Version2.0 2020-02-28T02:03:47Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 24-Dec-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)N5CCCC5)O)C C04150015 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)N5CCCC5)O)C C01[X(C26H34Cl1N3O4S2)] 204 C1 620 C[C@H](C(=O)N1CCCC1)[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)N1CCCC1)[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)N5CCCC5 InChIKey=QUKVCORRKYQZQP-QXLMHGPXSA-N InChI=1S/C26H34ClN3O4S2/c1-15(24(32)30-12-4-5-13-30)19-10-11-26(3)14-20-22(16(2)21(26)23(19)31)28-25(35-20)29-36(33,34)18-8-6-17(27)7-9-18/h6-9,15-16,19,21,23,31H,4-5,10-14H2,1-3H3,(H,28,29)/t15-,16-,19+,21+,23-,26-/m0/s1 InChI=1/C26H34ClN3O4S2/c1-15(24(32)30-12-4-5-13-30)19-10-11-26(3)14-20-22(16(2)21(26)23(19)31)28-25(35-20)29-36(33,34)18-8-6-17(27)7-9-18/h6-9,15-16,19,21,23,31H,4-5,10-14H2,1-3H3,(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)N5CCCC5)O)C C01[X(C26H34Cl1N3O4S2)] 204 C01 620 C[C@H](C(=O)N1CCCC1)[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)N1CCCC1)[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)N5CCCC5 InChIKey=QUKVCORRKYQZQP-QXLMHGPXSA-N InChI=1S/C26H34ClN3O4S2/c1-15(24(32)30-12-4-5-13-30)19-10-11-26(3)14-20-22(16(2)21(26)23(19)31)28-25(35-20)29-36(33,34)18-8-6-17(27)7-9-18/h6-9,15-16,19,21,23,31H,4-5,10-14H2,1-3H3,(H,28,29)/t15-,16-,19+,21+,23-,26-/m0/s1 InChI=1/C26H34ClN3O4S2/c1-15(24(32)30-12-4-5-13-30)19-10-11-26(3)14-20-22(16(2)21(26)23(19)31)28-25(35-20)29-36(33,34)18-8-6-17(27)7-9-18/h6-9,15-16,19,21,23,31H,4-5,10-14H2,1-3H3,(H,28,29)/t15-,16-,19+,21+,23-,26-/m0/s1/f/h29H 4597.1735173076 -2721.6074802 1-A 29629.4027 146 474 620 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.84601 -92.22994 -91.98351 -20.57130 -20.56977 -20.56294 -20.51295 -15.63050 -15.58325 -15.56954 -11.35923 -11.33661 -11.33302 -11.29089 -11.28200 -11.28192 -11.28093 -11.27403 -11.27226 -11.27183 -11.26302 -11.25804 -11.25698 -11.24887 -11.24222 -11.23909 -11.23854 -11.23577 -11.23505 -11.23329 -11.22983 -11.22615 -11.22200 -11.21557 -11.21491 -11.19864 -10.57949 -9.20097 -8.99368 -8.04890 -8.04547 -8.04546 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 12218.3939 45774.3725 51300.8991 0.99995 -0.00903 0.00488 0.00913 0.99975 -0.02050 -0.00469 0.02054 0.99978 1 0.00709 0.00189 0.00169 0.14771 0.03943 0.03518 12.71 16.79 25.83 41.79 43.56 58.66 81.62 89.37 119.12 125.15 130.80 134.34 197.38 216.24 222.51 234.64 239.64 258.11 279.93 295.90 308.00 327.68 336.73 364.20 376.98 383.55 389.65 405.73 411.71 413.86 449.73 471.96 481.94 488.61 491.89 509.60 522.58 541.63 567.45 585.29 616.45 634.37 636.62 655.01 662.85 673.84 704.70 752.80 755.80 780.52 783.87 821.03 825.49 841.98 891.51 895.23 903.18 930.40 976.61 988.44 991.75 1006.03 1047.78 1079.15 1114.89 1135.01 1156.30 1164.89 1199.59 1216.29 1223.65 1238.91 1299.05 1325.35 1358.54 1359.87 1364.93 1374.08 1385.63 1389.35 1418.56 1424.88 1447.55 1450.91 1476.77 1494.81 1509.78 1534.08 1553.22 1564.24 1573.82 1582.20 1599.74 1604.07 1620.98 1628.30 1645.26 1672.97 1675.79 1691.20 1712.79 1724.35 1729.46 1742.79 1751.98 1756.77 1776.93 1806.66 1827.31 1835.40 1848.02 1852.73 1873.62 1878.65 1880.55 1880.82 1894.24 1906.55 1923.19 1945.51 1955.50 1980.27 2012.09 2016.30 2017.80 2033.36 2055.05 2065.19 2083.37 2086.47 2102.77 