Version2.0 2020-01-17T07:03:04Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 14-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccc(c1)Cn2c(c(c(n2)C)NC(=S)Nc3ccc(cc3)S(=O)(=O)N4[C@@H](CCC[C@@H]4C)C)C C39974388 RHF 6-31G(d) (6D,7F) Cc1cccc(c1)Cn2c(c(c(n2)C)NC(=S)Nc3ccc(cc3)S(=O)(=O)N4[C@@H](CCC[C@@H]4C)C)C C01[X(C27H35N5O2S2)] 207 C1 618 S=C(Nc1c(C)nn(c1C)Cc1cccc(c1)C)Nc1ccc(cc1)S(=O)(=O)N1[C@H](C)CCC[C@@H]1C S=C(Nc1c(C)nn(c1C)Cc1cccc(c1)C)Nc1ccc(cc1)S(=O)(=O)N1[C@H](C)CCC[C@@H]1C C[C@@H]1CCC[C@H](C)N1[S](=O)(=O)c2ccc(NC(=S)Nc3c(C)nn(Cc4cccc(C)c4)c3C)cc2 InChIKey=HGWUZYRQHWPELL-BGYRXZFFSA-N InChI=1S/C27H35N5O2S2/c1-18-8-6-11-23(16-18)17-31-22(5)26(21(4)30-31)29-27(35)28-24-12-14-25(15-13-24)36(33,34)32-19(2)9-7-10-20(32)3/h6,8,11-16,19-20H,7,9-10,17H2,1-5H3,(H2,28,29,35)/t19-,20+ InChI=1/C27H35N5O2S2/c1-18-8-6-11-23(16-18)17-31-22(5)26(21(4)30-31)29-27(35)28-24-12-14-25(15-13-24)36(33,34)32-19(2)9-7-10-20(32)3/h6,8,11-16,19-20H,7,9-10,17H2,1-5H3,(H2,28,29,35)/t19-,20+/f/h28-29H Cc1cccc(c1)Cn2c(c(c(n2)C)NC(=S)Nc3ccc(cc3)S(=O)(=O)N4[C@@H](CCC[C@@H]4C)C)C C01[X(C27H35N5O2S2)] 207 C01 618 S=C(Nc1c(C)nn(c1C)Cc1cccc(c1)C)Nc1ccc(cc1)S(=O)(=O)N1[C@H](C)CCC[C@@H]1C S[C@H](N[C@@H]1[C@@H](C)NN([C@H]1C)Cc1cccc(c1)C)Nc1ccc(cc1)[S@](=O)(N1[C@H](C)CCC[C@@H]1C)O C[C@H]1NN(Cc2cccc(C)c2)[C@@H](C)[C@@H]1N[C@@H](S)Nc3ccc(cc3)[S](O)(=O)N4[C@H](C)CCC[C@@H]4C InChIKey=REVSLVXVZBYVQP-VZFFRPKESA-N InChI=1S/C27H42N5O2S2/c1-18-8-6-11-23(16-18)17-31-22(5)26(21(4)30-31)29-27(35)28-24-12-14-25(15-13-24)36(33,34)32-19(2)9-7-10-20(32)3/h6,8,11-16,19-22,26-30,35H,7,9-10,17H2,1-5H3,(H,33,34)/t19-,20+,21-,22+,26-,27+/m1/s1 InChI=1/C27H42N5O2S2/c1-18-8-6-11-23(16-18)17-31-22(5)26(21(4)30-31)29-27(35)28-24-12-14-25(15-13-24)36(33,34)32-19(2)9-7-10-20(32)3/h6,8,11-16,19-22,26-30,35H,7,9-10,17H2,1-5H3,(H,33,34)/t19-,20+,21-,22+,26-,27+/m1/s1/f/h33H 4071.3754236901 -2259.7343442 1-A 40409.4065 140 478 618 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.19965 -91.87351 -20.54202 -20.53997 -15.63551 -15.62648 -15.61982 -15.59110 -15.57333 -11.38500 -11.30506 -11.27949 -11.27842 -11.27492 -11.27354 -11.26711 -11.25899 -11.25860 -11.25323 -11.25189 -11.24797 -11.24688 -11.24513 -11.24499 -11.23887 -11.23499 -11.23315 -11.23059 -11.22851 -11.22764 -11.22079 -11.21920 -11.21816 -11.21694 -11.21574 -11.20821 -9.17085 -8.88502 -6.85732 -6.85685 -6.85573 -6.56855 -6.56545 -6.56445 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0.17484 0.18728 0.21278 0.22631 0.22675 0.23377 0.24191 0.24515 0.25220 0.25419 0.25762 0.26323 0.26789 0.27403 0.27838 0.28183 0.28572 0.28681 0.29216 0.29926 0.30094 0.30261 0.30526 0.31120 0.31388 0.31469 0.31556 0.32232 0.32377 0.32991 0.33042 0.33754 0.33865 0.34281 0.34665 0.34923 0.35547 0.35636 0.35896 0.36173 0.36459 0.37645 0.37969 0.38701 0.39167 0.39282 0.39946 0.40696 0.40910 0.41616 0.42502 0.43388 0.43458 0.43642 0.44186 0.44661 0.45542 0.46423 0.46801 0.47230 0.47687 0.48245 0.48524 0.49003 0.49652 0.50850 0.51297 0.51569 0.52467 0.53639 0.55677 0.56528 0.57055 0.57680 0.58562 0.60102 0.60452 0.61647 0.62503 0.65288 0.66160 0.67391 0.69381 0.69746 0.70354 0.70708 0.71100 0.71710 0.72408 0.73553 0.73684 0.74393 0.74884 0.75127 0.75378 0.75888 0.76456 0.76795 0.77144 0.77637 0.78020 0.78453 0.78972 0.79735 0.79993 0.80787 0.81020 0.81420 0.81552 0.82061 0.82618 0.83763 0.83787 0.84101 0.84523 0.84897 0.85537 0.85865 0.86441 0.86772 0.87377 0.87852 0.88168 0.89144 0.89362 0.90737 0.91224 0.91673 0.91728 0.92649 0.93575 0.93895 0.94290 0.95804 0.96016 0.96424 0.96790 0.97070 0.97182 0.97898 0.98542 0.99288 0.99302 0.99893 1.01164 1.01695 1.01732 1.01925 1.02453 1.03715 1.05174 1.05924 1.06338 1.06613 