.056694|2.410096|2.349009|17.774803|2.691515|3.541466|3.757736|21.678177|4.962969|4.962769|4.252567|4.783197|7.057293|10.966115|7.059443|4.780781|448.794386| |4.544638|6.259056|0.141356|7.593317|12.719573|47.009639|4.883025|6.951883|4.924122|21.627457|4.502266|5.725921|2.891996|2.503734|2.322335|2.418638|2.754780|3.073234|16.926863|36.858105| |4.846211|7.274641|0.172091|6.699342|7.669962|32.891043|4.017075|6.171032|4.241637|18.445951|3.987022|4.724706|2.473744|2.219716|2.079188|2.133290|2.349918|2.558897|15.257565|12.340920|36.858105| |7.392705|12.232719|0.243423|7.537451|6.688413|29.557812|4.048483|6.770765|4.293774|18.412975|4.010257|4.539037|2.546646|2.338244|2.216436|2.263120|2.443956|2.610320|16.296298|7.554815|12.176174|36.858105| |7.340857|8.936672|0.176044|6.519337|6.150772|28.424598|3.824040|6.199207|4.103428|18.101401|3.914233|4.477226|2.584906|2.374507|2.291361|2.385574|2.591923|2.714026|17.368173|7.147281|8.908431|17.504212|0.500000| |5.732668|7.351762|0.197313|4.914289|4.405709|22.395738|3.145528|5.124189|3.537156|15.496832|3.475703|3.798732|2.143501|2.015047|1.930264|1.955050|2.067291|2.172528|14.397589|4.914192|7.533881|12.360314|0.247161|36.858105| |4.885712|6.558142|0.201930|4.674243|4.207128|21.916930|3.091955|5.000005|3.510664|15.259315|3.455418|3.746610|2.065102|1.940677|1.839299|1.843374|1.945114|2.066341|13.500684|4.606516|7.126576|8.927084|0.175485|17.531063|0.500000| |4.140493|4.807070|0.126163|3.742757|3.635013|19.419092|2.622904|4.065527|3.015535|13.656940|3.075371|3.403567|1.904997|1.790438|1.735594|1.780611|1.889655|1.961053|13.341776|4.339584|6.267619|7.405873|0.193688|12.343109|0.249811|36.858105| |3.601545|4.037871|0.111270|3.202262|3.073279|17.076301|2.343599|3.611744|2.749632|12.526780|2.857852|3.108160|1.742904|1.654311|1.606883|1.637887|1.720869|1.779510|12.361255|3.529631|4.800744|5.476500|0.141709|8.933417|0.221810|17.548994|0.500000| |3.496347|4.268414|0.112512|3.637009|3.780437|20.298242|2.617382|3.931441|2.999525|13.677221|3.065909|3.480689|1.875531|1.737175|1.669159|1.717406|1.847397|1.940910|12.770791|4.890609|7.387629|6.403784|0.162522|7.674441|0.201720|12.362457|0.247661|36.858105| |3.764962|4.821584|0.119904|4.406401|4.984341|25.291284|3.078816|4.549561|3.425533|15.563969|3.416212|4.028900|2.123289|1.926214|1.836463|1.905538|2.091344|2.226864|13.958268|7.620201|12.349956|7.519392|0.195001|6.558055|0.168016|7.454863|0.152850|12.437773|36.858105| |3.941940|4.154630|0.104145|3.367331|3.314048|18.206741|2.449521|3.742327|2.843527|13.153992|2.953613|3.279967|1.881678|1.776676|1.752194|1.825112|1.935953|1.969014|13.914027|3.919228|4.940806|5.900708|0.187839|7.230957|0.150561|12.281849|0.248881|7.447666|5.944984|36.858105| |4.185045|4.419758|0.105786|3.686586|3.729026|20.134835|2.651534|4.021237|3.037649|14.103372|3.126340|3.541063|2.034200|1.900922|1.877750|1.978905|2.126299|2.159934|15.025564|4.554140|5.486288|6.440777|0.233093|6.526182|0.136744|8.813482|0.175215|6.871391|6.647391|17.643693|0.500000| |4.071457|3.891243|0.098835|3.105319|2.934984|16.605766|2.318063|3.578870|2.736448|12.706795|2.880166|3.115957|1.847226|1.776321|1.774117|1.841968|1.917987|1.920648|14.253707|3.240139|3.855465|4.893494|0.155738|5.963922|0.127587