2104.82 2124.17 2128.94 2146.72 2150.05 2159.07 2172.32 2178.16 2183.66 2199.15 2204.05 2216.84 2229.52 2234.71 2243.07 2249.07 2255.13 2268.95 2296.61 2313.84 2352.04 2356.07 2363.46 2367.13 2371.15 2371.38 2377.92 2381.91 2386.77 2388.04 2389.24 2397.66 2406.90 2426.17 2508.12 2541.02 2576.11 2608.40 2741.15 4582.38 4589.62 4598.36 4603.25 4607.13 4609.40 4619.14 4620.56 4625.63 4631.27 4633.23 4633.80 4637.60 4642.38 4652.64 4662.55 4697.06 4700.42 4704.35 4711.27 4722.43 4723.26 4729.99 4739.35 4761.18 4764.84 4809.40 4833.51 4895.24 4900.53 4916.19 4928.04 5483.70 5900.19 0.624146 0.656560 0.657504 0.556502 -2720.983334 -2720.950920 -2720.949976 -2721.050978 3.387624D-04 MUNgauss RevisionA2.0 retrievium 28-Feb-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)N5CCCC5)O)C C04150015 RHF 6-31G(d) (6D,10F) C1 551.167928 |X|Y|Z| 150.558002 69.941464 45.495556 78.247267 28 6 7 16 23 3 2 |36.858105| |12.369094|36.858105| |8.892218|17.513721|0.500000| |7.716569|12.611091|0.250176|36.858105| |5.345168|7.554442|0.165901|14.262091|36.858105| |3.950834|4.746809|0.116376|7.512253|10.922860|388.023441| |4.646046|5.292290|0.134167|8.698865|7.890622|77.881297|36.858105| |6.461312|7.591726|0.189388|13.732377|8.275037|52.893852|14.997820|53.358707| |3.721189|3.957740|0.105449|5.424056|5.021353|48.920716|13.661315|11.216474|53.358707| |2.973505|3.056421|0.080551|3.912363|3.897142|38.816977|7.005743|6.842707|15.727256|388.023441| |2.606271|2.646939|0.071725|3.216612|3.122006|28.444142|5.045914|5.527129|10.674948|95.054882|73.516695| |2.733728|2.898279|0.075699|3.739744|4.027138|44.230954|6.216522|6.013682|10.500383|95.049340|13.545459|73.516695| |3.082364|2.984492|0.076566|3.678411|3.608291|32.584537|5.592431|6.179944|9.439010|76.557263|13.072027|13.092980|36.858105| |2.950160|2.752772|0.071727|3.224408|3.044525|25.380745|4.448652|5.395540|7.420753|49.594163|11.484630|8.831349|13.727914|36.858105| |2.823163|2.558437|0.066106|2.889813|2.737845|21.781406|3.613025|4.600852|5.506414|33.705834|7.852579|6.824952|7.959291|13.788189|36.858105| |2.813837|2.551323|0.064675|2.878478|2.801115|22.122930|3.456310|4.394676|4.961340|30.024390|6.597929|6.599100|6.946300|7.983069|13.751010|36.858105| |2.918259|2.724109|0.067974|3.175653|3.209221|26.305887|3.899100|4.768284|5.423871|33.672345|6.840436|7.878354|7.961649|6.848833|7.887269|13.773836|36.858105| |3.059250|2.962625|0.074139|3.637457|3.738129|33.532066|5.020532|5.672673|7.226194|49.522560|8.866137|11.579989|13.746393|7.892883|6.844401|7.979275|13.763583|36.858105| |2.491863|2.229142|0.056777|2.412942|2.350731|17.775304|2.692727|3.545370|3.757668|21.677710|4.962906|4.962803|4.252501|4.783126|7.057176|10.965606|7.059328|4.780729|448.794386| |4.544618|6.259346|0.141364|7.593310|12.719442|47.008779|4.883006|6.951779|4.923915|21.626898|4.501866|5.723975|2.893062|2.504623|2.323513|2.420342|2.757076|3.075304|16.939388|36.858105| |4.846238|7.274768|0.172096|6.698935|7.669527|32.889392|4.016846|6.170531|4.241288|18.445316|3.986566|4.723020|2.474851|2.220784|2.080625|2.135223|2.352218|2.560802|15.272787|12.340741|36.858105| |7.392912|12.232678|0.243422|7.537001|6.688086|29.556717|4.048300|6.770185|4.293411|18.415580|4.010398|4.538425|2.548546|2.340068|2.218799|2.266189|2.447459|2.613246|16.320260|7.554766|12.175984|36.858105| |7.340192|8.935691|0.176034|6.518377|6.149839|28.421888|3.823709|6.198418|4.102943|18.105018|3.914625|4.477191|2.586979|2.376423|2.293928|2.389128|2.596132|2.717430|17.396548|7.146604|8.908291|17.504503|0.500000| |5.732695|7.351333|0.197291|4.914053|4.405645|22.395233|3.145364|5.123702|3.536841|15.498453|3.475720|3.798151|2.144955|2.016570|1.932317|1.957645|2.070049|2.174697|14.419384|4.914379|7.534409|12.361050|0.247208|36.858105| |4.885665|6.557614|0.201903|4.673868|4.206974|21.915869|3.091678|4.999339|3.510251|15.259262|3.455062|3.745506|2.066234|1.941925|1.841000|1.845470|1.947289|2.068032|13.518316|4.606590|7.126878|8.926992|0.175498|17.529862|0.500000| |4.141383|4.807833|0.126168|3.743217|3.635530|19.421071|2.623106|4.065761|3.015611|13.659482|3.075635|3.403442|1.906330|1.791799|1.737423|1.782977|1.892211|1.963050|13.362393|4.340454|6.268895|7.408369|0.193814|12.345904|0.249761|36.858105| |3.601747|4.037836|0.111257|3.202260|3.073416|17.076742|2.343557|3.611548|2.749471|12.528004|2.857859|3.107807|1.743942|1.655423|1.608443|1.639898|1.722971|1.781091|12.379424|3.530046|4.801292|5.477119|0.141757|8.933503|0.221752|17.545441|0.500000| |3.496443|4.268278|0.112504|3.636782|3.780249|20.297241|2.617218|3.931104|2.999265|13.677046|3.065630|3.479781|1.876337|1.738026|1.670378|1.719043|1.849204|1.942264|12.785243|4.890505|7.387049|6.403758|0.162555|7.674925|0.201704|12.363352|0.247766|36.858105| |3.764863|4.821467|0.119903|4.406176|4.984141|25.290565|3.078699|4.549276|3.425323|15.563670|3.415913|4.027777|2.124098|1.927014|1.837593|1.907109|2.093197|2.228308|13.971540|7.620009|12.349638|7.518892|0.194999|6.558294|0.168023|7.456142|0.152885|12.437989|36.858105| |3.939495|4.152015|0.104088|3.365645|3.312592|18.200723|2.448639|3.740670|2.842538|13.152919|2.953211|3.279217|1.882413|1.777468|1.753522|1.827077|1.938105|1.970458|13.933057|3.917642|4.938511|5.896000|0.187681|7.225653|0.150498|12.286326|0.249130|7.450463|5.943292|36.858105| |4.178421|4.410366|0.105586|3.680072|3.722544|20.110201|2.648398|4.015714|3.034569|14.095230|3.124503|3.538526|2.034228|1.901132|1.878734|1.980769|2.128387|2.160916|15.046007|4.544865|5.471110|6.419454|0.232226|6.507383|0.136441|8.794953|0.175086|6.857939|6.629076|17.629569|0.500000| |4.069790|3.889787|0.098791|3.104629|2.934633|16.604465|2.317718|3.578024|2.735957|12.708855|2.880381|3.116109|1.848528|1.777668|1.776143|1.844797|1.920977|1.922772|14.280928|3.240066|3.855093|4.892037|0.155729|5.960642|0.127529|7.278402|0.186670|4.804263|4.137217|12.356861|0.248113|36.858105| |2.992697|3.144741|0.081291|2.696770|2.718720|15.634853|2.079320|3.095741|2.463205|11.611238|2.630912|2.920847|1.657134|1.568726|1.553464|1.621872|1.717540|1.738117|12.511139|3.213759|3.858971|4.121682|0.124712|4.843239|0.114595|7.609830|0.200645|6.363696|4.905795|12.449519|0.246006|7.790028|36.858105| |2.695020|2.844096|0.075780|2.442157|2.438851|14.254033|1.914999|2.847709|2.293536|10.810441|2.473622|2.712687|1.530278|1.456705|1.438464|1.489037|1.565726|1.589260|11.496277|2.826671|3.416932|3.603371|0.103725|4.422830|0.110553|6.733210|0.213017|5.790035|4.225756|8.005320|0.163843|6.252422|15.784744|73.516695| |2.684721|2.783061|0.071120|2.480768|2.555548|15.045639|1.971747|2.883023|2.350680|11.261226|2.545436|2.856139|1.620908|1.530194|1.525799|1.610485