1.07552 1.08035 1.08244 1.08746 1.08928 1.09151 1.09807 1.10293 1.10643 1.10943 1.11349 1.12270 1.12879 1.13131 1.13493 1.14001 1.14486 1.14977 1.15439 1.15652 1.15799 1.15836 1.16106 1.16335 1.16613 1.16930 1.16934 1.17514 1.17620 1.18241 1.18533 1.18627 1.19080 1.19344 1.19782 1.20300 1.20557 1.21003 1.21539 1.22025 1.22369 1.22479 1.23436 1.24079 1.24138 1.24577 1.24909 1.25363 1.25493 1.25922 1.26772 1.27705 1.27861 1.28946 1.29160 1.29531 1.30159 1.31231 1.31864 1.32272 1.33083 1.34224 1.34595 1.35422 1.36620 1.37670 1.39496 1.40098 1.40595 1.41983 1.42212 1.42710 1.43234 1.43915 1.44967 1.45268 1.46403 1.46953 1.47203 1.48362 1.48749 1.51052 1.51856 1.52096 1.52896 1.54175 1.55483 1.56528 1.58508 1.59782 1.60465 1.61176 1.62130 1.62950 1.64232 1.64717 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12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 6432.2651 68959.0065 70793.4176 1.00000 0.00145 0.00003 -0.00145 0.99940 0.03461 0.00002 -0.03461 0.99940 1 0.01347 0.00126 0.00122 0.28058 0.02617 0.02549 11.56 14.64 25.56 29.63 40.15 42.62 45.69 56.38 63.87 73.27 83.33 118.39 128.34 147.98 173.60 191.79 221.82 225.08 242.96 269.97 279.41 298.16 303.39 327.27 337.72 348.12 361.23 388.13 408.30 413.26 420.55 444.71 451.82 472.35 479.94 481.78 504.79 525.75 558.89 566.36 572.34 613.95 631.51 633.44 642.02 659.22 681.58 696.18 751.18 776.41 798.01 804.63 813.96 837.94 845.66 879.20 885.37 912.14 928.79 946.82 972.80 995.21 1019.41 1042.15 1048.39 1080.15 1085.19 1106.55 1126.03 1163.33 1177.60 1192.53 1244.49 1273.02 1281.68 1299.38 1339.42 1348.94 1369.36 1373.52 1376.81 1416.07 1444.33 1474.98 1480.76 1503.78 1507.52 1517.51 1538.90 1542.19 1554.48 1570.87 1586.94 1592.94 1599.67 1603.10 1606.20 1612.59 1631.23 1654.35 1685.10 1688.56 1689.00 1726.29 1733.36 1734.32 1753.92 1772.01 1776.17 1785.59 1790.13 1816.67 1853.13 1855.17 1869.45 1879.29 1882.46 1895.66 1899.34 1916.12 1938.28 1966.96 1973.47 2002.89 2003.53 2028.60 2064.89 2073.71 2102.71 2106.03 2109.83 2118.43 2140.80 2177.08 2188.38 2191.25 2202.10 2216.29 2231.53 2248.13 2251.17 2251.71 2254.64 2257.73 2261.01 2303.05 2303.71 2331.45 2340.17 2342.84 2345.43 2348.25 2352.32 2353.12 2354.95 2357.90 2363.98 2365.42 2372.64 2379.38 2389.56 2395.93 2399.31 2418.12 2433.75 2461.36 2487.71 2576.74 2577.89 2579.68 2603.34 2612.98 4575.54 4608.74 4612.07 4615.27 4617.74 4619.98 4629.21 4630.82 4637.74 4652.00 4659.87 4683.08 4683.72 4684.16 4695.06 4713.12 4717.00 4719.37 4721.87 4731.60 4757.90 4761.84 4766.05 4789.63 4800.84 4825.18 4836.21 4847.11 4851.19 4876.93 4907.99 4923.73 4945.53 5498.65 5524.23 0.636336 0.670373 0.671317 0.563736 -2259.098008 -2259.063971 -2259.063027 -2259.170608 3.608284D-04 MUNgauss RevisionA2.0 retrievium 17-Jan-2020 DUDE Cc1cccc(c1)Cn2c(c(c(n2)C)NC(=S)Nc3ccc(cc3)S(=O)(=O)N4[C@@H](CCC[C@@H]4C)C)C C39974388 RHF 6-31G(d) (6D,10F) C1 525.223219 |X|Y|Z| 50.399023 38.840397 190.684930 72.001363 28 6 7 16 22 5 1 |36.858105| |12.604655|36.858105| |7.537919|13.762608|36.858105| |5.006655|7.905960|13.706254|36.858105| |4.423606|6.815227|7.921691|13.809057|36.858105| |5.006768|7.850279|6.858399|7.941971|13.672713|36.858105| |7.558129|13.657101|7.986235|6.921787|7.955932|13.767254|36.858105| |3.784897|4.996226|4.435351|5.020588|7.530736|12.551013|7.570038|36.858105| |3.120749|3.954594|3.748596|4.395690|6.333613|7.650931|5.241720|13.153545|53.358707| |2.938489|3.587609|3.392119|3.832675|5.009288|5.776281|4.530819|7.586358|19.361719|36.858105| |2.470340|2.948613|2.900510|3.329905|4.174987|4.353897|3.507386|5.319006|12.010116|13.922944|36.858105| |2.375645|2.866702|2.881469|3.417134|4.397244|4.377830|3.394273|5.469674|12.263465|8.