Version2.0 2020-07-17T18:26:43Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 05-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc2c(cc1C)sc(n2)N(C[C@H]3CCCO3)C(=O)c4ccc(cc4)S(=O)(=O)N5CCCC[C@@H]5C C10526516 RHF 6-31G(d) (6D,7F) Cc1cc2c(cc1C)sc(n2)N(C[C@H]3CCCO3)C(=O)c4ccc(cc4)S(=O)(=O)N5CCCC[C@@H]5C C01[X(C27H33N3O4S2)] 201 C1 614 O=C(N(c1sc2c(n1)cc(c(c2)C)C)C[C@H]1CCCO1)c1ccc(cc1)S(=O)(=O)N1CCCC[C@@H]1C O=C(N(c1sc2c(n1)cc(c(c2)C)C)C[C@H]1CCCO1)c1ccc(cc1)S(=O)(=O)N1CCCC[C@@H]1C C[C@H]1CCCCN1[S](=O)(=O)c2ccc(cc2)C(=O)N(C[C@H]3CCCO3)c4sc5cc(C)c(C)cc5n4 InChIKey=ZQPOYSNICONRHO-RBBKRZOGSA-N InChI=1S/C27H33N3O4S2/c1-18-15-24-25(16-19(18)2)35-27(28-24)29(17-22-8-6-14-34-22)26(31)21-9-11-23(12-10-21)36(32,33)30-13-5-4-7-20(30)3/h9-12,15-16,20,22H,4-8,13-14,17H2,1-3H3/t20-,22+/m0/s1 InChI=1/C27H33N3O4S2/c1-18-15-24-25(16-19(18)2)35-27(28-24)29(17-22-8-6-14-34-22)26(31)21-9-11-23(12-10-21)36(32,33)30-13-5-4-7-20(30)3/h9-12,15-16,20,22H,4-8,13-14,17H2,1-3H3/t20-,22+/m0/s1 Cc1cc2c(cc1C)sc(n2)N(C[C@H]3CCCO3)C(=O)c4ccc(cc4)S(=O)(=O)N5CCCC[C@@H]5C C01[X(C27H33N3O4S2)] 201 C01 614 O=C(N(c1sc2c(n1)cc(c(c2)C)C)C[C@H]1CCCO1)c1ccc(cc1)S(=O)(=O)N1CCCC[C@@H]1C O=C(N(C1=N[C]2[C]([CH][C]([C]([CH]2)C)C)S1)C[C@H]1CCCO1)[C]1[CH][CH][C]([CH][CH]1)S(=O)(=O)N1CCCC[C@@H]1C C[C]1[CH][C]2SC(=N[C]2[CH][C]1C)N(C[C@H]3CCCO3)C(=O)[C]4[CH][CH][C]([CH][CH]4)[S](=O)(=O)N5CCCC[C@@H]5C InChIKey=ZQPOYSNICONRHO-RBBKRZOGSA-N InChI=1S/C27H33N3O4S2/c1-18-15-24-25(16-19(18)2)35-27(28-24)29(17-22-8-6-14-34-22)26(31)21-9-11-23(12-10-21)36(32,33)30-13-5-4-7-20(30)3/h9-12,15-16,20,22H,4-8,13-14,17H2,1-3H3/t20-,22+/m0/s1 InChI=1/C27H33N3O4S2/c1-18-15-24-25(16-19(18)2)35-27(28-24)29(17-22-8-6-14-34-22)26(31)21-9-11-23(12-10-21)36(32,33)30-13-5-4-7-20(30)3/h9-12,15-16,20,22H,4-8,13-14,17H2,1-3H3/t20-,22+/m0/s1 4281.4031629343 -2299.4233472 1-A 30728.7296 140 474 614 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.20771 -91.97015 -20.55947 -20.55628 -20.55036 -20.54917 -15.62725 -15.60191 -15.55622 -11.38094 -11.35223 -11.28598 -11.28430 -11.28382 -11.27920 -11.27154 -11.27117 -11.27076 -11.26955 -11.26865 -11.26855 -11.26587 -11.25867 -11.25141 -11.23723 -11.23608 -11.23406 -11.23279 -11.23040 -11.22983 -11.22867 -11.22767 -11.22508 -11.22121 -11.22111 -11.21909 -9.17879 -8.97925 -6.86539 -6.86473 -6.86385 -6.66146 -6.66059 -6.65859 -1.47738 -1.43104 -1.38865 -1.35191 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0.99994 0.00580 -0.00319 -0.00577 0.99998 1 0.01108 0.00176 0.00163 0.23083 0.03673 0.03396 13.25 19.97 29.75 41.15 45.09 52.23 58.05 69.89 102.71 115.52 120.05 134.04 164.58 173.78 197.47 209.70 211.84 242.43 260.62 279.20 291.30 334.46 342.77 351.47 374.78 406.08 423.06 434.22 442.47 457.17 474.30 493.13 500.91 513.68 534.67 544.94 586.93 603.92 618.82 625.72 637.66 657.17 682.87 685.20 700.72 712.21 749.19 766.40 786.39 841.87 853.21 868.59 909.47 938.75 956.31 962.46 982.95 991.24 1032.81 1046.41 1073.47 1092.67 1100.01 1151.65 1169.05 1177.92 1185.13 1242.77 1254.03 1282.96 1284.09 1310.98 1328.99 1360.91 1365.70 1382.14 1388.33 1406.80 1416.06 1421.79 1430.46 1441.85 1441.86 1507.03 1539.58 1546.67 1571.84 1579.68 1584.07 1590.66 1601.77 1608.89 1613.17 1617.87 1622.79 1639.44 1663.97 1672.44 1676.00 