|7.277612|0.186653|4.803270|4.137061|12.353805|0.247619|36.858105| |2.993947|3.146167|0.081322|2.697901|2.719886|15.640243|2.080000|3.096883|2.463977|11.612537|2.631305|2.921614|1.656651|1.568165|1.552480|1.620417|1.715986|1.737128|12.496346|3.215298|3.860968|4.124094|0.124787|4.845633|0.114634|7.613892|0.200561|6.365194|4.908827|12.446575|0.245764|7.788016|36.858105| |2.698705|2.849285|0.075917|2.446225|2.443089|14.274348|1.917512|2.851713|2.296221|10.819998|2.475771|2.715637|1.530850|1.457010|1.438233|1.488402|1.565203|1.589425|11.486574|2.832477|3.425868|3.612158|0.103947|4.435599|0.110859|6.766135|0.213951|5.816355|4.239667|8.025249|0.164105|6.254308|15.815429|73.516695| |2.685661|2.784525|0.071137|2.482951|2.558780|15.063822|1.973471|2.885158|2.352526|11.268811|2.546936|2.858808|1.621467|1.530446|1.525662|1.610119|1.714662|1.721303|12.528790|3.035662|3.426178|3.528173|0.109588|3.799951|0.091881|5.209133|0.133564|4.949174|4.348033|7.661609|0.205168|5.796828|13.980767|15.102720|53.358707| |2.809181|2.865505|0.071334|2.614275|2.735839|16.172726|2.093045|3.034251|2.483803|12.003636|2.686475|3.058828|1.751899|1.644150|1.650584|1.767397|1.900377|1.890326|13.809119|3.256800|3.478903|3.584944|0.116967|3.578618|0.085429|4.496412|0.109701|4.328456|4.281225|6.524109|0.215395|5.279417|7.637515|9.433618|17.831746|36.858105| |2.233125|2.308947|0.060121|2.098735|2.165998|13.132807|1.723973|2.491417|2.086643|10.102347|2.303939|2.569995|1.449069|1.373763|1.371736|1.444267|1.530676|1.533361|11.320952|2.522382|2.790621|2.809788|0.084501|3.027953|0.076263|3.938465|0.107288|3.912950|3.452723|4.982973|0.131446|4.239014|7.877256|12.561150|17.844169|7.689047|36.858105| |2.069023|2.083137|0.054368|1.900068|1.938774|11.951820|1.589765|2.293899|1.944915|9.492872|2.176786|2.401345|1.375277|1.315319|1.325420|1.398412|1.469499|1.455624|11.113432|2.196622|2.380781|2.454054|0.074157|2.624300|0.066169|3.238425|0.089375|3.091553|2.802681|4.083883|0.108679|3.883700|5.629840|9.349211|10.618774|6.207287|12.900636|36.858105| |1.927152|1.910628|0.050021|1.751146|1.774990|11.083107|1.487099|2.140960|1.834685|9.010742|2.075783|2.271061|1.313350|1.264263|1.281910|1.353487|1.412821|1.389154|10.865938|1.975339|2.113398|2.199705|0.066374|2.335788|0.059178|2.782606|0.077221|2.625119|2.418150|3.436056|0.092187|3.453188|4.351074|7.379397|7.412530|4.884707|7.152297|16.050659|36.858105| |6.472329|6.714217|0.188614|4.398641|3.741966|20.074839|2.963078|4.910192|3.416544|15.011993|3.410732|3.602753|2.111993|2.029331|1.964311|1.973533|2.045060|2.118792|14.686691|3.857190|5.050731|7.875493|0.191712|13.547788|0.262510|7.757209|0.197761|5.072188|4.478878|6.171547|0.151046|6.517835|4.295068|7.154185|4.660162|3.247663|2.786030|2.512352|2.286013|73.516695| |4.079357|6.039014|0.170454|5.847997|6.301611|30.976797|3.902934|5.910039|4.233042|18.119641|3.995716|4.639300|2.336331|2.106835|1.943090|1.954477|2.128807|2.350121|13.911965|7.611271|12.337540|7.340427|0.151555|6.121958|0.198530|5.024986|0.118968|6.042433|7.565923|3.827066|0.109839|3.154545|3.199912|5.341680|3.855584|2.786026|2.415621|2.083459|1.867541|7.839149|36.858105| |17.520027|8.779084|0.173617|6.991872|5.388789|28.716303|4.534225|7.962531|4.940630|21.395100