594361|13.476139|36.858105| |2.670754|3.316109|3.300878|3.993437|5.548342|5.684300|4.086961|7.911304|19.295303|8.547140|8.569526|14.664901|53.358707| |2.033519|2.397905|2.455173|2.890360|3.513031|3.367916|2.730625|3.942349|7.294050|5.175235|7.277901|12.727663|10.602694|36.858105| |2.192099|2.535163|2.508195|2.806875|3.311071|3.390267|2.900383|3.871487|7.331625|7.649120|13.498681|7.532703|7.235247|5.972857|53.358707| |1.968716|2.219872|2.167957|2.368584|2.736185|2.854478|2.522501|3.285057|5.814170|5.614499|7.734872|5.508377|5.740586|4.885908|19.200386|36.858105| |1.912993|2.132979|2.041343|2.199289|2.556119|2.755104|2.461776|3.306022|5.656576|5.118972|6.112780|4.910527|5.528398|4.354011|9.731817|11.409492|388.023441| |1.793434|1.992863|1.966091|2.129435|2.389797|2.445985|2.207651|2.705979|4.555692|4.170624|5.283587|4.169375|4.537670|3.988666|11.542146|14.014682|50.457235|53.358707| |1.606533|1.755085|1.724596|1.842522|2.037275|2.093566|1.925454|2.301771|3.727046|3.265257|3.867310|3.264155|3.716024|3.217664|7.157248|7.610132|42.262940|18.314816|36.858105| |1.464257|1.594377|1.583389|1.695504|1.854129|1.876078|1.727792|2.035742|3.249090|2.749995|3.244380|2.885200|3.311611|2.976112|5.699595|5.320535|31.244376|10.804466|13.758596|36.858105| |1.338334|1.440973|1.426972|1.513361|1.639219|1.663829|1.551198|1.795028|2.800336|2.325582|2.651313|2.405026|2.839356|2.476656|4.411671|3.956295|25.508438|7.048565|7.923733|13.748612|36.858105| |1.323881|1.413606|1.386604|1.456229|1.575409|1.618501|1.524473|1.750894|2.699095|2.243788|2.492695|2.242257|2.693590|2.256384|4.064617|3.674846|25.190225|6.205020|6.887736|7.972320|13.790187|36.858105| |1.426161|1.521921|1.478312|1.546026|1.683096|1.752085|1.655164|1.912013|2.955446|2.498879|2.744380|2.407222|2.898665|2.356701|4.504965|4.227366|30.034763|7.001450|7.956523|6.892726|7.927346|13.716585|36.858105| |1.580771|1.704996|1.653382|1.740471|1.916306|2.003040|1.873314|2.207770|3.491584|3.043490|3.410056|2.881584|3.399363|2.767191|5.885381|6.003534|40.638231|10.564262|13.694820|7.928294|6.852246|7.940626|13.820496|36.858105| |1.185414|1.253646|1.229847|1.282802|1.375019|1.410880|1.341256|1.514602|2.289674|1.863917|2.028710|1.865579|2.287587|1.886549|3.183006|2.749063|19.427683|4.356376|4.197478|4.744105|6.996176|10.736127|6.909310|4.716278|388.023441| |1.156204|1.221285|1.193397|1.243742|1.337976|1.380022|1.312033|1.493267|2.245996|1.810263|1.959683|1.822250|2.250380|1.846855|3.017647|2.610630|19.293540|3.975564|3.712318|4.014357|5.331477|7.321349|5.870818|4.224846|94.717434|73.516695| |1.128986|1.195097|1.181370|1.235750|1.317330|1.338490|1.270200|1.425343|2.152081|1.738473|1.901951|1.769867|2.168673|1.814337|2.974685|2.507796|17.251062|3.994696|3.710181|4.472364|6.617823|7.384070|4.938789|3.831731|94.371215|13.775483|73.516695| |1.179701|1.236815|1.207884|1.248413|1.329416|1.370377|1.317175|1.459627|2.182966|1.781964|1.901766|1.732349|2.149867|1.720491|2.958490|2.513706|17.741630|3.928310|3.635382|3.815677|4.940903|7.042729|6.072998|4.275709|82.143006|13.585024|13.311122|53.358707| |1.155852|1.208281|1.185496|1.222529|1.291305|1.322696|1.276116|1.392367|2.074801|1.692581|1.800349|1.639667|2.039943|1.627231|2.800269|2.324423|15.920992|3.661026|3.278640|3.489740|4.356308|5.404942|4.702972|3.667921|50.115328|8.831198|11.532430|17.359396|36.858105| |1.169100|1.215683|1.188062|1.218185|1.283330|1.320056|1.281886|1.385409|2.052051|1.676470|1.762752|1.597318|2.000727|1.568806|2.724110|2.246660|15.471136|3.490575|3.058597|3.130000|3.709306|4.558054|4.342733|3.491028|38.287002|7.486443|8.498929|12.753054|17.564939|0.500000| |1.058693|1.103643|1.086586|1.119807|1.177223|1.200457|1.159777|1.258