1692.86 1699.03 1717.83 1734.03 1774.92 1780.62 1805.38 1811.61 1824.90 1835.52 1859.79 1864.42 1872.61 1886.89 1894.78 1898.00 1900.82 1906.47 1921.05 1975.16 1982.66 2000.62 2012.52 2027.73 2034.92 2060.16 2080.26 2085.19 2092.48 2109.51 2113.50 2117.44 2139.39 2166.67 2175.42 2197.41 2203.32 2216.76 2230.49 2235.23 2238.82 2242.92 2244.97 2266.95 2267.70 2272.29 2276.78 2336.30 2338.78 2346.46 2353.81 2355.52 2356.57 2360.74 2362.99 2368.75 2372.10 2376.74 2378.79 2379.06 2394.72 2414.55 2426.45 2487.48 2519.30 2534.40 2609.21 2620.10 2811.28 4548.27 4560.27 4591.32 4602.33 4608.66 4617.76 4623.24 4625.10 4641.71 4649.86 4656.50 4666.28 4671.32 4672.49 4678.18 4680.08 4690.84 4702.96 4720.18 4721.95 4724.44 4740.98 4759.84 4774.64 4818.63 4839.45 4844.12 4857.54 4860.91 4866.12 4882.79 4914.98 4928.43 0.614359 0.646064 0.647008 0.546505 -2298.808988 -2298.777284 -2298.776340 -2298.876842 3.370854D-04 MUNgauss RevisionA2.0 retrievium 17-Jul-2020 DUDE Cc1cc2c(cc1C)sc(n2)N(C[C@H]3CCCO3)C(=O)c4ccc(cc4)S(=O)(=O)N5CCCC[C@@H]5C C10526516 RHF 6-31G(d) (6D,10F) C1 527.191250 |X|Y|Z| 161.130038 59.052513 35.757799 69.811755 30 6 7 8 16 24 3 1 2 |36.858105| |12.599734|36.858105| |7.616431|13.813261|36.858105| |5.030917|7.928834|13.676850|36.858105| |4.450085|6.880014|7.942221|13.782379|36.858105| |5.008891|7.882253|6.839028|7.898590|13.712567|36.858105| |7.501946|13.471722|7.879471|6.843182|7.955019|13.796787|36.858105| |6.461627|7.494198|5.006720|4.434620|5.039250|7.612856|12.599516|36.858105| |3.170925|4.234420|4.884337|7.428077|10.903098|6.705525|4.671504|3.565243|388.023441| |3.186170|4.151794|5.404208|8.675727|7.812046|4.979887|4.043968|3.086194|76.811504|36.858105| |3.835958|5.144611|7.727760|13.766549|8.157545|5.246305|4.575642|3.357072|52.398964|14.975735|53.358707| |2.622877|3.214672|3.993781|5.405887|4.985161|3.663346|3.118492|2.516363|48.550682|13.615291|11.163519|53.358707| |2.521093|2.979791|3.745011|4.646278|3.980347|3.088903|2.776749|2.277131|33.036741|7.818470|9.517342|17.608433|36.858105| |2.354846|2.729089|3.335342|3.963793|3.486492|2.805708|2.555013|2.133533|28.278646|5.756272|7.296878|10.364580|12.424270|36.858105| |2.100774|2.412742|2.859763|3.371593|3.104361|2.551389|2.307753|1.961872|26.056230|4.881993|5.887802|9.081235|8.871137|17.573528|0.500000| |2.281189|2.553778|3.096723|3.437502|2.955211|2.468418|2.332701|1.978197|22.314199|4.253969|5.968187|6.772039|7.513088|12.429865|0.242598|36.858105| |2.644674|2.949707|3.646174|3.905773|3.228851|2.709575|2.617663|2.195032|22.902611|4.311027|6.578285|6.102969|5.970067|8.004771|0.160712|12.440207|36.858105| |2.743138|3.154790|3.856491|4.318672|3.687668|3.054384|2.877177|2.389120|26.634908|4.880640|7.111091|6.613439|5.716813|8.159194|0.169749|8.019942|12.468482|36.858105| |2.571001|3.032585|3.703986|4.474354|3.975977|3.171493|2.859969|2.360998|31.788218|6.188782|7.919445|9.290277|7.868634|13.571699|0.262501|8.131402|8.102305|13.483748|73.516695| |2.271814|2.731524|3.210594|4.141707|4.184006|3.257651|2.745303|2.288906|43.893925|7.901092|7.262997|18.859300|7.647906|5.947055|0.171797|4.080919|3.583091|3.934528|9.638067|36.858105| |2.244701|2.718123|3.097982|4.002369|4.371643|3.461846|2.829737|2.379871|50.834827|6.930013|6.452352