|1.714819|1.720899|12.535624|3.030588|3.421974|3.525660|0.109472|3.801106|0.091914|5.214437|0.133883|4.948311|4.340291|7.678253|0.205431|5.814846|14.091791|15.206858|53.358707| |2.230315|2.301789|0.059937|2.091192|2.155864|13.077976|1.718628|2.484344|2.081084|10.079264|2.299201|2.562479|1.447180|1.372819|1.371840|1.444821|1.530433|1.531653|11.336557|2.506226|2.770978|2.796945|0.084178|3.015416|0.075900|3.914343|0.106788|3.870659|3.417042|4.969552|0.131108|4.256926|7.832581|12.525873|17.726009|36.858105| |2.083393|2.116136|0.054638|1.962929|2.038326|12.607612|1.650036|2.359372|2.011085|9.871705|2.249163|2.518318|1.432595|1.359535|1.369753|1.456611|1.545829|1.531004|11.555233|2.342989|2.487434|2.506849|0.076599|2.595408|0.065345|3.175437|0.084697|3.151816|2.973892|3.989545|0.112697|3.611850|5.259002|8.178683|11.045013|12.471576|36.858105| |2.281442|2.330873|0.059070|2.191688|2.318274|14.254939|1.832618|2.605892|2.211762|10.878410|2.451246|2.795599|1.586011|1.490197|1.500974|1.612166|1.733339|1.716555|12.723561|2.717433|2.812888|2.794566|0.087541|2.778723|0.069078|3.358537|0.085679|3.408045|3.404766|4.280649|0.131114|3.712395|5.183992|7.470896|11.044553|7.957635|12.454883|36.858105| |2.771618|2.833101|0.070627|2.590856|2.716320|16.088746|2.079120|3.009566|2.468894|11.944225|2.673760|3.046502|1.742425|1.634624|1.640850|1.757455|1.890658|1.880894|13.734381|3.237418|3.453785|3.540090|0.115053|3.533667|0.084643|4.441727|0.108647|4.309935|4.264162|6.370010|0.209474|5.148578|7.537807|9.386015|17.749960|7.836249|7.932748|12.442763|36.858105| |6.472814|6.714344|0.188626|4.398650|3.741915|20.074588|2.963045|4.910035|3.416377|15.015180|3.411137|3.602638|2.113735|2.031239|1.966863|1.976627|2.048164|2.121201|14.713102|3.857133|5.050683|7.875293|0.191706|13.545003|0.262524|7.756525|0.197718|5.071912|4.478484|6.165739|0.150737|6.509963|4.292683|7.139347|4.663102|2.781808|2.431658|2.551959|3.201131|73.516695| |4.079442|6.039154|0.170464|5.847685|6.301451|30.974899|3.902584|5.909432|4.232607|18.115850|3.994567|4.636436|2.336959|2.107569|1.944144|1.955829|2.130294|2.351258|13.922888|7.611377|12.337550|7.340385|0.151554|6.122117|0.198536|5.024894|0.118962|6.041092|7.565984|3.825871|0.109618|3.154042|3.198739|5.328765|3.852713|2.399164|2.147754|2.356365|2.772676|7.839478|36.858105| |17.519938|8.779146|0.173620|6.991796|5.388451|28.715141|4.534240|7.962519|4.940314|21.407279|4.608022|4.976408|3.248102|3.079869|3.014647|3.101111|3.260744|3.343508|22.160461|4.682698|4.674254|6.744874|0.218549|5.049616|0.116938|3.968785|0.094430|3.401287|3.765033|4.031240|0.124539|4.173836|3.062558|4.791076|3.834320|2.318940|2.202302|2.455275|3.006094|9.616852|3.742265|0.500000| |17.677850|8.747970|0.212500|5.566751|4.246580|23.154693|3.704244|6.564290|4.230002|18.197525|4.084698|4.212292|2.651747|2.587066|2.517218|2.507890|2.559759|2.633344|18.367074|3.882425|4.370522|6.716311|0.185688|6.215085|0.143063|4.443425|0.110023|3.536946|3.596862|4.254691|0.119935|4.692701|3.183016|5.143607|3.801140|2.316332|2.139511|2.302741|2.818250|14.962466|3.752632|0.300853|0.500000| |17.591609|8.803273|0.214149|7.139219|4.875126|27.935103|5.056594|9.986708|5.700605|23.194322|5.134274|5.137471|3.393963|3.324052|3.137213|3.030067|3.072096|3.247121|21.130699|3.940775|4.028771|5.427510|0.146064|4.474596|0.113