599|1.862483|1.500293|1.592263|1.471807|1.842692|1.473507|2.440159|1.992993|13.732714|3.082608|2.679582|2.901490|3.562813|4.103527|3.536496|2.891739|39.899564|7.793577|10.766005|10.420313|12.421262|0.247725|36.858105| |1.011999|1.049958|1.029454|1.056657|1.110545|1.137757|1.103912|1.195214|1.755098|1.404443|1.477354|1.372516|1.732856|1.369995|2.233496|1.820665|12.829158|2.753240|2.360313|2.492919|2.982482|3.479405|3.143464|2.587813|33.913265|7.515662|8.401806|8.866109|7.505285|0.193668|12.423804|36.858105| |1.033466|1.074018|1.048765|1.077688|1.139402|1.173531|1.136303|1.243412|1.828330|1.462515|1.539349|1.431022|1.806145|1.428005|2.322768|1.918097|13.816348|2.876209|2.496644|2.608514|3.150213|3.834586|3.505289|2.801820|40.006895|9.818793|8.863598|10.461637|6.500585|0.166838|7.479189|12.429244|36.858105| |1.124018|1.170388|1.137827|1.169168|1.242223|1.286810|1.245164|1.370702|2.026167|1.638081|1.723943|1.582238|1.988496|1.564632|2.626701|2.205639|15.993177|3.329363|2.957620|3.011222|3.656264|4.808118|4.603082|3.480754|49.549300|11.763284|9.250121|17.323913|7.808906|0.210533|6.522517|7.566409|12.449352|36.858105| |1.138078|1.179645|1.144225|1.170129|1.238889|1.285983|1.251602|1.363115|2.005646|1.625677|1.695649|1.547304|1.953638|1.516720|2.577345|2.146025|15.461366|3.227315|2.817974|2.810103|3.300994|4.221661|4.251012|3.333863|38.122599|8.740843|7.611665|12.835744|7.723089|0.256834|6.176653|7.177099|8.960296|17.567460|0.500000| |1.142166|1.189038|1.149329|1.180094|1.260735|1.315773|1.273208|1.414664|2.085940|1.680675|1.759980|1.619303|2.044068|1.595464|2.654493|2.248701|16.905913|3.312062|2.920689|2.887777|3.399893|4.463077|4.596873|3.519330|41.333233|12.178098|7.559150|10.046997|4.960545|0.137005|4.310529|4.895769|7.442690|12.473542|0.252589|36.858105| |1.212777|1.274657|1.257987|1.303187|1.374954|1.398702|1.343343|1.465074|2.201641|1.810563|1.945623|1.759416|2.168431|1.749446|3.080376|2.543872|16.758133|4.141775|3.724421|4.087524|5.066092|5.735885|4.835051|3.973344|42.929104|7.467249|10.988456|10.154128|12.476668|0.251868|7.463146|4.875177|4.324896|4.967789|0.137494|3.748639|36.858105| |3.193437|3.764451|3.394661|3.587404|4.370447|5.305089|4.736415|6.191157|10.363674|12.747914|7.332063|5.160038|7.091819|3.718740|8.128235|4.959725|33.018782|5.336026|3.173748|2.633493|2.266389|2.237390|2.541461|3.090508|13.277486|3.209227|3.067745|2.482835|1.740094|0.048480|1.530951|1.437315|1.493782|1.686038|0.047014|1.729646|1.855419|36.858105| |17.540749|8.838989|5.918763|4.313323|3.969440|4.573286|6.656055|3.631508|4.004006|2.726927|2.308163|2.248503|3.465685|1.940356|2.783745|1.858177|13.048251|2.299824|1.525148|1.393395|1.279754|1.269794|1.367109|1.507486|8.127123|1.992489|1.932980|1.546864|1.109715|0.031173|1.019422|0.978664|1.002256|1.088037|0.030564|1.110398|1.157830|2.925048|0.500000| |17.545394|8.832812|5.830776|4.276634|3.965011|4.609590|6.779823|3.662096|4.200405|2.999875|2.500284|2.349632|3.540552|2.001107|3.055500|2.030084|14.044798|2.521966|1.663236|1.506103|1.378225|1.370987|1.486239|1.649681|8.717741|2.122181|2.067309|1.670392|1.203105|0.033940|1.097748|1.049800|1.071999|1.170402|0.033040|1.189515|1.261439|3.402849|0.302283|0.500000| |17.580658|8.836898|7.230118|4.737160|3.955712|4.158993|5.570343|3.215649|3.743849|2.616543|2.255732|2.180022|3.287205|1.897984|2.765316|1.828235|12.522316|2.294914|1.517221|1.393822|1.278136|1.261337|1.350447|1.488556|8.066895|1.961908|1.929966|1.538834|1.113441|0.031284|1.023588|0.977643|0.994269|1.077047|0.030318|1.089579|1.170403|2.807326|0.301890|0.301797|0.500000| |6.972928|8.926639|17.704312|8.914021|5.645402|4.943467|5.659808|3.546833|4.231362|2.882803|2.533820|2.514870|3.