|11.476692|5.328028|4.593656|0.132602|3.365323|3.092162|3.496215|8.193136|15.927393|73.516695| |1.960341|2.280941|2.633675|3.198299|3.161218|2.597214|2.268262|1.944019|29.565347|5.047951|5.407942|10.459131|6.522454|5.451055|0.175728|3.971591|3.277453|3.417289|8.008070|12.642177|14.544913|36.858105| |1.770793|2.032386|2.299815|2.726285|2.733484|2.312753|2.036499|1.776824|24.937280|3.967343|4.425366|7.281843|4.902445|4.808553|0.168087|3.647346|3.005183|3.192350|7.371748|7.664297|11.540985|13.713298|36.858105| |1.584765|1.786931|1.999055|2.305630|2.295037|1.988431|1.782754|1.578987|20.002387|3.134973|3.663941|5.439140|3.917837|3.892582|0.132829|3.212600|2.639044|2.715151|5.933853|5.061184|7.990816|7.933401|13.786605|36.858105| |1.544330|1.728484|1.935410|2.207691|2.171411|1.889699|1.711316|1.519298|18.496773|2.938435|3.508446|5.056041|3.750497|3.537099|0.114815|3.042999|2.499266|2.486172|5.282090|4.462495|6.910395|6.887537|7.954568|13.715934|36.858105| |1.663554|1.871664|2.119176|2.433253|2.365162|2.033627|1.840292|1.618616|20.140395|3.298699|3.933809|5.815240|4.328704|3.759026|0.116777|3.214993|2.643590|2.582873|5.489220|5.021085|7.409180|7.927923|6.862239|7.908444|13.756203|36.858105| |1.884372|2.161488|2.491355|2.948245|2.855749|2.385236|2.124439|1.834263|25.208607|4.323670|4.937251|8.297904|5.827380|4.590034|0.139504|3.669710|3.023773|2.993530|6.593482|7.538924|9.959156|13.739589|7.928664|6.866842|7.958853|13.751789|36.858105| |1.355749|1.492672|1.647682|1.835956|1.805946|1.606787|1.476684|1.331253|14.888318|2.309712|2.844755|3.767295|2.840378|2.754265|0.086881|2.510121|2.107184|2.072502|4.230914|3.148692|5.098792|4.189130|4.722872|6.937652|10.692280|6.930688|4.718148|388.023441| |1.339917|1.465537|1.619139|1.786686|1.739836|1.552570|1.439352|1.299175|14.086662|2.206760|2.764821|3.561030|2.732517|2.588023|0.079273|2.419746|2.042222|1.967553|3.949453|2.875745|4.615114|3.699837|3.830465|4.944932|7.365142|6.558593|4.447128|94.898492|73.516695| |1.306554|1.431743|1.576781|1.746083|1.713472|1.531230|1.413795|1.278693|14.001866|2.169865|2.694594|3.505562|2.687183|2.725834|0.087373|2.527974|2.111321|2.082057|4.216665|2.885548|4.702329|3.710792|4.389968|6.362978|7.378295|5.059810|3.888423|94.715179|13.688211|73.516695| |1.276398|1.403869|1.529871|1.701673|1.703058|1.533930|1.405264|1.278767|14.080451|2.108504|2.586749|3.348418|2.432171|2.347922|0.072844|2.126428|1.839793|1.840712|3.733175|2.838566|4.801608|3.600294|4.072479|5.543233|6.879734|5.145173|3.898332|82.326031|13.534039|13.729785|53.358707| |1.241507|1.366275|1.479858|1.647118|1.664572|1.507627|1.377009|1.258627|13.823002|2.032218|2.482786|3.191897|2.290587|2.266158|0.070902|2.040493|1.781301|1.812640|3.679216|2.731180|4.738602|3.371033|4.024622|5.399179|5.540677|4.130555|3.403591|51.250696|8.863136|12.077382|17.566662|36.858105| |1.138891|1.244527|1.334673|1.471119|1.493324|1.370275|1.258703|1.161993|12.224845|1.769347|2.185292|2.714351|1.942505|1.920401|0.058965|1.754641|1.559689|1.586988|3.168405|2.278401|4.015932|2.689145|3.079506|3.785198|3.887965|3.183912|2.724282|34.645693|6.986930|8.398972|10.526795|12.515527|36.858105| |1.134502|1.240192|1.324163|1.459096|1.490182|1.373656|1.260051|1.166930|12.195295|1.744272|2.153124|2.650