Version2.1 2020-12-16T13:17:38Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 03-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCSc1nc2n(n1)[C@@H](C(=C(N2)C)C(=O)Nc3ccc(cc3)C)c4ccc(cc4)N(C)C C40983043 RHF 6-31G(d) (6D,7F) CCCSc1nc2n(n1)[C@@H](C(=C(N2)C)C(=O)Nc3ccc(cc3)C)c4ccc(cc4)N(C)C C01[X(C25H30N6O1S1)] 183 C1 559 CCCSc1nn2c(n1)NC(=C([C@H]2c1ccc(cc1)N(C)C)C(=O)Nc1ccc(cc1)C)C CCCSc1nn2c(n1)NC(=C([C@H]2c1ccc(cc1)N(C)C)C(=O)Nc1ccc(cc1)C)C CCCSc1nn2[C@H](c3ccc(cc3)N(C)C)C(=C(C)Nc2n1)C(=O)Nc4ccc(C)cc4 InChIKey=AXVNLCKJWXPNFN-JOCHJYFZSA-N InChI=1S/C25H30N6OS/c1-6-15-33-25-28-24-26-17(3)21(23(32)27-19-11-7-16(2)8-12-19)22(31(24)29-25)18-9-13-20(14-10-18)30(4)5/h7-14,22H,6,15H2,1-5H3,(H,27,32)(H,26,28,29)/t22-/m1/s1 InChI=1/C25H30N6OS/c1-6-15-33-25-28-24-26-17(3)21(23(32)27-19-11-7-16(2)8-12-19)22(31(24)29-25)18-9-13-20(14-10-18)30(4)5/h7-14,22H,6,15H2,1-5H3,(H,27,32)(H,26,28,29)/t22-/m1/s1/f/h26-27H CCCSc1nc2n(n1)[C@@H](C(=C(N2)C)C(=O)Nc3ccc(cc3)C)c4ccc(cc4)N(C)C C01[X(C25H30N6O1S1)] 183 C01 559 CCCSc1nn2c(n1)NC(=C([C@H]2c1ccc(cc1)N(C)C)C(=O)Nc1ccc(cc1)C)C CCCS[C]1[N][C]2[N@@]([N]1)[C@H]([C]1[CH][CH][C]([CH][CH]1)N(C)C)C(=C(N2)C)C(=O)N[C]1[CH][CH][C]([CH][CH]1)C CCCS[C]1[N][C]2NC(=C([C@@H]([C]3[CH][CH][C]([CH][CH]3)N(C)C)N2[N]1)C(=O)N[C]4[CH][CH][C](C)[CH][CH]4)C InChIKey=AXVNLCKJWXPNFN-JOCHJYFZSA-N InChI=1S/C25H30N6OS/c1-6-15-33-25-28-24-26-17(3)21(23(32)27-19-11-7-16(2)8-12-19)22(31(24)29-25)18-9-13-20(14-10-18)30(4)5/h7-14,22H,6,15H2,1-5H3,(H,27,32)(H,26,28,29)/t22-/m1/s1 InChI=1/C25H30N6OS/c1-6-15-33-25-28-24-26-17(3)21(23(32)27-19-11-7-16(2)8-12-19)22(31(24)29-25)18-9-13-20(14-10-18)30(4)5/h7-14,22H,6,15H2,1-5H3,(H,27,32)(H,26,28,29)/t22-/m1/s1/f/h26-27H 3422.7500784344 -1763.2404966 1-A 22446.9628 123 436 559 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 10.4330 12.3223 14.3152 19.1270 21.1697 25.8797 30.1520 51.1101 52.8738 57.9538 62.0023 67.7674 86.5032 102.7192 118.4561 128.1924 141.5214 153.7426 161.0336 165.7847 179.3837 186.4780 210.1005 233.0480 245.6651 247.7298 260.7111 265.6496 295.2538 311.7792 331.8586 338.9316 361.7725 382.2585 388.7887 401.0986 413.2074 422.8518 452.8562 457.6484 462.2898 468.4236 480.5362 502.1067 514.5983 554.8528 574.8625 577.8896 590.9839 605.4426 612.8836 655.7404 677.3845 700.0084 702.1676 734.2584 770.5909 785.2115 799.4501 807.3431 808.0371 821.6429 835.6895 841.7738 871.1258 887.8030 906.5137 915.7151 921.1647 922.6103 925.9521 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0.17717 0.05833 0.04737 15.01 17.73 20.60 27.52 30.46 37.24 43.38 73.54 76.07 83.38 89.21 97.50 124.46 147.79 170.43 184.44 203.62 221.20 231.69 238.53 258.09 268.30 