077|3.390940|0.084556|2.963721|3.181827|3.222415|0.093867|3.347609|2.559837|4.170572|3.171790|1.980120|1.867370|2.030348|2.405227|8.929732|3.614303|0.302010|0.300960|0.500000| |3.786366|3.904282|0.107205|5.025928|4.364405|37.384541|9.486039|10.658347|25.903039|60.361429|13.413216|10.140186|6.090824|5.466970|4.059774|3.514379|3.650511|4.574911|21.719766|3.251266|2.922750|3.044537|0.080275|2.565552|0.071061|2.167413|0.055404|2.123687|2.374679|2.037205|0.059751|1.988406|1.763263|2.936602|2.275761|1.483745|1.429311|1.558549|1.741995|4.502287|2.946565|0.099926|0.088743|0.123261|0.500000| |2.815822|2.644322|0.070422|3.058004|2.841741|23.428190|4.215800|5.198341|7.401396|47.334657|13.120312|8.140972|8.903944|17.751748|8.931130|5.665166|4.942418|5.629817|31.648220|2.343952|2.116098|2.231253|0.062059|1.949361|0.052670|1.724176|0.044573|1.670614|1.834067|1.694051|0.049838|1.698450|1.499094|2.493144|1.978601|1.309353|1.289994|1.402971|1.537309|3.510621|2.045478|0.079541|0.069329|0.089336|0.163171|0.500000| |2.631013|2.359504|0.061729|2.594315|2.432577|18.869943|3.122218|4.087780|4.732713|27.822027|6.859773|5.723445|5.650628|8.911902|17.758133|8.915874|5.630777|4.940427|53.945897|2.096066|1.913487|2.054817|0.058841|1.821147|0.048303|1.642037|0.042557|1.568824|1.703750|1.659483|0.048974|1.698255|1.477100|2.444566|1.971467|1.309038|1.306843|1.420427|1.548192|3.333280|1.799519|0.077135|0.066414|0.081544|0.099824|0.214505|0.500000| |2.770981|2.601276|0.064485|2.985293|3.088041|24.707602|3.461867|4.300324|4.641539|27.792718|5.740823|6.890011|5.652834|4.942719|5.630008|8.923891|17.758059|8.906696|53.949531|2.743772|2.329014|2.404667|0.071894|2.038443|0.052936|1.892918|0.047758|1.857527|2.110104|1.965120|0.060437|1.940696|1.753507|2.825807|2.411047|1.582665|1.614998|1.826845|1.978798|3.563335|2.081939|0.087210|0.068235|0.078980|0.086652|0.107402|0.124125|0.500000| |2.991592|3.001762|0.074654|3.768979|4.098749|39.261435|5.198317|5.664625|7.074383|47.233360|8.193492|13.353813|8.916165|5.631130|4.941082|5.663835|8.917659|17.765310|31.632429|3.389973|2.728689|2.704372|0.078084|2.224784|0.058888|2.023245|0.050689|2.034915|2.376340|2.024435|0.062124|1.941943|1.791569|2.902985|2.425352|1.583922|1.584173|1.790998|1.957270|3.784659|2.495059|0.090803|0.071449|0.086050|0.119275|0.124040|0.107379|0.214236|0.500000| |4.405216|5.458450|0.121034|6.203252|8.928218|40.562175|4.329905|6.096303|4.513327|20.611477|4.282850|5.463910|2.874219|2.493900|2.361388|2.517053|2.900803|3.157407|17.835807|17.513029|8.772599|6.760316|0.210178|4.569447|0.113526|4.272738|0.095707|4.689093|7.191242|4.163838|0.142077|3.426490|3.412738|5.185680|4.515333|2.698655|2.567422|3.070982|3.711028|6.579659|5.523797|0.134469|0.105678|0.104824|0.083076|0.063923|0.059029|0.082041|0.097113|0.500000| |3.637315|4.752978|0.115749|5.727541|8.900647|45.226206|4.401592|5.896495|4.628653|20.888710|4.377301|5.716935|2.726898|2.346473|2.166003|2.252940|2.576295|2.897199|15.802517|17.540204|8.795094|5.487385|0.143572|4.069642|0.110616|3.775145|0.088095|4.484785|6.851070|3.404317|0.107061|2.821669|2.936719|4.674082|3.831576|2.387150|2.242078|2.592607|2.987898|5.786116|7.167699|0.102989|0.088803|0.090901|0.084127|0.061303|0.054359|0.071532|0.090238|0.303738|0.500000| |3.255885|4.039961|0.112102|3.477964|3.571087|19.590265|