|4.606071|4.974548|3.243337|3.075313|3.008744|3.093396|3.252269|3.336619|22.104318|4.682876|4.674357|6.744860|0.218579|5.049566|0.116939|3.967757|0.094420|3.401147|3.765219|4.033805|0.124716|4.174985|3.063957|4.797106|3.836814|3.051039|2.321130|2.162397|2.017952|9.616750|3.742282|0.500000| |17.677619|8.747053|0.212486|5.566580|4.246462|23.154811|3.704370|6.564747|4.230447|18.190642|4.083636|4.211623|2.648670|2.583741|2.512816|2.502631|2.554567|2.629239|18.325009|3.882128|4.370003|6.714950|0.185663|6.214018|0.143045|4.441955|0.110006|3.536444|3.596589|4.256968|0.120094|4.695019|3.184025|5.149741|3.800736|2.859378|2.317159|2.160808|2.017187|14.957906|3.752225|0.300842|0.500000| |17.592272|8.803865|0.214147|7.140051|4.875669|27.938262|5.057262|9.988537|5.701662|23.183061|5.132453|5.136445|3.389072|3.318710|3.130805|3.023115|3.065372|3.241329|21.082878|3.941015|4.028929|5.427620|0.146080|4.474632|0.113080|3.390419|0.084553|2.963730|3.181982|3.224052|0.093988|3.348773|2.560746|4.175506|3.172789|2.433642|1.982192|1.855679|1.745098|8.928719|3.614364|0.302026|0.300979|0.500000| |3.786819|3.904430|0.107205|5.025902|4.364231|37.381826|9.485733|10.657997|25.903269|60.349546|13.411878|10.140164|6.089641|5.466874|4.059605|3.513940|3.649777|4.573691|21.717995|3.251167|2.922734|3.044623|0.080283|2.565651|0.071064|2.167292|0.055406|2.123751|2.374681|2.037892|0.059810|1.988832|1.763770|2.939829|2.277212|1.753209|1.487144|1.392506|1.317805|4.502327|2.946448|0.099938|0.088755|0.123289|0.500000| |2.813024|2.642485|0.070375|3.056329|2.841042|23.431866|4.214972|5.194620|7.403292|47.335320|13.118293|8.140357|8.903739|17.751696|8.931240|5.665130|4.942389|5.629742|31.648684|2.343465|2.115447|2.230062|0.062026|1.948325|0.052646|1.723227|0.044552|1.670069|1.833579|1.693642|0.049844|1.697603|1.498803|2.494058|1.979050|1.546254|1.310430|1.254742|1.206790|3.508174|2.045043|0.079460|0.069265|0.089230|0.163195|0.500000| |2.626529|2.356673|0.061658|2.591986|2.431394|18.871074|3.121173|4.083843|4.733275|27.822607|6.859540|5.723230|5.650648|8.912001|17.758140|8.915835|5.630772|4.940417|53.946718|2.095107|1.912231|2.052746|0.058780|1.819240|0.048259|1.640334|0.042516|1.567689|1.702741|1.658241|0.048948|1.696348|1.476152|2.443979|1.971109|1.557476|1.308492|1.271666|1.235655|3.328939|1.798547|0.076999|0.066301|0.081387|0.099825|0.214509|0.500000| |2.764721|2.596809|0.064391|2.980953|3.084851|24.704304|3.459472|4.294545|4.641028|27.792949|5.741043|6.890163|5.652849|4.942691|5.629988|8.923885|17.758051|8.906693|53.949925|2.741051|2.326366|2.400790|0.071759|2.035373|0.052870|1.889966|0.047690|1.855369|2.107853|1.962397|0.060354|1.937070|1.751497|2.824156|2.410487|1.987714|1.582455|1.523238|1.466322|3.557375|2.080268|0.086968|0.068088|0.078809|0.086634|0.107401|0.124125|0.500000| |2.986978|2.998073|0.074581|3.764304|4.094935|39.256467|5.193582|5.657159|7.072435|47.232903|8.194046|13.355304|8.916071|5.631055|4.941073|5.663814|8.917698|17.765306|31.632781|3.387483|2.726708|2.701487|0.077988|2.222749|0.058845|2.021307|0.050648|2.033587|2.374829|2.023030|0.062099|1.939909|1.790633|2.903639|2.426295|1.965611|1.586603|1.494986|1.419250|3.780832|2.494011|0.090634|0.071351|0.085921|0.119236|0.124038|0.107379|0.214