Version2.0 2020-01-14T14:41:50Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 10-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)CCCOC(=O)CCC(=O)NC(=S)NNC(=O)C(c2ccccc2)c3ccccc3 C13999274 RHF 6-31G(d) (6D,7F) c1ccc(cc1)CCCOC(=O)CCC(=O)NC(=S)NNC(=O)C(c2ccccc2)c3ccccc3 C01[X(C28H29N3O4S1)] 189 C1 602 O=C(CCC(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1)OCCCc1ccccc1 O=C(CCC(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1)OCCCc1ccccc1 O=C(CCC(=O)OCCCc1ccccc1)NC(=S)NNC(=O)C(c2ccccc2)c3ccccc3 InChIKey=BGSASNOWDCCKRZ-UHFFFAOYSA-N InChI=1S/C28H29N3O4S/c32-24(18-19-25(33)35-20-10-13-21-11-4-1-5-12-21)29-28(36)31-30-27(34)26(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,11-12,14-17,26H,10,13,18-20H2,(H,30,34)(H2,29,31,32,36) InChI=1/C28H29N3O4S/c32-24(18-19-25(33)35-20-10-13-21-11-4-1-5-12-21)29-28(36)31-30-27(34)26(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,11-12,14-17,26H,10,13,18-20H2,(H,30,34)(H2,29,31,32,36)/f/h29-31H c1ccc(cc1)CCCOC(=O)CCC(=O)NC(=S)NNC(=O)C(c2ccccc2)c3ccccc3 C01[X(C28H29N3O4S1)] 189 C01 602 O=C(CCC(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1)OCCCc1ccccc1 O=C(CCC(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1)OCCCc1ccccc1 O=C(CCC(=O)OCCCc1ccccc1)NC(=S)NNC(=O)C(c2ccccc2)c3ccccc3 InChIKey=BGSASNOWDCCKRZ-UHFFFAOYSA-N InChI=1S/C28H29N3O4S/c32-24(18-19-25(33)35-20-10-13-21-11-4-1-5-12-21)29-28(36)31-30-27(34)26(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,11-12,14-17,26H,10,13,18-20H2,(H,30,34)(H2,29,31,32,36) InChI=1/C28H29N3O4S/c32-24(18-19-25(33)35-20-10-13-21-11-4-1-5-12-21)29-28(36)31-30-27(34)26(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,11-12,14-17,26H,10,13,18-20H2,(H,30,34)(H2,29,31,32,36)/f/h29-31H 3622.2170208888 -1937.5476628 1-A 36509.7825 133 469 602 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.87585 -20.61350 -20.56656 -20.55926 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911.0390 922.5246 936.8473 950.0112 957.1422 967.0034 969.2994 1025.6091 1033.8510 1040.3104 1048.1465 1072.1926 1076.6354 1089.6915 1090.1043 1092.3212 1096.6948 1098.1019 1100.1653 1112.2270 1123.8911 1125.6891 1131.2067 1132.6724 1133.0612 1134.8877 1139.0175 1149.3180 1152.0236 1183.5231 1184.0438 1184.6734 1186.5918 1188.8506 1194.9590 1209.2544 1224.6080 1244.1540 1250.5854 1284.9808 1297.6305 1302.0324 1302.9865 1304.2015 1309.7802 1313.6482 1321.8451 1321.9432 1340.2569 1343.8385 1356.7615 1369.8611 1399.1624 1409.2058 1419.2306 1426.9521 1439.7273 1442.8850 1464.8287 1480.9247 1488.5943 1496.9130 1500.9450 1526.0970 1532.5583 1575.5008 1597.0817 1609.0248 1616.2585 1621.0882 1621.2431 1625.4915 1638.8115 1650.0463 1667.2761 1670.5422 1671.2608 1672.0342 1673.1648 1682.5787 1746.3328 1783.0188 1785.5859 1787.7177 1806.0667 1812.0606 1812.4172 1990.8262 2006.8386 2051.8360 3201.3571 3223.7392 3225.1003 3230.7387 3231.6950 3251.0637 3253.0890 3263.2038 3266.0139 3294.8519 3303.2897 3346.1292 3346.1857 3347.9289 3353.1469 3361.7433 3362.4341 3365.2357 3371.7857 3373.1519 3374.1731 3385.1088 3386.7691 3387.6291 3399.0130 3409.9799 3843.4649 3850.7827 3856.3004 5.5657 5.3634 4.9872 4.9490 4.9812 5.6902 