2.553239|3.828742|2.952825|13.386292|3.027642|3.401363|1.808504|1.679197|1.602005|1.632366|1.747425|1.849058|12.091920|4.432591|6.620971|5.597273|0.133702|6.935421|0.217392|8.859914|0.223434|17.549146|8.837239|5.492488|0.138930|4.016637|4.951244|8.754489|5.408438|3.319166|2.738485|2.891036|3.481042|8.438594|6.615966|0.085722|0.091561|0.078436|0.058382|0.045211|0.041918|0.048401|0.053719|0.112643|0.116966|0.500000| |2.985034|3.474971|0.091672|3.062633|3.220115|18.060308|2.315842|3.414286|2.699468|12.540879|2.825407|3.208446|1.731517|1.608937|1.557336|1.611130|1.731461|1.803184|12.110264|4.099520|5.436224|4.816551|0.130594|5.536280|0.145586|8.771392|0.210125|17.578755|8.840497|7.014715|0.177476|4.544908|7.441941|12.295969|7.997875|4.644731|3.608055|3.843635|4.783629|7.367566|4.639331|0.082219|0.084294|0.071556|0.053061|0.042910|0.040752|0.048684|0.052529|0.113616|0.108349|0.306625|0.500000| |3.728403|4.489881|0.107738|4.176828|4.782407|24.800552|2.992028|4.373212|3.342515|15.461815|3.372103|4.013929|2.156565|1.953881|1.884774|1.984784|2.193658|2.304656|14.659652|7.276320|8.843405|6.751545|0.206750|5.669374|0.136278|6.684381|0.137721|8.855705|17.522254|6.493523|0.230352|4.414185|5.352025|7.664713|6.855702|3.793442|3.370792|4.060292|5.321116|7.443186|5.528411|0.108400|0.098673|0.087007|0.064087|0.051147|0.048415|0.062259|0.068473|0.229936|0.176793|0.173855|0.215803|0.500000| |3.184196|4.001414|0.102636|3.891084|4.560666|24.650504|2.913174|4.168837|3.287813|15.134233|3.331746|3.983427|2.037174|1.837517|1.744024|1.808715|1.994334|2.137734|13.231535|6.880514|8.825580|5.478047|0.142281|4.915238|0.134958|5.462703|0.124092|8.846183|17.518333|4.573656|0.138031|3.387432|4.143397|6.603148|5.222132|3.183096|2.808310|3.203789|3.785316|6.437525|7.143147|0.088412|0.084046|0.077279|0.062865|0.048689|0.044885|0.055958|0.063962|0.175535|0.202975|0.215622|0.213448|0.304903|0.500000| |3.642971|3.514900|0.093030|2.812370|2.637015|15.176868|2.141035|3.301861|2.559049|11.884208|2.723051|2.904213|1.714416|1.660383|1.654718|1.701773|1.757297|1.764003|13.199088|2.870674|3.444644|4.256868|0.126279|5.531991|0.125407|6.715945|0.201308|4.464630|3.676267|8.762478|0.174131|17.571114|6.989137|11.755123|6.901383|4.017051|3.331862|3.272535|4.251404|11.370068|2.962152|0.100005|0.118662|0.085585|0.052062|0.044449|0.044252|0.049034|0.049323|0.082234|0.070732|0.108755|0.118700|0.104552|0.085801|0.500000| |5.092600|4.545335|0.112996|3.491770|3.192696|17.857880|2.548917|4.017069|2.989469|13.745598|3.104697|3.331529|2.015768|1.947150|1.948222|2.017703|2.090228|2.088759|15.543553|3.409096|4.004890|5.489497|0.179571|6.393632|0.132545|6.463932|0.159735|4.383828|4.004301|8.722482|0.215348|17.661075|5.585580|8.350444|6.197572|3.486859|3.096452|3.265336|4.376301|14.004499|3.249368|0.145810|0.172163|0.112368|0.060688|0.051599|0.051718|0.058250|0.058109|0.099796|0.080710|0.104251|0.110473|0.117636|0.090734|0.301258|0.500000| |3.540510|3.323067|0.084082|2.772207|2.665190|15.478682|2.146431|3.256938|2.561458|12.094197|2.744840|2.975056|1.779205|1.716455|1.733832|1.817999|1.889959|1.867334|14.291597|2.933076|3.331075|4.016719|0.129955|4.511838|0.101741|5.387051|0.140486|4.034306|3.619462|8.784859|0.212244|17.533907|7.318887|10.236077|8.589136|4.658102|4.097076|4.157430|5.813970|8.537458|2.748565|0.