238|0.500000| |4.405082|5.457992|0.121025|6.202863|8.927810|40.560853|4.329646|6.096002|4.513308|20.608710|4.282602|5.464228|2.872796|2.492818|2.360011|2.514963|2.897792|3.154651|17.820484|17.513038|8.772409|6.759987|0.210184|4.569125|0.113521|4.271534|0.095689|4.688854|7.191518|4.165480|0.142342|3.426185|3.414513|5.195632|4.525039|3.736300|2.715717|2.367104|2.123974|6.579739|5.523720|0.134468|0.105667|0.104826|0.083073|0.063906|0.058999|0.081937|0.097015|0.500000| |3.637352|4.752889|0.115745|5.727634|8.900643|45.226735|4.401650|5.896619|4.628816|20.892505|4.378221|5.720093|2.726598|2.346150|2.165455|2.252089|2.575170|2.896330|15.795799|17.540463|8.795523|5.487518|0.143581|4.069574|0.110616|3.774668|0.088088|4.485060|6.851173|3.405301|0.107236|2.821653|2.937929|4.683340|3.838144|2.996313|2.404416|2.087129|1.877220|5.786238|7.167983|0.102993|0.088798|0.090906|0.084123|0.061300|0.054346|0.071493|0.090209|0.303747|0.500000| |3.256125|4.040616|0.112126|3.478610|3.571654|19.593107|2.553675|3.829515|2.953359|13.388312|3.028331|3.402812|1.807978|1.678574|1.601035|1.631063|1.746035|1.848082|12.080146|4.433121|6.622320|5.598083|0.133697|6.935887|0.217440|8.861759|0.223391|17.550488|8.836678|5.491052|0.139150|4.016422|4.951107|8.786750|5.406899|3.490743|3.351345|2.720177|2.349606|8.439332|6.618732|0.085727|0.091557|0.078444|0.058388|0.045201|0.041892|0.048355|0.053693|0.112647|0.116983|0.500000| |2.984610|3.474788|0.091673|3.062687|3.220243|18.061308|2.315939|3.414431|2.699650|12.540874|2.825614|3.209194|1.730789|1.608157|1.556209|1.609608|1.729795|1.801964|12.096429|4.099708|5.436740|4.816011|0.130549|5.535095|0.145586|8.767675|0.209963|17.577917|8.841845|7.005387|0.177528|4.541544|7.436932|12.353467|7.995112|4.776943|4.714418|3.514823|2.902848|7.366663|4.640772|0.082205|0.084271|0.071550|0.053062|0.042896|0.040723|0.048628|0.052496|0.113608|0.108364|0.306697|0.500000| |3.728541|4.489911|0.107739|4.176793|4.782182|24.799145|2.991935|4.373230|3.342531|15.460265|3.372011|4.014296|2.155542|1.952956|1.883514|1.982975|2.191417|2.302856|14.644456|7.275420|8.842669|6.751929|0.206757|5.669482|0.136279|6.682973|0.137691|8.854589|17.521579|6.496387|0.231011|4.413765|5.356749|7.688232|6.876515|5.346971|3.834638|3.088565|2.642785|7.444389|5.528074|0.108406|0.098669|0.087011|0.064086|0.051131|0.048385|0.062181|0.068418|0.229909|0.176766|0.173837|0.215766|0.500000| |3.184236|4.001384|0.102633|3.891156|4.560705|24.650695|2.913221|4.168973|3.287930|15.135567|3.332222|3.984900|2.036685|1.836996|1.743250|1.807629|1.993063|2.136788|13.222189|6.880609|8.825440|5.478225|0.142285|4.915055|0.134949|5.462549|0.124075|8.847557|17.519372|4.574405|0.138286|3.387313|4.145480|6.622561|5.232111|3.782985|3.219842|2.616085|2.265857|6.437866|7.142438|0.088416|0.084040|0.077281|0.062863|0.048681|0.044866|0.055914|0.063935|0.175551|0.202974|0.215614|0.213571|0.304910|0.500000| |5.094423|4.546046|0.112997|3.492503|3.193386|17.861531|2.549433|4.017976|2.990140|13.744034|3.104505|3.331629|2.014471|1.945735|1.946062|2.014747|2.087206|2.086668|15.515307|3.409638|4.004833|5.489596|0.179616|6.390264|0.132483|6.456989|0.159545|4.381665|4.004092|8.725465|0.215390|17.662899|5.586271|8.353559|6.190254|4.483352|3.477