5.4386 5.7666 5.7530 7.3143 4.9600 5.8115 3.0789 5.7298 4.6135 2.5757 6.0209 2.0052 6.6340 6.7323 5.2682 5.8875 6.4420 3.3316 5.8443 5.9650 6.0402 4.4695 6.0050 5.0368 6.2203 5.5040 6.2890 2.3278 6.6264 4.3154 2.9080 2.9231 4.6829 3.0122 1.6065 4.0089 3.7893 2.8595 3.4058 3.5380 2.0368 1.9753 3.0030 3.8131 3.3010 2.7152 3.9795 5.7752 6.3359 5.1440 5.9598 2.4284 2.3233 1.9243 2.4511 2.3161 1.0979 2.4765 2.8404 1.8834 1.8112 5.2894 3.2373 2.0246 4.0054 3.4827 1.2670 1.2525 1.2485 1.2866 3.8068 2.1560 1.6298 2.4248 1.5004 4.8656 4.0551 6.1402 5.4448 6.1094 1.4082 1.3634 3.9102 1.3583 1.3441 1.3355 2.4469 2.8437 2.3424 2.2837 1.3367 1.8739 2.1697 3.3634 3.3521 1.9211 1.7857 2.4534 2.4884 2.6317 2.3074 1.5376 2.4256 2.4117 2.7420 1.1943 1.5408 1.2981 1.1817 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0.4479 5.4043 6.3913 0.3951 2.6523 0.8199 1.4856 13.9867 0.1651 0.0592 26.2210 11.3437 0.1065 17.9729 7.6240 0.8039 0.0050 21.9309 2.5370 54.7288 0.4673 7.3676 17.2015 69.2514 15.0117 20.5946 52.7807 24.0752 40.4281 77.0140 28.9046 16.6402 0.7237 0.0087 11.6972 24.1871 75.6059 12.0117 27.0959 31.9375 28.9773 0.2247 31.6680 49.2607 46.6225 49.0046 13.6034 2.4392 26.1504 5.8366 2.3263 1.0600 0.0395 0.0175 7.3750 3.7414 0.3114 2.7246 5.7153 3.6309 18.1875 2.2841 1.3709 1.7833 3.2550 0.1107 0.0089 13.9743 0.1824 1.9502 0.0024 12.0715 16.8411 0.8755 1.7055 0.6179 1.9222 6.7142 11.7683 14.0313 3.1412 1.1925 22.9691 17.6948 0.7364 8.0923 0.1156 321.9037 164.9459 381.6002 0.0696 27.7239 18.1835 3.9927 4.0157 2.7664 1.3832 15.7790 1.9049 1.7848 452.3232 275.9195 0.8248 12.9255 0.0433 54.0326 2.5958 167.0991 195.9157 0.3236 248.4167 9.1409 20.2916 27.9093 35.9191 39.2659 19.8445 19.5261 6.0597 8.3109 13.2605 0.3077 1.4825 125.8580 2.0477 69.3014 13.3138 9.6203 175.4528 483.8770 7.6806 2.1285 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1600.25 1617.03 1619.62 1627.55 1629.66 1630.22 1632.85 1638.79 1653.61 1657.51 1702.83 1703.58 1704.48 1707.24 1710.49 1719.28 1739.85 1761.94 1790.06 1799.31 1848.80 1867.00 1873.33 1874.71 1876.46 1884.48 1890.05 1901.84 1901.98 1928.33 1933.48 1952.08 1970.92 2013.08 2027.53 2041.96 2053.07 2071.45 2075.99 2107.56 2130.72 2141.76 2153.72 2159.53 2195.71 2205.01 2266.79 2297.84 2315.03 2325.44 2332.38 2332.61 2338.72 2357.88 2374.05 2398.84 2403.54 2404.57 2405.68 2407.31 2420.86 2512.58 2565.37 2569.06 2572.13 2598.53 2607.15 2607.66 2864.35 2887.39 2952.13 4606.04 4638.24 4640.20 4648.31 4649.69 4677.56 4680.47 4695.02 4699.07 4740.56 4752.70 4814.33 4814.41 4816.92 4824.43 4836.80 4837.79 4841.82 4851.25 4853.21 4854.68 4870.42 4872.81 4874.04 4890.42 4906.20 5529.89 5540.42 5548.36 0.566971 0.599341 0.600285 0.492167 -1936.980692 -1936.948322 -1936.947377 -1937.055496 3.626329D-04 MUNgauss RevisionA2.0 retrievium 14-Jan-2020 DUDE c1ccc(cc1)CCCOC(=O)CCC(=O)NC(=S)NNC(=O)C(c2ccccc2)c3ccccc3 C13999274 RHF 6-31G(d) (6D,10F) C1 503.187878 |X|Y|Z| 69.336273 33.251461 174.918720 73.881523 32 6 7 8 28 3 1 |36.858105| |13.751876|36.858105| |7.933216|13.751963|36.858105| |6.814427|7.889415|13.703185|36.858105| |7.933356|6.895419|7.978031|13.704066|36.858105| |13.752764|7.961207|6.895240|7.889284|13.751097|36.858105| |4.420548|5.007562|7.541576|12.581618|7.541130|5.007309|36.858105| |3.747645|4.162794|5.665980|7.509297|5.655755|4.158632|12.408779|36.858105| |2.907064|3.178123|4.053382|4.909574|4.050135|3.176501|7.540247|12.555582|36.858105| |2.584247|2.787062|3.382569|3.879853|3.378046|2.784483|5.077778|8.027387|13.372266|73.516695| |2.197870|2.350663|2.776322|3.105000|2.772801|2.348491|3.915936|5.269118|8.101959|25.656923|36.858105| |2.068888|2.211504|2.609367|2.917137|2.607921|2.210597|3.721324|4.604213|7.166084|15.293807|15.984964|73.516695| |1.996529|2.115087|2.424084|2.641680|2.418394|2.111272|3.128090|4.066867|5.179714|14.481823|12.623877|14.106285|36.858105| |1.731764|1.822718|2.057251|2.219794|2.059092|1.823983|2.587396|3.151159|3.920600|9.219918|7.592466|12.117987|12.527293|36.858105| |1.589935|1.664482|1.844402|1.959308|1.839155|1.660600|2.213135|2.645164|3.090510|6.971583|4.935182|7.885695|7.557302|12.557453|36.858105| |1.618030|1.693556|1.863616|1.963104|1.846647|1.680750|2.183000|2.628448|2.970556|6.744716|4.460807|6.838142|6.850342|7.988453|16.111942|73.516695| |1.433779|1.494008|1.642473|1.739526|1.645050|1.495939|1.950711|2.263398|2.620449|5.600693|3.871016|6.645204|5.071044|7.896258|13.607517|14.783028|53.358707| |1.315813|1.367805|1.487832|1.560530|1.483489|1.364411|1.723093|1.968146|2.221816|4.627182|3.057517|5.269108|3.812538|5.102482|7.626232|11.467871|19.052721|36.858105| |1.281277|1.332972|1.437419|1.490521|1.418335|1.317670|1.621505|1.848849|2.036174|4.223137|2.688230|4.529771|3.337799|4.023625|5.807398|10.833676|9.558708|11.521147|388.023441| |1.224445|1.268028|1.374468|1.443053|1.378733|1.271373|1.589794|1.786186|2.011760|4.083592|2.674862|4.743348|3.160785|4.117120|5.238180|7.951571|11.391408|13.960873|52.088958|53.358707| |1.223757|1.266072|1.377695|1.455387|1.391005|1.276393|1.615927|1.802148|2.054945|4.117298|2.730613|4.991828|3.117263|4.127745|4.720997|6.877631|9.741371|7.920331|34.790691|18.942072|53.358707| |1.198961|1.246515|1.359539|1.430367|1.358700|1.245859|1.593764|1.759473|2.016704|3.973983|2.637962|4.946941|2.909369|3.786455|4.051665|5.969591|7.563730|5.784728|28.897164|10.854868|18.750351|36.858105| |1.193160|1.247462|1.360632|1.420284|1.340625|1.231949|1.579697|1.742983|1.991581|3.921801|2.591077|4.837454|2.859982|3.666562|3.964761|5.958029|7.133339|5.645683|30.052734|9.562277|11.545818|16.022869|73.516695| |1.173810|1.216219|1.326880|1.403272|1.338138|1.224882|1.567578|1.707911|1.962218|3.784667|2.495224|4.794137|2.643135|3.328270|3.334188|4.987281|5.710011|4.096854|22.056816|6.971946|10.661513|12.458244|14.003349|36.858105| |1.269380|1.316340|1.448484|1.546830|1.470823|1.333065|1.752654|1.913163|2.244724|4.311637|2.904025|5.773991|2.991519|3.816782|3.551098|5.188054|5.812772|3.809116|20.497763|5.896071|8.333584|7.604297|10.265619|12.439059|36.858105| |1.258583|1.295952|1.422884|1.530938|1.469024|1.330590|1.732102|1.870997|2.182853|4.122437|2.726350|5.432515|2.742526|3.347813|3.072312|4.600247|4.811422|3.169907|17.697280|4.819197|6.395327|5.134519|7.316093|7.565744|13.703796|36.858105| |1.342806|1.380757|1.525503|1.658741