104122|0.110208|0.083081|0.051573|0.045357|0.046164|0.053554|0.052329|0.087967|0.071994|0.094665|0.110878|0.110617|0.084834|0.302331|0.301410|0.500000| |2.112656|2.221489|0.058313|2.038324|2.121740|12.932723|1.685006|2.421333|2.042402|9.894405|2.259943|2.529982|1.407275|1.329765|1.320964|1.386753|1.473625|1.485756|10.815226|2.489864|2.762159|2.701502|0.079646|2.909651|0.074867|3.778717|0.103929|3.974941|3.479300|4.442827|0.117513|3.682946|6.680702|11.658853|12.332978|17.548466|8.752443|6.617612|6.210751|4.675858|2.433837|0.060474|0.060454|0.052395|0.040356|0.035315|0.034966|0.042246|0.042885|0.073608|0.067012|0.096286|0.138314|0.105140|0.092764|0.098183|0.085941|0.106813|0.500000| |2.155889|2.201325|0.057969|1.979999|2.010711|12.247233|1.632881|2.372588|1.989514|9.620498|2.208723|2.429452|1.381427|1.319989|1.321093|1.383829|1.453450|1.451862|10.899596|2.294023|2.558259|2.634998|0.078359|2.913497|0.073816|3.746349|0.106612|3.558056|3.065336|4.670653|0.117422|4.288234|7.244979|13.398704|12.360373|17.640130|8.679996|5.722588|5.877831|4.906656|2.255281|0.061679|0.063041|0.053420|0.039654|0.035120|0.035201|0.041553|0.041438|0.067675|0.060490|0.086948|0.115607|0.091847|0.079001|0.118067|0.096344|0.131334|0.302834|0.500000| |1.872471|1.910805|0.049722|1.793137|1.869578|11.736202|1.532374|2.174458|1.881079|9.290811|2.125493|2.378912|1.343352|1.275223|1.283648|1.363115|1.445847|1.433676|10.829419|2.136985|2.248167|2.231983|0.067181|2.302090|0.058946|2.765905|0.074598|2.807609|2.667497|3.308965|0.093057|3.013897|4.216326|6.928218|7.896688|8.715338|17.584065|8.679658|5.658960|3.834722|1.978308|0.054668|0.053153|0.047103|0.037121|0.033679|0.034068|0.041976|0.041270|0.064465|0.057609|0.069272|0.089291|0.082512|0.071576|0.078839|0.073301|0.092598|0.218662|0.192936|0.500000| |2.065302|2.057438|0.053156|1.898755|1.947668|12.100674|1.603802|2.301186|1.964472|9.662631|2.208476|2.448628|1.413140|1.350642|1.369846|1.457863|1.535715|1.508611|11.675377|2.197881|2.325630|2.399567|0.073675|2.492556|0.062456|2.988883|0.080413|2.863002|2.700774|3.800342|0.106397|3.669280|4.802920|7.562758|9.228558|8.835479|17.541249|8.825979|6.825779|4.258372|2.014167|0.060856|0.059394|0.051581|0.038953|0.035601|0.036459|0.044580|0.043055|0.066800|0.057923|0.069721|0.088449|0.084316|0.070105|0.094466|0.087621|0.120407|0.174296|0.220454|0.301767|0.500000| |2.188183|2.281024|0.058017|2.177044|2.341884|14.490349|1.833518|2.583543|2.211089|10.898972|2.452170|2.827404|1.574335|1.468869|1.469670|1.576342|1.706767|1.705282|12.339800|2.790724|2.862154|2.741574|0.084494|2.697676|0.068109|3.250921|0.082679|3.473119|3.544249|3.926427|0.120386|3.295724|4.694040|6.981372|9.213622|6.853066|8.831796|17.546097|8.839555|4.316633|2.415924|0.064960|0.060696|0.054353|0.043060|0.038441|0.038507|0.049964|0.049845|0.087371|0.075528|0.082346|0.110853|0.117417|0.095682|0.081865|0.081745|0.098316|0.185407|0.138194|0.216856|0.174038|0.500000| |2.204282|2.216848|0.055969|2.110926|2.232377|13.954468|1.797411|2.538926|2.182553|10.845077|2.442262|2.787978|1.598357|1.504383|1.527398|1.654820|1.780283|1.743834|13.197923|2.569264|2.589408|2.594524|0.081776|2.531361|0.063037|2.946501|0.075210|2.951329|3.022039|3.690497|0.114517|3.356946|4.169297|6.166999|7.907283|5.665353|8.657265|17.582972|8.720996|4.202739|2.177878|0.066