577|3.243710|2.961635|13.997586|3.249001|0.145897|0.172193|0.112398|0.060701|0.051574|0.051661|0.058150|0.058056|0.099820|0.080719|0.104204|0.110389|0.117655|0.090731|0.500000| |3.537564|3.320415|0.084049|2.769581|2.662220|15.463108|2.144614|3.254409|2.559688|12.081623|2.742518|2.972115|1.776298|1.713716|1.730375|1.813429|1.884962|1.863315|14.250256|2.929269|3.327525|4.012387|0.129711|4.510642|0.101741|5.384649|0.140553|4.031362|3.615386|8.772002|0.210987|17.536805|7.320081|10.242074|8.556059|5.977049|4.618661|4.482825|4.047618|8.542186|2.746903|0.103985|0.110149|0.083026|0.051543|0.045300|0.046077|0.053390|0.052217|0.087820|0.071911|0.094634|0.110763|0.110442|0.084755|0.301298|0.500000| |3.648798|3.520993|0.093208|2.815909|2.639686|15.188920|2.143025|3.305659|2.561284|11.889363|2.724412|2.905750|1.714123|1.659932|1.653513|1.699835|1.755354|1.762964|13.177617|2.873271|3.449072|4.264680|0.126451|5.547957|0.125720|6.730993|0.201793|4.469265|3.679780|8.766345|0.174043|17.574511|6.979847|11.741015|6.868456|4.326671|3.993199|3.714160|3.344062|11.416293|2.966131|0.100125|0.118887|0.085703|0.052110|0.044449|0.044219|0.048963|0.049298|0.082288|0.070786|0.108885|0.118709|0.104621|0.085866|0.301321|0.302651|0.500000| |2.933140|3.075799|0.075552|2.863010|3.084452|18.018992|2.273079|3.269800|2.665894|12.864830|2.851587|3.312495|1.867321|1.730458|1.724834|1.853375|2.021114|2.029901|14.296732|3.821912|3.992556|3.930574|0.129627|3.739049|0.089522|4.621024|0.108473|4.763582|5.109857|6.218025|0.226047|4.707216|6.525856|8.387161|12.260933|17.561934|6.020495|4.755761|3.885674|5.802430|3.097015|0.089019|0.080954|0.070334|0.051769|0.045024|0.044842|0.058888|0.059340|0.125947|0.097906|0.104551|0.144627|0.192898|0.125551|0.116563|0.137342|0.107705|0.500000| |2.454379|2.482750|0.062462|2.311146|2.426875|14.768837|1.910427|2.735519|2.296400|11.246107|2.528819|2.875860|1.647533|1.550660|1.565322|1.683043|1.806555|1.783861|13.292891|2.836449|2.950308|2.994504|0.095475|2.975322|0.072846|3.603820|0.090960|3.548570|3.540771|4.802142|0.149833|4.202621|5.704944|7.877353|12.557010|17.638849|7.717484|6.995454|5.591528|4.890773|2.436436|0.073944|0.069112|0.060205|0.045020|0.040494|0.041144|0.052849|0.051519|0.089733|0.074001|0.082632|0.109285|0.118726|0.090423|0.101952|0.134058|0.100301|0.302074|0.500000| |3.083473|3.036223|0.074692|2.730986|2.801071|16.485811|2.171172|3.179336|2.574587|12.416693|2.775582|3.132260|1.835926|1.733882|1.754376|1.885183|2.015133|1.983954|14.827933|3.243792|3.441763|3.741615|0.126303|3.703654|0.086456|4.465089|0.108431|4.011761|3.996574|6.811029|0.232664|6.208586|6.827703|8.622226|12.262061|17.608643|5.873628|5.404817|4.603230|6.200095|2.734793|0.094929|0.088047|0.073535|0.050697|0.045156|0.046055|0.058567|0.056781|0.103946|0.081004|0.090987|0.116439|0.136311|0.096015|0.148787|0.212213|0.133190|0.299995|0.304093|0.500000| |2.104599|2.197154|0.057106|2.037742|2.136918|13.101848|1.696566|2.424620|2.056598|10.024722|2.282080|2.571641|1.434318|1.352558|1.348465|1.424637|1.519362|1.525081|11.150412|2.510864|2.719801|2.656689|0.079611|2.783552|0.071007|3.525178|0.094326|3.696957|3.399352|4.247111|0.117589|3.565314|5.985433|9.587624|12.469079|7.084163|17.559149|9.090882|5.993