825114|2.197176|3.058214|1.965262|13.131762|2.462984|1.602681|1.483372|1.345278|1.307507|1.386798|1.538858|8.300883|2.010363|2.001430|1.565478|1.134432|0.031615|1.043988|0.989579|1.004323|1.085251|0.030365|1.092415|1.203945|2.910139|0.153544|0.150163|0.221427|0.500000| |4.085276|5.637275|8.913242|17.710093|8.944648|5.646158|4.976712|4.090163|5.173919|3.388324|3.083807|3.215971|4.960492|2.821636|3.617294|2.247170|14.681293|2.789500|1.779346|1.656330|1.480063|1.415151|1.489322|1.668177|8.891540|2.149913|2.155491|1.652065|1.193325|0.032943|1.097468|1.033255|1.050277|1.134417|0.031494|1.140132|1.276185|3.129808|0.099973|0.098942|0.112809|0.215676|0.500000| |3.540140|4.922568|5.634833|8.918874|17.725482|8.899506|5.654989|6.990015|9.303924|5.212878|4.626820|5.248446|9.287674|4.195907|4.873793|2.905674|19.079554|3.433268|2.130410|1.949707|1.710755|1.628585|1.729452|1.975124|10.064083|2.448402|2.418677|1.845970|1.314643|0.036098|1.199482|1.128301|1.158730|1.261716|0.034793|1.279606|1.403910|4.193618|0.090414|0.090308|0.090114|0.124128|0.215149|0.500000| |7.050578|8.918181|5.669298|4.973748|5.651654|8.941389|17.672737|7.049835|6.661959|4.365294|3.349250|3.184585|5.140003|2.572467|3.818653|2.498297|17.778489|2.966832|1.919873|1.711916|1.545566|1.533217|1.677409|1.894700|9.616299|2.361976|2.262654|1.815493|1.286966|0.036035|1.167606|1.116342|1.153302|1.267635|0.035462|1.303541|1.346192|4.825645|0.188350|0.195288|0.141061|0.124358|0.107866|0.124265|0.500000| |3.839386|4.772292|3.992248|4.194591|5.584934|8.880935|7.330257|17.597595|12.530572|6.936237|4.796536|4.616310|8.113669|3.446048|4.987203|3.230556|23.972369|3.622737|2.295300|2.010596|1.786570|1.765102|1.948975|2.247340|10.885101|2.693770|2.540896|2.021745|1.411429|0.039199|1.272183|1.213722|1.267183|1.403019|0.038876|1.456918|1.475396|6.646103|0.104118|0.106689|0.088884|0.090779|0.096309|0.140725|0.226715|0.500000| |3.404393|4.354527|3.995117|4.566731|6.567432|8.865992|6.044416|17.628872|12.800613|5.785551|4.608321|5.172669|10.656687|3.944230|4.688589|2.994333|21.886779|3.391425|2.150815|1.927778|1.711306|1.666162|1.804358|2.060324|10.332948|2.564013|2.438800|1.895769|1.325205|0.036516|1.205381|1.148484|1.197350|1.312909|0.036128|1.359190|1.388066|4.693121|0.093606|0.089644|0.081775|0.090890|0.106981|0.182129|0.158550|0.303175|0.500000| |1.877663|2.173157|2.193299|2.516434|2.997329|2.959734|2.469928|3.499364|6.265689|4.638046|6.442735|8.919660|8.248540|17.561088|7.995220|5.341280|35.513847|5.882638|3.544953|3.285401|2.716411|2.462595|2.567192|3.021297|14.518598|3.582390|3.472841|2.497344|1.715228|0.045674|1.550083|1.442038|1.514647|1.664264|0.044488|1.707491|1.835481|3.488509|0.050083|0.051733|0.048689|0.054974|0.067946|0.095739|0.065910|0.088305|0.097496|0.500000| |2.007473|2.371988|2.447637|2.905849|3.530564|3.330081|2.687952|3.871652|6.729838|4.419520|5.494545|8.973789|10.167566|17.606756|6.136420|3.853564|25.751203|4.432020|2.734706|2.571862|2.197018|2.019407|2.095770|2.407945|12.252637|3.020822|2.959675|2.147163|1.495037|0.040108|1.366214|1.278037|1.331482|1.447835|0.039002|1.479665|1.595637|3.284630|0.053648|0.054257|0.052161|0.060942|0.079478|0.119315|0.069972|0.092733|0.112738|0.300510|0.500000| |1.970490|2.314802|2.410463|2.848274|3.363314|3.129911|2.576809|3.477883|6.213647|4.615086|6.442719|8.879431|8.171436|17.539152|8.085909|4.737190|27.907391|5.590579|3.278390|3.103033|2.553496|2.283869|2.351015|2.752453|13.540306|3.271590|3.294451|2.360090|1.656172|0.044202|1.501583|1.385027|1.432566|1.564130|0.042143|1.577170|1.801846|3.469429|0.051820|0.053898|0.051626|0.060570|0.078847|0.111436|0.066851|0.084989|0.094779|0.301656|0.300743|0.500000| |2.166356|2.502170|