|1.592564|1.429989|1.898009|2.038783|2.410074|4.474517|2.961020|6.066454|2.861732|3.389833|2.965559|4.469685|4.406098|2.826452|16.154439|4.095402|5.092497|3.935561|5.970365|5.008861|7.897146|13.760270|36.858105| |1.465929|1.518622|1.698491|1.856946|1.761164|1.563007|2.167937|2.344893|2.862372|5.290521|3.605481|7.816280|3.342975|3.956827|3.251588|4.841396|4.653391|2.882933|16.527860|4.015662|4.837666|3.757481|5.940871|4.406425|6.822507|7.934542|13.749343|36.858105| |1.484679|1.553496|1.744889|1.888399|1.766734|1.568873|2.212900|2.434350|3.014496|5.723919|4.063777|9.001348|3.835735|4.818137|3.839446|5.543985|5.541350|3.336986|18.728742|4.574137|5.527930|4.460730|7.223493|4.968036|7.890925|6.889639|7.957291|13.758335|36.858105| |1.372397|1.434784|1.594939|1.704818|1.601360|1.439453|1.960048|2.160691|2.598936|5.030568|3.507437|7.232755|3.555893|4.688730|4.072290|5.790596|6.408659|3.943290|21.243240|5.653264|7.322542|6.506076|10.107450|7.436497|13.694479|7.963824|6.887538|7.928524|13.728640|36.858105| |1.101877|1.143799|1.243431|1.305825|1.243504|1.143850|1.450576|1.559536|1.774297|3.363416|2.176668|4.190879|2.261075|2.735051|2.724377|4.206730|4.442120|3.267228|18.860935|5.338564|6.967052|7.505414|11.687632|12.505707|7.431535|5.648152|4.135427|3.706990|4.096848|5.561804|36.858105| |1.026112|1.060361|1.145351|1.200914|1.150989|1.064835|1.322497|1.411510|1.585144|2.983692|1.898344|3.615484|1.967922|2.322481|2.338375|3.689965|3.750620|2.817486|16.827214|4.610888|5.735956|5.379999|8.521983|7.587121|5.251770|4.678416|3.556855|3.108040|3.258039|4.059433|13.731785|36.858105| |0.972308|1.005605|1.082784|1.129725|1.082373|1.005270|1.238163|1.310385|1.460574|2.722415|1.711993|3.256099|1.757729|2.031217|2.036769|3.264441|3.185084|2.396483|14.806290|3.797545|4.465284|4.027695|6.870659|5.014265|3.967505|3.657817|2.981662|2.675490|2.788217|3.321407|7.890304|13.730176|36.858105| |0.980483|1.018624|1.098692|1.141730|1.088042|1.010097|1.253268|1.321706|1.475203|2.734921|1.718166|3.285456|1.749226|2.008393|1.994510|3.204067|3.074477|2.292764|14.320571|3.539473|4.074756|3.726394|6.719663|4.417135|3.707853|3.340773|2.822476|2.623641|2.789494|3.291323|6.828262|7.946596|13.785052|36.858105| |1.045864|1.091870|1.184343|1.230670|1.165071|1.076676|1.360592|1.440786|1.623946|3.018264|1.916294|3.699471|1.945411|2.257611|2.218168|3.524877|3.422270|2.516341|15.512736|3.838679|4.453514|4.259518|7.993916|4.989373|4.283517|3.646322|3.087105|2.955608|3.265238|3.957624|7.913700|6.906505|7.960241|13.728658|36.858105| |1.113320|1.162571|1.267128|1.323805|1.251477|1.150417|1.474251|1.577731|1.799477|3.384347|2.187387|4.250261|2.240711|2.676710|2.622234|4.075148|4.149685|3.013764|17.866657|4.677446|5.698994|5.951659|10.974817|7.466267|6.039833|4.646038|3.735342|3.569066|4.096347|5.415784|13.692186|7.968581|6.878719|7.924672|13.782639|36.858105| |17.716216|8.904820|5.641404|4.921432|5.641393|8.905005|3.537807|3.112085|2.504927|4.043723|1.967814|3.302471|1.814387|1.590786|1.475882|2.678189|1.822145|1.237165|8.611644|1.571266|1.566945|1.127405|1.995783|1.103553|1.186724|1.177273|1.250386|1.355474|1.371287|1.275864|1.038976|0.971341|0.922621|0