302.29 335.30 353.46 356.43 375.11 382.21 424.80 448.58 477.47 487.65 520.51 549.98 559.38 577.09 594.51 608.39 651.56 658.45 665.13 673.96 691.38 722.42 740.39 798.31 827.10 831.45 850.29 871.10 881.80 943.46 974.61 1007.16 1010.26 1056.43 1108.71 1129.74 1150.23 1161.59 1162.59 1182.16 1202.37 1211.12 1253.36 1277.35 1304.27 1317.51 1325.35 1327.43 1332.24 1360.57 1362.70 1370.03 1403.09 1434.08 1497.19 1535.31 1549.53 1562.84 1573.71 1584.31 1589.14 1591.11 1595.49 1605.21 1606.74 1679.04 1688.34 1691.16 1703.07 1706.55 1715.94 1737.21 1738.23 1764.72 1789.30 1805.50 1837.08 1860.99 1864.01 1888.28 1891.79 1901.18 1915.29 1932.63 1949.92 1964.28 1981.80 1997.41 2025.05 2027.99 2038.25 2080.99 2081.79 2097.03 2112.79 2130.53 2145.88 2191.69 2197.63 2236.08 2252.97 2253.34 2257.48 2268.79 2291.95 2316.07 2348.32 2349.23 2352.64 2353.18 2357.01 2358.18 2358.78 2360.37 2364.71 2370.75 2380.68 2382.11 2394.88 2420.65 2435.72 2449.12 2462.18 2535.27 2545.93 2564.76 2580.36 2619.39 2625.78 2717.96 2803.70 4555.84 4568.53 4603.56 4604.88 4615.48 4619.12 4658.54 4682.27 4687.55 4689.97 4692.68 4696.66 4699.31 4702.28 4711.94 4714.46 4749.24 4772.65 4773.89 4805.04 4825.18 4827.55 4829.71 4839.45 4843.75 4912.44 4918.81 4977.78 5585.86 5589.07 0.560195 0.591663 0.592607 0.489443 -1762.680302 -1762.648833 -1762.647889 -1762.751054 3.460171D-04 MUNgauss RevisionA2.0 retrievium 16-Dec-2020 DUDE CCCSc1nc2n(n1)[C@@H](C(=C(N2)C)C(=O)Nc3ccc(cc3)C)c4ccc(cc4)N(C)C C40983043 RHF 6-31G(d) (6D,10F) C1 462.220182 |X|Y|Z| 70.650605 128.128988 32.224694 66.320944 23 6 7 18 5 |36.858105| |12.460508|36.858105| |7.534835|12.464948|36.858105| |4.604606|6.957996|10.461162|388.023441| |3.599022|4.599649|6.887661|76.980317|36.858105| |3.603919|4.269187|6.485352|49.171838|14.015610|53.358707| |2.892663|3.314948|4.505560|35.908408|9.247325|19.898953|36.858105| |2.627780|3.078418|4.008233|35.897773|9.216655|11.934893|14.452158|53.358707| |2.915555|3.596181|4.751566|50.867186|14.744753|11.553150|8.745060|19.040068|53.358707| |2.190320|2.502635|3.075050|26.534412|5.486290|7.251447|7.674241|17.883422|10.451046|36.858105| |2.107817|2.415232|2.914995|25.484486|4.980378|6.286561|6.022552|12.618566|9.519253|17.612265|0.500000| |2.044800|2.264011|2.753663|22.039749|4.325020|6.419782|6.937142|10.797257|6.987571|12.478945|0.248590|36.858105| |2.169322|2.361142|2.912290|22.128288|4.352182|7.169262|8.006046|9.532153|6.381684|7.552795|0.164993|14.299276|36.858105| |2.561294|2.803478|3.615696|26.706468|5.595052|10.836202|13.978389|11.146571|7.468202|6.595827|0.144989|8.042529|13.644229|53.358707| |1.970610|2.086259|2.502119|18.239008|3.328332|5.424072|5