2.520952|2.832241|3.261527|3.234245|2.794420|3.512538|6.362443|6.253264|9.254878|6.260255|6.324916|5.366450|26.005277|9.456962|38.104203|11.034594|5.069607|4.212755|3.239397|2.929430|3.175444|4.065725|16.372336|3.818597|3.883665|2.926931|2.070460|0.055879|1.806966|1.638941|1.685165|1.894769|0.051825|1.886443|2.317060|5.245362|0.055659|0.061554|0.056386|0.063313|0.075646|0.098037|0.074051|0.091391|0.086974|0.141154|0.115621|0.162390|0.500000| |1.789493|1.996143|1.996808|2.178371|2.422260|2.428023|2.184866|2.627606|4.411707|3.984702|5.089699|4.107888|4.449175|4.020365|11.057116|9.485302|38.139919|26.017955|9.375583|7.430930|4.877115|4.115130|4.368386|5.908327|21.247767|4.778357|5.035199|3.687817|2.595678|0.068547|2.210765|1.955775|2.010939|2.291114|0.061935|2.240503|3.004427|3.704150|0.046571|0.051147|0.047056|0.051280|0.058853|0.071474|0.059183|0.070703|0.067210|0.117183|0.091050|0.120837|0.260884|0.500000| |1.461734|1.601598|1.606581|1.736095|1.896639|1.892655|1.728805|2.041648|3.277874|2.745868|3.304946|3.003187|3.403006|3.196436|5.802950|5.090848|28.718785|9.951392|8.922967|17.713353|8.928655|5.663769|4.962041|5.640597|27.901070|6.055875|6.976991|4.384909|3.041497|0.076215|2.621207|2.260177|2.331508|2.614455|0.068194|2.503872|3.576558|2.570070|0.038571|0.041514|0.038776|0.041855|0.047478|0.055941|0.047157|0.055298|0.053927|0.097776|0.076326|0.095254|0.122911|0.218321|0.500000| |1.259016|1.352987|1.347116|1.429501|1.538802|1.550353|1.447036|1.660800|2.570616|2.102917|2.386933|2.210073|2.628058|2.311350|3.884312|3.346046|21.701229|5.714957|5.640441|8.903864|17.767150|8.938899|5.645503|4.945103|47.649372|9.065299|13.768061|6.284621|4.242598|0.098061|3.670680|3.024325|3.136044|3.470463|0.086283|3.162763|4.951009|2.037446|0.033490|0.035881|0.033544|0.035437|0.039064|0.044694|0.039918|0.045706|0.044256|0.070067|0.057640|0.066738|0.080112|0.114683|0.214903|0.500000| |1.396608|1.477830|1.426223|1.479215|1.604484|1.682491|1.605415|1.833539|2.791732|2.341879|2.509391|2.212168|2.711732|2.143912|3.997678|3.643502|27.044846|5.669894|5.660367|4.965747|5.645647|8.904642|17.761807|8.970043|46.705457|10.700147|8.044557|9.120375|4.872986|0.130684|3.624884|3.346933|3.856240|5.421599|0.140780|5.723964|4.596119|2.423490|0.037318|0.040582|0.036710|0.037233|0.039457|0.045461|0.045529|0.052417|0.048109|0.064382|0.053573|0.058922|0.077917|0.100097|0.107737|0.124229|0.500000| |1.689075|1.818969|1.744034|1.824761|2.019761|2.144677|2.016501|2.383734|3.762818|3.339800|3.635552|2.993697|3.575436|2.779215|6.164958|6.302935|46.016584|9.634507|8.910295|5.648679|4.947351|5.651072|8.945208|17.796290|27.722911|6.470291|5.710399|5.095295|3.261914|0.089201|2.611498|2.391146|2.590267|3.212229|0.087556|3.334143|3.449991|3.506070|0.044733|0.049303|0.043890|0.044868|0.048126|0.057332|0.057190|0.068395|0.061178|0.083398|0.067276|0.075573|0.114963|0.148932|0.124183|0.107495|0.216133|0.500000| |1.042631|1.091011|1.077773|1.115597|1.174560|1.193230|1.147297|1.253188|1.860807|1.494075|1.598176|1.487210|1.854713|1.503511|2.452512|2.004416|13.773622|3.112754|2.718037|3.032898|3.818981|4.256172|3.493696|2.865779|43.298872|8.312386|13.717049|9.321207|8.877951|0.174806|17.592280|8.803162|6.575483|5.596586|0.137693|3.989188|6.782452|1.509238|0.027901|0.029925|0.028009|0.028751|0.030448|0.033387|0.031994|0.035044|0.033447|0.044108|0.038744|0.042680|0.050490|0.062286|0.076823|0.114115|0.096547|0.070879|0.500000| |1.040876|1.082477|1.068294|1.098763|1.149212|1.168211|1.131805|1.216659|1.794622|1.443609|1.526709|1.411965|1.772900|1.411353|2.332871|1.881296|12.826913|2.904390|2.474553|2.667756|3.174240|3.514146|3.102000|2.628952|31.092084|6.272086|8.523947|7.584906|