.929782|0.988501|1.048784|0.500000| |8.912208|17.711533|8.925682|5.628177|4.963203|5.653220|4.088529|3.551676|2.828093|4.501552|2.171987|3.644404|1.979543|1.721309|1.586030|2.878483|1.945040|1.316692|9.183997|1.662457|1.654779|1.200188|2.144673|1.168203|1.257091|1.232977|1.306075|1.431623|1.471302|1.368399|1.103616|1.024573|0.974821|0.989736|1.060411|1.124960|0.214575|0.500000| |5.647790|8.933731|17.692618|8.911122|5.659062|4.961639|6.999129|5.560414|4.166017|6.174062|2.869857|4.818045|2.492954|2.116983|1.892655|3.395457|2.290783|1.524011|10.482020|1.912157|1.915077|1.396251|2.499181|1.358615|1.482220|1.445755|1.545506|1.729829|1.795812|1.643428|1.277044|1.172062|1.109745|1.131160|1.224671|1.309443|0.124184|0.216042|0.500000| |5.647833|4.961696|5.659023|8.911474|17.692158|8.933350|6.998478|5.543134|4.159710|6.158510|2.862915|4.812896|2.481930|2.120557|1.882566|3.338180|2.297520|1.515708|10.225326|1.923254|1.949938|1.394629|2.430544|1.380417|1.525805|1.535855|1.677300|1.853899|1.839026|1.656029|1.277185|1.182912|1.108955|1.110688|1.187471|1.279133|0.124183|0.107664|0.124211|0.500000| |8.912492|5.653166|4.963078|5.628068|8.925084|17.711119|4.088276|3.547055|2.826049|4.495411|2.168929|3.642107|1.973973|1.723202|1.580055|2.843284|1.949135|1.311309|9.009695|1.669718|1.677105|1.199143|2.100783|1.181970|1.283349|1.287460|1.382764|1.499615|1.494777|1.375633|1.103696|1.031791|0.974276|0.975921|1.035965|1.105546|0.214578|0.124157|0.107663|0.216027|0.500000| |3.978402|4.217856|5.674627|8.914721|7.150244|4.730205|17.530030|8.838139|6.933166|8.366732|3.788798|6.606621|3.007410|2.539147|2.159887|3.744616|2.619612|1.697153|11.250191|2.149195|2.203831|1.596947|2.792777|1.587176|1.788578|1.789330|1.985386|2.270554|2.273764|1.990429|1.466941|1.340292|1.253438|1.265204|1.370005|1.485102|0.090550|0.097160|0.143857|0.214467|0.112265|0.500000| |3.978316|4.728148|7.142995|8.914378|5.678104|4.219170|17.530655|8.838990|6.931818|8.368283|3.790803|6.606603|3.011995|2.534481|2.164333|3.773915|2.613783|1.700858|11.380027|2.141728|2.181998|1.597313|2.833380|1.573003|1.758834|1.728375|1.891099|2.173320|2.239320|1.980804|1.466509|1.333526|1.253701|1.277238|1.392651|1.503878|0.090549|0.112202|0.214021|0.143991|0.097198|0.303917|0.500000| |3.803095|4.416787|6.034654|6.866915|5.058019|3.986752|8.815956|17.553382|8.919650|13.058710|4.947932|7.498462|4.038326|3.099611|2.655765|4.780667|3.066847|1.973916|13.385910|2.418311|2.412965|1.732101|3.078918|1.663183|1.841288|1.780451|1.912571|2.184019|2.303260|2.080801|1.524427|1.379450|1.283937|1.298759|1.417523|1.548475|0.088253|0.107093|0.174955|0.129577|0.093618|0.173364|0.211168|0.500000| |3.804280|3.993093|5.069891|6.869413|6.019430|4.411281|8.816079|17.552045|8.918257|13.049412|4.942232|7.496344|4.026752|3.107736|2.647327|4.721246|3.076002|1.967983|13.175186|2.428894|2.442383|1.731451|3.026664|1.679783|1.875272|1.847111|2.010054|2.282439|2.340396|2.091654|1.524741|1.386809|1.283527|1.285971|1.393489|1.527806|0.088277|0.093796|0.130009|0.174019|0.106893|0.211088|0.173372|0.303630|0.500000| |2.754835|2.927437|3.640455|4.530760|3.953376|3.083211|6.813319|8.797398|17.603070|16.521105|7.248