520|1.871009|1.814216|0.054919|1.652615|1.483972|1.509677|3.007582|2.225774|3.966724|2.587418|2.856559|3.367588|3.547822|3.073717|2.664273|29.792500|6.457227|6.677103|8.923531|7.614783|12.506169|36.858105| |1.168930|1.277584|1.370516|1.509717|1.530921|1.404626|1.291160|1.191019|12.493041|1.810301|2.240921|2.769455|1.966738|1.872906|0.056350|1.711436|1.528985|1.537534|3.063172|2.311936|4.052853|2.726590|2.913996|3.453514|3.906267|3.494652|2.930318|34.013185|7.855092|6.982313|10.613333|6.621902|7.633835|12.489568|36.858105| |1.279739|1.409017|1.527828|1.699894|1.714481|1.551370|1.418072|1.294157|14.185105|2.091836|2.562603|3.277614|2.329408|2.189799|0.066512|1.975070|1.737031|1.740606|3.517523|2.782704|4.784896|3.435910|3.666263|4.537243|5.572019|4.865401|3.819434|49.145830|10.857511|8.727875|17.410889|7.720593|6.453222|7.434290|12.399962|36.858105| |1.343554|1.490588|1.616289|1.815835|1.850097|1.668139|1.510457|1.374512|15.575530|2.267622|2.737491|3.562658|2.468508|2.300043|0.069939|2.035458|1.797256|1.821458|3.720739|3.106712|5.435553|3.846983|4.110381|4.949368|5.783271|5.127978|4.191743|42.350128|9.009264|7.853961|12.390509|7.132584|5.775525|6.799653|8.870246|17.471924|0.500000| |1.299283|1.425405|1.550066|1.714963|1.712633|1.548528|1.424601|1.298174|13.980398|2.090491|2.590853|3.266330|2.349888|2.159418|0.064449|1.972189|1.736879|1.713467|3.433541|2.702742|4.562667|3.300895|3.307461|3.908846|5.063149|5.056549|3.905150|42.796521|11.995759|7.519432|10.115814|4.928035|4.361950|4.913751|7.661652|12.464185|0.247558|36.858105| |17.539091|8.811286|5.906305|4.302039|3.977746|4.579140|6.663742|6.537116|20.801476|2.888824|4.604880|3.287580|2.308781|2.136317|0.053540|2.066266|2.340795|2.403420|4.076364|2.124337|3.751039|1.850350|1.671784|1.506416|1.477332|1.594775|1.796154|9.277113|2.301658|2.226157|1.681019|1.198826|1.104871|1.106263|1.142226|1.245865|0.036317|1.269806|0.500000| |17.538512|8.810958|5.906385|4.301788|3.977136|4.578121|6.662370|6.536149|20.805324|2.888274|4.603547|3.282991|2.323683|2.222425|0.055496|2.162120|2.517585|2.652147|4.369175|2.119443|3.751623|1.839321|1.683714|1.511030|1.463784|1.561070|1.755268|9.186730|2.260425|2.227070|1.660418|1.193673|1.098305|1.091422|1.118596|1.219056|0.035517|1.230818|0.302701|0.500000| |17.585945|8.858276|7.361317|4.787799|3.991821|4.171409|5.543722|4.738419|21.100007|3.127838|5.242528|3.568008|2.591546|2.424051|0.059538|2.401100|2.825293|2.845972|4.651024|2.244329|3.876231|1.957591|1.764928|1.586829|1.554307|1.679237|1.896794|9.724729|2.414581|2.346815|1.740068|1.238440|1.134027|1.126345|1.164093|1.277154|0.037076|1.301913|0.302056|0.302021|0.500000| |7.038399|8.907669|17.720208|8.929203|5.657927|4.934694|5.603698|4.072140|28.869975|4.822365|9.533403|5.177491|3.798000|3.400016|0.079845|3.294213|3.990566|3.985302|6.548745|3.029360|5.066851|2.553731|2.233061|1.962184|1.916014|2.104223|2.453318|11.669753|2.888347|2.800044|2.055794|1.453611|1.310172|1.295345|1.345509|1.501390|0.043803|1.531875|0.152805|0.152765|0.226373|0.500000| |4.079573|5.611851|4.933995|5.628045|8.884740|17.712862|8.933550|7.069662|44.079065|4.301526|5.788756|4.526402|2.783345|2.559059|0.066020|2.244192|2.417461|2.732039|5.110600|3.093734|6.035635|2.491328|2.250658|1.941844