652|0.061438|0.054942|0.042675|0.039168|0.040156|0.052607|0.050463|0.081325|0.068067|0.070669|0.089538|0.099520|0.079313|0.082131|0.084505|0.105667|0.135103|0.126287|0.196021|0.216168|0.301779|0.500000| |2.922567|2.880554|0.071260|2.611051|2.685864|15.961350|2.099160|3.059123|2.500221|12.114320|2.712936|3.060995|1.792302|1.694047|1.716994|1.847544|1.974033|1.939082|14.589390|3.102366|3.270806|3.513912|0.117011|3.485697|0.082283|4.192536|0.103174|3.824775|3.804189|6.195342|0.205316|5.705515|6.508089|8.400213|12.274825|6.169789|6.582881|8.772381|17.531588|5.846993|2.627131|0.089667|0.083329|0.070251|0.049224|0.044122|0.045122|0.057522|0.055521|0.099109|0.078168|0.087509|0.112263|0.128826|0.092631|0.125955|0.136849|0.196237|0.134916|0.144504|0.134780|0.183941|0.174871|0.220369|0.500000| |3.004892|3.150184|0.077163|2.919860|3.139370|18.240723|2.304658|3.324199|2.697410|12.991473|2.877598|3.340156|1.887021|1.748913|1.743189|1.872842|2.041966|2.050892|14.436075|3.894810|4.087574|4.050169|0.134572|3.848027|0.091591|4.769659|0.111157|4.874689|5.229869|6.509659|0.242759|4.878909|6.696051|8.502145|12.250174|5.881649|5.733104|8.755461|17.602253|5.959651|3.149004|0.091328|0.082997|0.071793|0.052401|0.045493|0.045308|0.059452|0.059909|0.128619|0.099140|0.106334|0.146980|0.199004|0.127045|0.110700|0.120611|0.142226|0.145881|0.128644|0.126805|0.138041|0.223575|0.194840|0.301701|0.500000| |4.978706|5.122374|0.150100|3.656261|3.196985|17.769770|2.610772|4.227000|3.074782|13.683236|3.145760|3.290682|1.919566|1.857049|1.803634|1.807369|1.861449|1.920380|13.578445|3.323025|4.283453|5.871241|0.146478|9.850794|0.234661|7.331914|0.219173|4.809546|4.011661|5.767463|0.133518|6.305768|4.296682|7.521852|4.575578|2.787569|2.401391|2.460919|3.041073|35.739822|3.936722|0.119457|0.173788|0.115010|0.063578|0.050450|0.048106|0.050698|0.053492|0.088729|0.080332|0.129347|0.112581|0.103606|0.092645|0.194067|0.193546|0.129857|0.073416|0.078352|0.059425|0.065914|0.064975|0.062988|0.086213|0.086505|0.500000| |4.379196|6.756416|0.205721|6.998997|6.948840|34.629151|4.606592|7.158430|4.905284|20.153400|4.443225|5.080358|2.538196|2.284564|2.074473|2.057655|2.231940|2.500580|14.444001|6.811085|8.675062|6.704899|0.139073|5.449366|0.176292|4.233629|0.103214|4.630591|5.474310|3.359458|0.096187|2.908709|2.806134|4.700999|3.411758|2.148500|1.950012|2.128839|2.480872|7.588372|17.606344|0.108071|0.108946|0.111390|0.095363|0.062105|0.053233|0.059711|0.073222|0.138188|0.174569|0.138154|0.103410|0.122937|0.143327|0.076366|0.085215|0.070836|0.060013|0.056636|0.050061|0.051379|0.060121|0.055397|0.066528|0.077230|0.105114|0.500000| |3.776788|5.288521|0.158808|4.701629|4.735905|24.991884|3.294482|5.031989|3.709118|16.097018|3.621198|4.072701|2.096444|1.923904|1.789916|1.793521|1.927074|2.097580|12.936375|5.489575|8.651252|6.521571|0.136179|6.649604|0.248968|5.544211|0.137157|6.720220|6.898071|3.942607|0.107649|3.244914|3.342498|5.738307|3.915052|2.456648|2.156857|2.317642|2.724786|8.347062|17.612443|0.094833|0.100973|0.093109|0.073202|0.052246|0.046497|0.052382|0.061100|0.122690|0.144813|0.235471|0.139902|0.139195|0.179204|0.086918|0.091325|0.077495|0.069639|0.064903|0.055240|0.056195|0.065745|0.058957|0.071461|0.084169|0.120819|0.303224|0.500000| 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