860|12.871025|4.735562|3.795467|2.973158|4.987196|3.505712|2.179526|14.006643|2.723001|2.821068|2.033186|3.525995|2.010299|2.333528|2.311811|2.609464|3.129069|3.193554|2.686227|1.811470|1.621668|1.490305|1.498973|1.644933|1.825813|0.066365|0.072104|0.101062|0.118359|0.077659|0.205434|0.169995|0.173585|0.211801|0.500000| |2.754726|3.083809|3.954872|4.531289|3.639597|2.926808|6.816929|8.797512|17.604252|16.521849|7.260821|12.874852|4.751512|3.778924|2.984021|5.055687|3.491042|2.187035|14.257897|2.707436|2.775257|2.033877|3.609085|1.981634|2.268441|2.184251|2.405186|2.887785|3.100326|2.662847|1.810744|1.609736|1.490835|1.519320|1.684924|1.861372|0.066361|0.077681|0.118451|0.101019|0.072082|0.170178|0.205516|0.211734|0.173569|0.302381|0.500000| |2.019541|2.164656|2.474920|2.634825|2.382824|2.102076|3.066372|3.993286|4.822674|12.997966|9.009861|11.071372|17.580252|8.823714|6.966960|12.781666|6.375581|3.696372|24.253480|4.107183|3.944844|2.734654|4.900944|2.449119|2.698400|2.451055|2.518285|2.895961|3.336476|3.180035|2.134332|1.865695|1.682437|1.685987|1.876376|2.139564|0.051090|0.056804|0.071604|0.066698|0.054257|0.079805|0.082986|0.116196|0.107898|0.116601|0.127255|0.500000| |2.039889|2.130051|2.416534|2.660948|2.488621|2.179009|3.091387|4.052148|4.862958|13.307209|8.987446|10.882798|17.581191|8.793474|6.769794|11.917751|6.371884|3.626159|23.018917|4.115405|4.020321|2.693028|4.638142|2.465388|2.758969|2.588972|2.704985|3.075969|3.379242|3.155721|2.107014|1.861716|1.663476|1.640886|1.801242|2.059483|0.051586|0.055052|0.067822|0.071649|0.057040|0.083134|0.080507|0.110532|0.117641|0.126522|0.117702|0.306365|0.500000| |1.692268|1.763901|1.985765|2.169392|2.037958|1.800239|2.534950|3.034883|3.791398|8.524476|6.851450|12.017533|8.832703|17.551196|8.884431|10.851367|9.931626|4.806354|26.037676|5.623362|5.962630|3.949778|6.485923|3.607697|4.331081|3.893464|4.022484|4.735275|5.615326|5.264725|2.884197|2.448972|2.115448|2.067407|2.309612|2.762092|0.043208|0.046045|0.056220|0.059055|0.047564|0.070568|0.068480|0.080748|0.084225|0.106909|0.099989|0.173057|0.210829|0.500000| |1.686707|1.790679|2.028415|2.168276|1.988801|1.763176|2.542159|3.034590|3.821497|8.541275|7.012631|12.704991|8.854874|17.559204|8.988051|11.168935|9.674479|4.872152|27.347973|5.525735|5.674895|4.067421|7.234208|3.560447|4.134173|3.490457|3.511448|4.216835|5.551781|5.456621|2.961016|2.460367|2.157722|2.164675|2.482910|2.975502|0.043047|0.047227|0.058651|0.056495|0.046078|0.069113|0.070637|0.083425|0.080931|0.102138|0.107273|0.208633|0.173006|0.305528|0.500000| |1.420095|1.477976|1.630059|1.736500|1.643192|1.487753|1.962643|2.256838|2.650761|5.569251|3.920000|7.034237|4.841694|7.793522|9.353707|10.852613|26.002895|9.533510|38.036082|11.017682|11.912300|6.761778|10.476669|5.129107|5.455744|4.332523|3.882991|4.095346|5.006693|6.087623|3.759156|3.089185|2.567815|2.463685|2.765884|3.447449|0.036774|0.039169|0.046361|0.047066|0.039592|0.054298|0.053818|0.061628|0.062346|0.073601|0.072404|0.119423|0.122549|0.229731|0.207236|0.500000| |1.159931|1.201094|1.295376|1.351968|1.293140|1.199299|1.478695|1.648705|1.836744|3.688201|2.374918|4.208701|2.762106|3