|1.837027|1.959464|2.277932|11.162039|2.683256|2.658826|2.062949|1.499558|1.370222|1.379415|1.402805|1.539885|0.046198|1.527547|0.107682|0.107661|0.095829|0.107208|0.500000| |6.531706|6.653195|4.575447|3.964835|4.308051|5.903270|8.808611|17.538022|22.561224|2.824304|4.201671|3.186076|2.155904|2.060044|0.052632|1.934115|2.170906|2.371408|4.086433|2.130929|3.915612|1.827813|1.687981|1.506733|1.445657|1.529386|1.720686|9.058614|2.207636|2.189953|1.662723|1.206385|1.115603|1.115471|1.134753|1.229461|0.036135|1.229974|0.174265|0.213107|0.133546|0.107415|0.153293|0.500000| |6.532401|6.652851|4.575162|3.964640|4.308104|5.903781|8.808734|17.537927|22.553281|2.824569|4.202380|3.190044|2.143880|1.990815|0.050952|1.864534|2.054424|2.188504|3.843672|2.135741|3.914593|1.838520|1.675860|1.502079|1.458634|1.560966|1.759057|9.144861|2.245918|2.189000|1.683337|1.211650|1.122436|1.131278|1.159394|1.256921|0.036976|1.268827|0.213169|0.174273|0.133562|0.107428|0.153304|0.302675|0.500000| |4.738483|5.540487|4.170197|3.979331|4.791611|7.358385|8.856541|17.584002|25.511134|2.970189|4.237156|3.329317|2.181717|2.049865|0.052980|1.880836|2.055913|2.256675|4.030829|2.273345|4.280271|1.930080|1.775497|1.577048|1.511240|1.602048|1.811406|9.423438|2.289056|2.260997|1.745828|1.268309|1.174339|1.182889|1.202599|1.302293|0.038571|1.300105|0.133627|0.133610|0.104080|0.095715|0.227658|0.302141|0.302131|0.500000| |2.262642|2.616432|3.193832|3.811716|3.367152|2.705209|2.456246|2.057322|27.885342|5.825117|7.159514|12.374018|17.672960|8.881534|0.221361|6.580597|4.909647|4.490618|10.183916|7.026437|8.684661|7.347904|5.284176|4.388551|4.419739|5.405588|7.499111|23.136227|5.648337|5.362401|3.676259|2.482971|2.080163|2.000468|2.133787|2.574329|0.075209|2.635013|0.058449|0.058012|0.064739|0.090602|0.068828|0.054084|0.054436|0.055048|0.500000| |2.814347|3.330608|4.366382|5.315270|4.210982|3.252625|2.993969|2.419434|32.019501|7.721286|11.604833|12.623552|17.727173|8.801358|0.174279|7.150778|6.534054|5.746200|12.051832|5.741837|7.856336|4.895155|3.855978|3.231170|3.172066|3.668700|4.696365|17.848941|4.387834|4.225111|2.964305|2.046268|1.765070|1.713305|1.806351|2.110440|0.061676|2.158117|0.071030|0.070927|0.081771|0.127789|0.079488|0.063567|0.063638|0.063357|0.304026|0.500000| |2.056274|2.271218|2.677363|2.932158|2.599195|2.219691|2.102866|1.814577|19.740946|3.550410|4.863159|5.593207|5.565127|8.825236|0.224104|17.560859|8.801425|6.808070|12.001960|3.610740|5.441036|3.641199|3.534340|3.200877|2.990296|3.046558|3.345904|17.935083|4.275968|4.641904|2.895736|2.063182|1.773907|1.650958|1.696228|1.946097|0.055332|1.922978|0.052030|0.054813|0.059804|0.078278|0.056846|0.049616|0.047521|0.048241|0.144579|0.142596|0.500000| |2.210216|2.446690|2.962670|3.239012|2.770075|2.330755|2.220980|1.893200|20.743926|3.944638|5.606960|6.339562|7.224286|8.670490|0.191668|17.567435|8.651528|5.708470|10.367804|3.841891|5.590382|3.878596|3.481688|3.158142|3.113348|3.377561|3.803124|18.433039|4.551662|4.586204|2.947640|2.040853|1.756054|1.660130|1.739982|2.017568|0.057276|2.048329|0.056183|0.057667|0.065147|0.088829|0.058890|0.051174|0.050128|0.049901|0.198816|0.203062|0.301932|0.500000| |2.494720|2.697439|3.229503|3.322271|2.804136|2.429666|2.391828|2.