319|4.491416|2.364465|0.060983|0.059773|0.052244|0.040498|0.035772|0.035628|0.043825|0.044115|0.075487|0.067596|0.088766|0.124667|0.105839|0.090795|0.084448|0.105864|0.092533|0.169796|0.217571|0.144936|0.500000| |2.162936|2.257516|0.059661|2.037952|2.089382|12.666992|1.672560|2.424476|2.029836|9.782096|2.242330|2.483485|1.391724|1.322236|1.314193|1.373202|1.449813|1.460535|10.721780|2.422147|2.734575|2.742591|0.080432|3.045302|0.078135|4.024544|0.114693|4.027113|3.384472|4.784047|0.119834|4.069487|7.758240|15.209197|12.584797|5.659154|17.692277|9.075125|5.966119|4.973024|2.424213|0.061457|0.062747|0.053523|0.040331|0.035224|0.034906|0.041363|0.041914|0.070939|0.064484|0.098229|0.138008|0.100329|0.088389|0.092473|0.118092|0.111702|0.133844|0.150516|0.129636|0.302413|0.500000| |1.803191|1.769976|0.046489|1.629846|1.644427|10.375200|1.401372|2.013005|1.741195|8.595017|1.988259|2.160290|1.257860|1.217282|1.239998|1.309135|1.358767|1.328898|10.594553|1.805962|1.914829|2.002503|0.060224|2.114512|0.053857|2.456605|0.068385|2.308447|2.149118|2.971844|0.080178|3.072030|3.574910|6.135991|5.769283|3.992145|5.120354|8.490003|18.023083|3.730604|1.706399|0.052457|0.052461|0.045746|0.034830|0.032307|0.033336|0.039190|0.037558|0.053775|0.047727|0.058105|0.069714|0.064767|0.056153|0.074946|0.099737|0.083412|0.091334|0.125578|0.108657|0.126211|0.125770|0.500000| |4.981284|5.127480|0.150394|3.658845|3.198174|17.776686|2.612454|4.230626|3.076909|13.687045|3.147113|3.292081|1.918695|1.856013|1.801772|1.804805|1.858869|1.918659|13.554052|3.323081|4.283751|5.871343|0.146348|9.848957|0.235081|7.315911|0.218680|4.805079|4.009554|5.753677|0.133416|6.288848|4.288286|7.519540|4.561763|3.075920|2.785968|2.523814|2.301363|35.739659|3.939530|0.119441|0.173849|0.115097|0.063626|0.050438|0.048056|0.050615|0.053449|0.088700|0.080337|0.129315|0.112435|0.103523|0.092615|0.192673|0.129642|0.194114|0.084340|0.073176|0.090636|0.069499|0.079217|0.058756|0.500000| |4.378759|6.755470|0.205653|7.000050|6.950692|34.639522|4.607780|7.159907|4.906408|20.160791|4.445143|5.084688|2.537719|2.283871|2.073419|2.056347|2.230572|2.499610|14.433545|6.812581|8.675699|6.704242|0.139072|5.448315|0.176243|4.233166|0.103208|4.631013|5.474464|3.360376|0.096359|2.909085|2.806943|4.710521|3.413799|2.494614|2.160539|1.901123|1.725529|7.586553|17.606970|0.108068|0.108924|0.111385|0.095363|0.062095|0.053205|0.059670|0.073201|0.138205|0.174625|0.138185|0.103428|0.122936|0.143328|0.085202|0.070794|0.076465|0.075997|0.061276|0.069164|0.058593|0.060051|0.044193|0.105207|0.500000| |3.777141|5.289371|0.158845|4.702453|4.736242|24.994159|3.295062|5.033136|3.709811|16.100897|3.622408|4.075124|2.095932|1.923268|1.788935|1.792248|1.925719|2.096600|12.925573|5.489202|8.650215|6.522056|0.136178|6.649990|0.249003|5.544657|0.137171|6.720624|6.896109|3.943351|0.107847|3.245531|3.343249|5.752768|3.916050|2.737130|2.473461|2.123183|1.897495|8.347501|17.611849|0.094840|0.100973|0.093120|0.073207|0.052236|0.046471|0.052339|0.061076|0.122680|0.144801|0.235539|0.139929|0.139167|0.179129|0.091306|0.077468|0.087048|0.082805|0.066459|0.074292|0.066572|0.070248|0.048065|0.120941|0.303234|0.500000| 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