.448719|4.277775|6.852872|8.225592|9.532540|51.060766|26.007661|12.776433|6.931694|11.897327|4.629769|3.776490|3.142073|2.677381|2.609191|2.937037|3.585066|3.790116|3.372787|2.821275|2.623722|2.806780|3.343088|0.030485|0.032263|0.036810|0.036692|0.032183|0.040716|0.040762|0.045759|0.045691|0.050579|0.050662|0.074596|0.073653|0.094854|0.095716|0.159811|0.500000| |1.201347|1.235996|1.341167|1.422822|1.369572|1.258161|1.575176|1.748789|1.983823|3.946549|2.590241|4.735341|2.919698|3.759241|4.186817|6.237987|8.009408|6.236679|30.037669|12.964415|26.032799|9.234174|10.884374|7.440505|5.983643|5.000691|3.909107|3.557217|3.861575|4.898047|4.854190|4.223869|3.249415|2.886543|3.065455|3.835086|0.031433|0.032898|0.037849|0.039366|0.033880|0.044112|0.043196|0.047483|0.048705|0.056117|0.054254|0.074576|0.078494|0.114597|0.102628|0.196332|0.204327|0.500000| |1.137879|1.172423|1.273201|1.349300|1.296342|1.190448|1.498157|1.628696|1.853537|3.569870|2.324737|4.411519|2.471883|3.058959|3.111965|4.728595|5.303597|3.889510|21.226284|6.799441|10.353757|9.007115|10.652129|17.558674|9.019145|7.398901|4.835336|4.029303|4.237854|5.666713|9.035581|7.567387|4.880202|4.034806|4.220041|5.608708|0.029787|0.031252|0.036026|0.037267|0.032052|0.042280|0.041509|0.043945|0.044859|0.053000|0.051497|0.063433|0.065334|0.093272|0.087938|0.129512|0.126852|0.238816|0.500000| |1.185395|1.215226|1.324992|1.421591|1.373282|1.252231|1.591484|1.708728|1.960932|3.689207|2.392124|4.668977|2.427171|2.902453|2.748540|4.200892|4.319194|2.949069|16.763107|4.587567|6.030716|4.728099|6.714944|7.066143|8.907270|17.700221|8.938308|5.649025|4.959331|5.652721|5.599694|5.107035|3.913067|3.410021|3.546168|4.356139|0.030930|0.032176|0.037278|0.039885|0.033808|0.045677|0.043993|0.045286|0.047125|0.057539|0.054265|0.060933|0.064640|0.092195|0.082663|0.104950|0.084794|0.137124|0.225101|0.500000| |1.317834|1.346455|1.481071|1.616090|1.565781|1.409284|1.837567|1.951358|2.274746|4.163221|2.687942|5.425358|2.578543|2.953049|2.617794|4.030729|3.828689|2.498634|14.610891|3.610165|4.368984|3.301365|5.081728|4.096659|5.632573|8.933559|17.715520|8.908642|5.651541|4.959429|3.538580|3.205122|2.751387|2.585488|2.751199|3.202094|0.034153|0.035319|0.041436|0.046056|0.038052|0.053857|0.050624|0.050575|0.053793|0.069061|0.062591|0.063373|0.068942|0.096251|0.083350|0.091087|0.066452|0.094755|0.114824|0.216267|0.500000| |1.549179|1.602311|1.802536|1.992276|1.890745|1.663439|2.353144|2.516453|3.102380|5.561869|3.722763|8.246885|3.294461|3.693687|2.992219|4.549183|4.129482|2.570443|15.118494|3.515709|4.090815|3.118416|5.051083|3.529136|4.926353|5.641983|8.901183|17.725002|8.918672|5.641902|3.081288|2.663549|2.352982|2.326051|2.589253|3.019047|0.039621|0.041722|0.050815|0.055692|0.044298|0.069539|0.065464|0.064066|0.067860|0.096982|0.086737|0.079051|0.084924|0.121205|0.107583|0.097637|0.064111|0.083740|0.091575|0.124194|0.214329|0.500000| |1.590015|1.678405|1.906268|2.064405|1.904215|1.676986|2.460602|2.728166|3.484250|6.592542|4.828729|11.538401|4.315318|5.257404|3.953769|5.749812|5.394505|3.211334|18.467182|4.242031|4.883543|3.884671|6.606775|4.055798|5.627569|4.961691|5.655338|