047625|19.571254|3.482080|5.275229|4.864298|4.497660|5.711283|0.128304|8.675957|17.583075|8.710843|10.382401|2.988517|4.696798|2.799348|2.628728|2.367104|2.254766|2.355053|2.621529|13.864279|3.374824|3.510388|2.326923|1.661095|1.466987|1.392435|1.430553|1.610103|0.045957|1.610016|0.061509|0.066864|0.074675|0.099048|0.060740|0.056919|0.053505|0.053209|0.109362|0.134733|0.217850|0.193981|0.500000| |2.976028|3.330874|4.288833|4.491924|3.518640|2.921952|2.862586|2.361203|24.014211|4.664632|7.726791|6.320226|6.171952|6.777953|0.137371|8.788691|17.570930|8.823031|11.870671|3.569023|5.468493|3.204150|2.850486|2.504463|2.416027|2.614608|3.027239|14.486899|3.555929|3.570777|2.434957|1.717019|1.510442|1.451180|1.505720|1.710705|0.049238|1.729742|0.072623|0.077118|0.090033|0.136670|0.071077|0.064453|0.061758|0.060652|0.139453|0.214987|0.173836|0.216683|0.301692|0.500000| |2.475805|2.783582|3.259332|3.558415|3.177020|2.727521|2.585821|2.204382|23.115186|3.938383|5.544512|5.411849|4.508335|6.384641|0.151116|6.614094|8.763708|17.543740|16.605106|3.438041|5.577966|3.083332|2.998619|2.596296|2.352232|2.388100|2.698615|14.185551|3.342300|3.621396|2.422623|1.772736|1.558628|1.472262|1.486745|1.670042|0.048365|1.630067|0.060718|0.067739|0.070935|0.092737|0.069158|0.061486|0.056090|0.058323|0.104572|0.122152|0.182475|0.134927|0.220182|0.174771|0.500000| |3.190975|3.742888|4.651439|5.143630|4.274364|3.529556|3.357650|2.729126|28.955319|5.159580|7.993213|6.334989|5.051564|6.102615|0.133269|5.774932|8.690508|17.617020|16.633489|3.730959|6.081975|3.138925|2.896919|2.465462|2.274824|2.382204|2.772355|13.576423|3.238938|3.378066|2.342775|1.696312|1.498769|1.438671|1.464813|1.647713|0.048078|1.626998|0.075865|0.086047|0.091560|0.131953|0.085806|0.075714|0.068495|0.070745|0.110591|0.148355|0.137641|0.127701|0.191212|0.221780|0.300748|0.500000| |1.785437|2.056280|2.310421|2.747254|2.799608|2.378356|2.079560|1.817901|25.849686|3.957856|4.388240|6.927574|4.538964|4.756781|0.167239|3.567942|3.016041|3.338118|7.823037|7.151285|12.031978|8.920277|17.739652|8.926362|5.651525|4.948294|5.646794|27.761012|5.707072|6.794443|4.800834|3.668218|2.894036|2.670823|2.646037|3.193233|0.099115|2.852763|0.046606|0.047521|0.049156|0.061789|0.064759|0.048182|0.047226|0.050707|0.126889|0.100749|0.097506|0.091462|0.073516|0.078329|0.088679|0.084265|0.500000| |1.483887|1.660707|1.839049|2.096567|2.097721|1.843467|1.662092|1.486210|18.002199|2.756128|3.272178|4.598052|3.336029|3.452808|0.117277|2.935631|2.446180|2.536339|5.432149|4.126284|6.821247|5.647417|8.935520|17.759219|8.898214|5.635855|4.952727|47.098793|8.077503|12.617475|7.685124|6.207162|4.201013|3.534461|3.462846|4.352456|0.128636|3.597386|0.039196|0.039574|0.041229|0.050159|0.050303|0.039621|0.039239|0.041345|0.100736|0.078227|0.083343|0.079318|0.061913|0.063855|0.068799|0.064000|0.215151|0.500000| |1.602613|1.785041|2.011340|2.272023|2.193828|1.907841|1.746262|1.545582|18.176491|2.957067|3.626256|5.007480|3.801173|3.286522|0.098795|2.934442|2.449578|2.350293|4.853711|4.086249|6.200142|5.641848|4.950783|5.639628|8.931549|17.771673|8.907148|47.103325|13.578798|8.358937|6.768716|3.813534|3.051108|3.002338|3.545024|4.919168|0.136482|5.733309|0.042936|0.041678|0.045113|0.055883|0