8.872648|0.214155|17.522414|8.837276|5.484681|4.929704|0.138889|3.535502|6.968621|1.477076|0.027798|0.029987|0.028044|0.028604|0.029978|0.032469|0.031590|0.034106|0.032330|0.040962|0.036423|0.040114|0.048340|0.058535|0.068076|0.091150|0.087453|0.066691|0.302782|0.500000| |0.958951|0.994133|0.977055|1.003133|1.051808|1.074400|1.042470|1.126174|1.648813|1.311086|1.378986|1.290841|1.634180|1.294870|2.071499|1.675226|11.803690|2.516979|2.130457|2.266927|2.683560|3.028997|2.724289|2.293740|28.784700|6.608892|7.522512|6.689285|5.486943|0.141015|8.823167|17.546239|8.805754|5.505138|0.143608|4.047268|4.050783|1.335369|0.025797|0.027562|0.025785|0.026143|0.027314|0.029710|0.029239|0.031696|0.030161|0.037812|0.033711|0.036403|0.042283|0.049964|0.057984|0.076971|0.079282|0.059067|0.216774|0.208897|0.500000| |1.012940|1.046393|1.023646|1.046138|1.096434|1.125788|1.097784|1.178746|1.722886|1.379458|1.439955|1.333364|1.691361|1.321535|2.168319|1.757696|12.389483|2.641160|2.236455|2.317151|2.702766|3.141830|2.948664|2.469935|28.543765|6.420109|6.862151|7.610797|6.654361|0.201382|8.853257|17.491342|8.882164|6.754055|0.209608|4.595373|4.512652|1.423258|0.027206|0.029267|0.027202|0.027374|0.028377|0.030822|0.030900|0.033346|0.031395|0.038452|0.034282|0.037066|0.044229|0.052137|0.058477|0.074889|0.088474|0.064465|0.173832|0.219653|0.303707|0.500000| |1.017596|1.061178|1.038747|1.071520|1.135237|1.166271|1.124230|1.239222|1.827356|1.456440|1.543225|1.444386|1.817741|1.453891|2.328100|1.926824|13.915735|2.890164|2.519811|2.684402|3.297093|3.955957|3.481321|2.782299|43.925024|11.528199|10.144373|9.450405|5.638188|0.135884|6.590469|8.769649|17.538905|8.868235|0.175057|6.633066|4.058925|1.473423|0.027440|0.029224|0.027189|0.027609|0.029057|0.032193|0.031631|0.034969|0.033270|0.043056|0.037700|0.040525|0.046843|0.056158|0.066964|0.093187|0.103502|0.070572|0.187234|0.135958|0.214643|0.173593|0.500000| |1.000407|1.035611|1.008892|1.033308|1.090865|1.126287|1.094684|1.192737|1.742507|1.386791|1.449127|1.351910|1.717898|1.345248|2.164863|1.776538|12.927886|2.625129|2.240256|2.306170|2.709213|3.233697|3.061033|2.513344|31.174160|8.118165|6.968382|7.587049|4.891533|0.134476|5.478604|8.829170|17.529232|8.857424|0.211191|7.033008|3.524879|1.420286|0.027023|0.028835|0.026738|0.026866|0.027943|0.030739|0.030946|0.033861|0.031968|0.039549|0.035007|0.037339|0.043490|0.050937|0.057780|0.074536|0.094450|0.065797|0.136034|0.123698|0.209119|0.219300|0.303074|0.500000| |1.109059|1.147969|1.106855|1.130933|1.203970|1.259286|1.225941|1.349307|1.972007|1.580328|1.637994|1.511586|1.924790|1.482733|2.442478|2.041676|15.390447|2.965782|2.547621|2.497031|2.858221|3.583102|3.743436|3.024608|31.304182|8.856875|6.195266|7.527834|4.232596|0.122514|3.847897|4.595346|6.678925|8.977621|0.230311|17.537934|3.262126|1.636252|0.030021|0.032128|0.029415|0.029286|0.030325|0.033810|0.034969|0.038731|0.036047|0.043821|0.038409|0.040636|0.048250|0.056072|0.061146|0.074597|0.126552|0.081658|0.097367|0.090657|0.107970|0.126525|0.157771|0.204396|0.500000| |1.218874|1.271499|1.224093|1.257136|1.349518|1.416273|1.369131|1.531770|2.268104|1.842506|1.927064|1.755246|2.209958|1.714903|2.921629|2.512105|19.172079|3.688303|3.288094|3.143877|3.634251|4.920275|5.552815|4.153997|40.477944|11.582139|7.184046|9.414782|4.682272|0.131401|3.839416|4.068145|5.450163|8.777276|0.211186|17.578844|3.744764|1.907692|0.032883|0.035357|0.032176|0.032199|0.033606|0.038012|0.039056|0.044013|0.040718|0.051111|0.043932|0.046875|0.057215|0.068176|0.074438|0.090688|0.212269|0.111070|0.099243|0.089808|0.094691|0.108489|0.139210|0.141225|0.302121|0.500000| |1.111229|1.160056|1.123723|1.157786|1.239441|1.290776