8.925540|17.729265|8.913405|3.492333|2.833747|2.491059|2.537593|2.979510|3.620882|0.040564|0.044096|0.054926|0.054812|0.044037|0.069800|0.069874|0.071680|0.071585|0.101705|0.101965|0.104238|0.101752|0.161838|0.178270|0.129867|0.076283|0.093290|0.097302|0.107650|0.124212|0.215241|0.500000| |1.370487|1.441350|1.602152|1.696862|1.582968|1.427295|1.944803|2.157166|2.584722|5.064828|3.541234|7.158915|3.683861|4.954288|4.425172|6.248197|7.061844|4.370286|23.437049|6.128456|7.618169|7.190776|12.544019|6.866296|8.888941|5.649671|4.959003|5.650024|8.938592|17.708764|5.445224|3.916520|3.265431|3.316549|4.106377|5.685114|0.035417|0.038361|0.046161|0.045117|0.037755|0.054192|0.054901|0.058506|0.057641|0.072603|0.074347|0.093994|0.088868|0.143440|0.170775|0.182120|0.108418|0.132115|0.141940|0.124029|0.107624|0.124304|0.216015|0.500000| |1.012114|1.041627|1.122248|1.179569|1.136390|1.052924|1.294921|1.384016|1.547700|2.921442|1.851984|3.499978|1.932001|2.275592|2.313344|3.664009|3.729476|2.825129|16.849825|4.702325|5.885273|5.121471|7.736467|7.067163|4.953983|4.674559|3.522485|3.001962|3.069995|3.749593|8.908340|17.693076|8.940683|5.657706|4.967522|5.652321|0.026646|0.027919|0.031775|0.032529|0.028427|0.036529|0.036077|0.037501|0.038006|0.044111|0.043319|0.050662|0.051325|0.067261|0.065792|0.085134|0.095649|0.126738|0.235684|0.151057|0.089926|0.071838|0.073987|0.098717|0.500000| |0.926006|0.954933|1.024163|1.067678|1.027019|0.957247|1.164046|1.227585|1.358347|2.524389|1.573999|2.975082|1.615632|1.846106|1.859216|3.009631|2.883075|2.181569|13.689083|3.439335|3.962152|3.412795|5.796895|4.099679|3.356178|3.211447|2.677414|2.392849|2.449487|2.841470|5.629788|8.918000|17.716009|8.914911|5.650173|4.954906|0.024468|0.025734|0.029088|0.029239|0.025838|0.032767|0.032675|0.033409|0.033505|0.038533|0.038384|0.043028|0.042801|0.053416|0.053908|0.063892|0.071521|0.081485|0.116194|0.097375|0.070181|0.059313|0.061298|0.077201|0.216338|0.500000| |0.938689|0.975050|1.048489|1.085913|1.035680|0.964697|1.186658|1.244288|1.379482|2.542181|1.582538|3.015215|1.603849|1.815715|1.802660|2.926327|2.740004|2.046038|13.020979|3.112181|3.498914|3.095331|5.636443|3.535673|3.082744|2.845582|2.478389|2.327322|2.450908|2.807855|4.928738|5.645982|8.917298|17.717367|8.900229|5.640458|0.024778|0.026377|0.029995|0.029312|0.025909|0.033256|0.033653|0.034018|0.033605|0.038880|0.039525|0.043165|0.041920|0.051653|0.054158|0.060273|0.064428|0.069145|0.091654|0.080756|0.064080|0.058320|0.062918|0.078772|0.124327|0.214524|0.500000| |1.047620|1.097718|1.191373|1.232560|1.162075|1.074620|1.362313|1.436221|1.616153|2.984766|1.885366|3.645891|1.898045|2.174574|2.121337|3.396009|3.211805|2.347418|14.716882|3.492251|3.944808|3.667405|7.084013|4.071509|3.704612|3.194418|2.814001|2.773791|3.088475|3.620360|5.639925|4.969439|5.655385|8.907931|17.717984|8.947358|0.027505|0.029689|0.034355|0.032783|0.028656|0.037997|0.038960|0.039374|0.038375|0.045275|0.046945|0.051253|0.048585|0.061108|0.066954|0.071261|0.070947|0.074980|0.096703|0.084968|0.070115|0.068681|0.080460|0.106362|0.107771|0.124143|0.214620|0.500000| 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