.051002|0.040566|0.041721|0.042385|0.131106|0.093470|0.077221|0.087539|0.061349|0.068102|0.060446|0.060694|0.107518|0.124140|0.500000| |2.008025|2.311465|2.691036|3.190498|3.041600|2.520365|2.252657|1.929658|26.329029|4.648744|5.403351|8.692052|6.080581|4.397152|0.124858|3.605951|3.049171|2.965105|6.383762|6.943821|9.304269|8.901903|5.638105|4.949201|5.659516|8.937893|17.722410|27.759638|6.939408|5.812813|4.536040|2.913005|2.416392|2.406600|2.668410|3.377859|0.101753|3.604733|0.053372|0.051388|0.056317|0.073876|0.066175|0.049927|0.051738|0.052621|0.219852|0.143968|0.088946|0.106150|0.073156|0.087375|0.073070|0.077561|0.124108|0.107528|0.215191|0.500000| |1.233634|1.354573|1.470411|1.632206|1.639601|1.483299|1.359471|1.241564|13.540949|2.009959|2.467868|3.165766|2.309799|2.336434|0.073964|2.120856|1.836916|1.867144|3.782034|2.679806|4.601728|3.304797|4.045175|5.546534|5.419610|3.942822|3.278171|51.206470|8.610983|15.137938|12.437760|17.711342|8.892012|5.544478|4.943926|5.629985|0.145580|4.103961|0.032971|0.033032|0.034275|0.040270|0.040841|0.033196|0.033133|0.034661|0.069422|0.057142|0.060391|0.058699|0.047786|0.048730|0.051130|0.048148|0.103999|0.193231|0.100220|0.077678|0.500000| |1.299279|1.439910|1.559329|1.751198|1.787071|1.613600|1.460767|1.331927|15.090055|2.190639|2.639374|3.449767|2.419914|2.385710|0.074956|2.104863|1.844746|1.902502|3.908635|3.030889|5.359875|3.747761|4.615091|6.088684|5.716654|4.277902|3.653110|43.399099|7.750412|9.958836|12.291063|17.473882|8.863280|6.893063|5.853694|7.028481|0.215773|4.592096|0.034812|0.034699|0.035847|0.042260|0.044782|0.035371|0.035488|0.037426|0.072194|0.059566|0.058756|0.057909|0.047457|0.049398|0.051565|0.049606|0.118146|0.195007|0.105717|0.085762|0.300931|0.500000| |1.092918|1.187792|1.273671|1.394502|1.405969|1.292935|1.195484|1.105648|11.378927|1.660337|2.070517|2.540052|1.843629|1.829255|0.055935|1.695751|1.506322|1.519353|3.005999|2.097238|3.658028|2.464415|2.780392|3.404098|3.584883|2.978148|2.530204|33.791542|7.105740|8.499372|9.525524|8.919771|17.545982|8.838514|6.820989|5.669528|0.133072|4.173122|0.029469|0.029290|0.030327|0.034901|0.035792|0.029556|0.029738|0.030945|0.055023|0.046829|0.047830|0.047421|0.039581|0.040516|0.041537|0.039792|0.072408|0.104144|0.080981|0.062965|0.217234|0.174231|0.500000| |1.114822|1.217504|1.300446|1.431887|1.460373|1.345950|1.235772|1.144724|11.946544|1.712419|2.115119|2.605884|1.856946|1.856905|0.057048|1.695756|1.517495|1.557076|3.101229|2.185758|3.897935|2.532923|2.933396|3.513025|3.437080|2.840405|2.503350|28.749605|5.858341|7.333496|7.642181|8.924570|17.537187|8.800390|5.524651|4.849719|0.129394|3.531279|0.030012|0.029976|0.030769|0.035376|0.037525|0.030604|0.030641|0.032218|0.054592|0.046915|0.047845|0.046747|0.039758|0.040665|0.042756|0.040912|0.078713|0.110939|0.074685|0.061900|0.214888|0.215789|0.302066|0.500000| |1.068341|1.161879|1.233887|1.350509|1.379943|1.281613|1.181342|1.100642|11.173929|1.589991|1.978026|2.388265|1.690964|1.644871|0.049416|1.512089|1.368912|1.391165|2.745565|1.979182|3.538823|2.255943|2.459963|2.832051|2.961942|2.628697|2.318304|24.616793|5.544574|5.687612|6.694362|5.520206|8.809527|17.548254|8.842126|5.453234|0.139301|4.105991|0.029006|0.028610|0.029453|0.033554