|1.243772|1.392778|2.056103|1.645547|1.733231|1.610632|2.031049|1.601870|2.602991|2.206668|16.744622|3.231772|2.847029|2.864799|3.400592|4.368607|4.315725|3.348919|41.975566|14.682867|7.789157|8.527407|4.330404|0.114182|3.967535|4.474558|6.850087|8.708109|0.175351|17.687835|3.407355|1.673960|0.030074|0.032019|0.029444|0.029652|0.031122|0.035076|0.035315|0.039726|0.037378|0.047919|0.041393|0.043897|0.051214|0.060744|0.069525|0.089330|0.141281|0.087117|0.107188|0.090548|0.107795|0.112231|0.197002|0.181849|0.300945|0.301882|0.500000| |1.301815|1.372128|1.350552|1.399965|1.482853|1.513792|1.451969|1.589591|2.404455|2.002863|2.156326|1.919739|2.352807|1.890089|3.468890|2.900670|18.825272|4.829433|4.436534|4.690669|5.596650|6.484653|5.845440|4.849623|40.900201|7.298931|9.515785|9.354030|8.787528|0.215630|5.452758|4.053441|3.829917|4.655196|0.131269|3.719825|17.581194|2.068250|0.034417|0.037736|0.034792|0.035776|0.037946|0.042016|0.040452|0.044550|0.041572|0.055057|0.047490|0.054043|0.072578|0.096532|0.110314|0.140485|0.150250|0.115458|0.139591|0.141581|0.094636|0.107465|0.099904|0.089235|0.089681|0.108073|0.092953|0.500000| |1.187384|1.242737|1.229260|1.268755|1.329166|1.347869|1.300919|1.399598|2.089596|1.711765|1.824921|1.654600|2.052622|1.640602|2.862360|2.315378|15.169314|3.715898|3.203985|3.455993|4.035937|4.348012|3.869396|3.358175|32.228925|6.084334|8.468410|7.521492|8.951308|0.223460|6.842721|4.578866|3.839677|4.193391|0.121010|3.235471|17.551476|1.762888|0.031443|0.034331|0.031959|0.032825|0.034596|0.037579|0.036157|0.039114|0.036804|0.047380|0.041765|0.047095|0.060303|0.076034|0.086936|0.111492|0.103988|0.083589|0.166405|0.209663|0.108643|0.123126|0.098772|0.089696|0.080971|0.089085|0.081788|0.301979|0.500000| |1.191044|1.257764|1.247579|1.299989|1.373427|1.388965|1.325729|1.456689|2.199333|1.800752|1.957889|1.786382|2.188210|1.800488|3.110136|2.566045|16.758647|4.220903|3.821391|4.476928|5.840633|6.038058|4.654241|3.878751|45.420862|7.688531|13.642662|8.816281|8.720881|0.174709|6.767742|4.463945|4.032714|4.406948|0.115883|3.454027|17.633236|1.818717|0.031599|0.034251|0.031956|0.033160|0.035500|0.039182|0.036751|0.040507|0.038488|0.052695|0.045597|0.051829|0.065242|0.086120|0.110682|0.171457|0.117457|0.091546|0.200276|0.173535|0.107847|0.110338|0.110867|0.091424|0.083037|0.095137|0.090615|0.300094|0.302122|0.500000| |3.120345|3.562198|3.118816|3.212284|3.863259|4.860269|4.550829|6.008254|9.040561|8.921730|5.858561|4.502070|6.378408|3.367920|6.709474|4.494552|33.249426|4.865135|3.012672|2.498879|2.187560|2.196576|2.522202|3.031735|13.160165|3.218794|3.012945|2.471850|1.716541|0.048018|1.511480|1.432052|1.499449|1.697615|0.047378|1.763156|1.804679|17.557246|0.081357|0.093255|0.075346|0.074845|0.077839|0.102136|0.137882|0.202998|0.130245|0.090161|0.084297|0.085699|0.118463|0.091596|0.066866|0.054571|0.067894|0.097269|0.041278|0.040357|0.036930|0.039468|0.041026|0.039807|0.046552|0.054288|0.047396|0.055694|0.047499|0.048918|0.500000| |2.832832|3.236111|2.993671|3.146128|3.668428|4.168037|3.832735|4.620289|7.708015|8.991532|6.939479|4.682519|5.974126|3.552636|9.201513|5.758050|35.669091|6.292908|3.659695|2.951899|2.510695|2.484633|2.864264|3.574144|14.487612|3.459494|3.329528|2.723014|1.913005|0.053405|1.662572|1.549259|1.606417|1.829801|0.051198|1.864574|2.059423|17.616110|0.071981|0.084467|0.070784|0.073215|0.078456|0.099655|0.107720|0.134332|0.104078|0.094514|0.085595|0.094635|0.168192|0.120291|0.079078|0.061943|0.075339|0.114722|0.045373|0.044545|0.039754|0.042644|0.043850|0.042198|0.048740|0.057466|0.049769|0.064641|0.054219|0.055773|0.302466|0.500000| 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