|0.035818|0.029280|0.029703|0.031018|0.049920|0.043378|0.042025|0.042201|0.035869|0.037237|0.037799|0.036960|0.064698|0.082510|0.072117|0.059061|0.123839|0.140293|0.214166|0.208452|0.500000| |1.170814|1.285871|1.369996|1.517656|1.564000|1.442599|1.314882|1.217800|12.925106|1.823354|2.232468|2.761194|1.917706|1.853358|0.056072|1.669269|1.506282|1.546415|3.097905|2.349287|4.259603|2.705053|2.996302|3.450230|3.522237|3.079168|2.736242|27.454476|5.894366|6.142849|7.737807|6.819880|8.869543|17.501036|8.855173|6.659761|0.198482|4.514787|0.031718|0.031296|0.032159|0.037016|0.040453|0.032261|0.032723|0.034433|0.056524|0.048650|0.046127|0.046288|0.039107|0.040955|0.041834|0.041096|0.078638|0.099970|0.081981|0.068560|0.140297|0.202570|0.173671|0.215617|0.303178|0.500000| |1.120464|1.217563|1.305854|1.428363|1.438304|1.322783|1.224306|1.131627|11.600104|1.694813|2.119006|2.585458|1.863726|1.783897|0.053504|1.652780|1.475721|1.472074|2.907940|2.122876|3.684527|2.491950|2.646504|3.138709|3.593388|3.239592|2.699983|33.087259|8.073268|6.959604|9.565074|5.765630|6.828322|8.856021|17.532872|8.909015|0.174553|7.102308|0.030427|0.029804|0.031100|0.035795|0.036571|0.030031|0.030668|0.031642|0.056323|0.047843|0.045693|0.046939|0.038566|0.040357|0.039633|0.038888|0.066903|0.087936|0.093413|0.068947|0.128853|0.133997|0.199714|0.139340|0.215700|0.173759|0.500000| |1.163119|1.270480|1.357016|1.492377|1.520162|1.401553|1.288376|1.192352|12.367074|1.774528|2.200231|2.685967|1.890034|1.781706|0.053044|1.627586|1.467631|1.477141|2.932513|2.232740|3.949246|2.581116|2.692314|3.076636|3.448468|3.231099|2.785245|28.050754|6.752652|5.813691|7.677065|4.949163|5.538288|8.848182|17.548406|8.911747|0.215640|7.172306|0.031699|0.030877|0.032102|0.036913|0.039006|0.031468|0.032338|0.033516|0.056674|0.048586|0.044515|0.045998|0.038128|0.040399|0.039547|0.039355|0.068312|0.084137|0.092007|0.071897|0.108656|0.131062|0.139502|0.123625|0.211222|0.216209|0.302541|0.500000| |1.278639|1.400841|1.513118|1.669236|1.678473|1.528887|1.406948|1.288517|13.642040|2.008019|2.494683|3.084098|2.188457|1.998863|0.058970|1.826167|1.631280|1.615705|3.219559|2.539705|4.360043|2.999618|2.958541|3.351363|4.095968|4.219185|3.491112|32.093720|8.715352|6.097584|7.511733|4.152322|3.907480|4.697890|7.282444|8.978390|0.215369|17.558501|0.034884|0.033627|0.035475|0.041386|0.042089|0.033821|0.035099|0.035954|0.067268|0.056419|0.049230|0.052525|0.042062|0.045394|0.042654|0.042980|0.072245|0.086213|0.130421|0.092243|0.096655|0.111339|0.102974|0.090245|0.112987|0.123576|0.181872|0.227944|0.500000| |1.392647|1.535196|1.684065|1.874494|1.859107|1.663904|1.527136|1.380350|15.255719|2.321733|2.866452|3.686660|2.662548|2.396110|0.071363|2.173593|1.896991|1.859345|3.753069|3.051550|5.041436|3.818694|3.683961|4.306848|5.938926|6.584746|4.809290|44.970398|13.340294|7.632188|8.855652|4.456998|3.761328|4.031574|5.517457|8.690242|0.213847|17.665363|0.037741|0.036470|0.038852|0.046320|0.045316|0.036227|0.037469|0.038264|0.084576|0.067596|0.058291|0.063240|0.048477|0.052722|0.048704|0.048922|0.085921|0.105155|0.226751|0.123680|0.107160|0.119467|0.099438|0.087486|0.094838|0.107046|0.142403|0.145951|0.303335|0.500000| 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