.177478|6.160230|4.686021|4.818188|0.116710|7.494942|12.650940|10.744659|36.858105| |1.766096|1.933434|2.275479|18.061681|3.287838|4.694187|4.492816|6.917304|5.238733|7.567689|0.196929|12.673586|7.612650|6.860318|6.192353|36.858105| |1.694820|1.860844|2.163842|17.352571|3.078385|4.258678|3.907267|6.157190|4.948621|6.503647|0.201636|8.105987|5.582871|5.634261|4.782718|15.879336|73.516695| |1.636175|1.768161|2.054586|15.961637|2.819972|4.074205|3.762559|5.494107|4.343464|5.377005|0.135014|7.878665|6.234267|5.920487|5.981263|14.014631|14.953968|53.358707| |1.459478|1.565400|1.784967|13.769448|2.345442|3.336448|2.944334|4.272740|3.565450|3.964893|0.105101|5.026576|4.302640|4.492063|4.408443|7.624810|11.587717|18.370706|36.858105| |1.381274|1.470113|1.662376|12.670672|2.121921|3.029403|2.617305|3.720960|3.168937|3.296337|0.085816|3.997330|3.640532|3.991300|3.832458|5.161991|7.923588|10.845337|13.701007|36.858105| |1.255755|1.329676|1.484799|11.262492|1.845568|2.611303|2.203804|3.125511|2.733572|2.700132|0.071971|3.132890|2.898401|3.299381|3.062713|3.895194|6.421360|7.062831|7.907384|13.790292|36.858105| |1.200845|1.272457|1.413292|10.755378|1.747710|2.450118|2.052422|2.933905|2.595709|2.535390|0.069459|2.890747|2.646127|3.031635|2.774000|3.649590|6.396591|6.142751|6.774930|7.891544|13.714431|36.858105| |1.252762|1.334525|1.488646|11.421802|1.870210|2.610028|2.205128|3.191552|2.806816|2.814387|0.078821|3.231181|2.881923|3.244523|2.983402|4.303203|7.967187|6.973843|7.948842|6.945557|8.032402|13.728877|36.858105| |1.377434|1.476904|1.668004|12.901815|2.160022|3.027508|2.619423|3.834462|3.285601|3.511716|0.098301|4.207139|3.606518|3.894079|3.677670|6.247587|11.634654|10.488812|13.713537|7.958316|6.883130|7.840390|13.747557|36.858105| |1.096446|1.156259|1.271149|9.620684|1.536884|2.144143|1.765166|2.509725|2.262151|2.119015|0.058430|2.352705|2.189047|2.578197|2.291046|2.838494|5.049267|4.523711|4.407020|5.009107|7.535005|12.607392|7.534631|4.993000|36.858105| |2.026874|2.312370|2.761059|23.954285|4.537911|5.778879|5.404591|10.496501|8.330368|12.528831|0.248847|7.525969|5.335522|6.572570|3.885897|6.180102|9.537174|6.982972|3.977112|3.435969|2.817751|2.606224|2.830026|3.456600|2.182646|36.858105| |1.827753|2.078710|2.407613|20.905940|3.664281|4.556554|3.979733|7.195972|6.517569|7.547412|0.204955|5.418482|4.029257|4.942628|3.187748|5.339478|9.224520|6.217962|3.859437|3.330299|2.817337|2.671534|2.932138|3.524112|2.254796|13.773821|36.858105| |1.690559|1.907483|2.162730|18.456558|3.072472|3.848655|3.228557|5.432019|5.155053|5.001222|0.133493|4.059561|3.259407|4.088616|2.713807|4.116103|7.076248|5.263626|3.486198|3.179597|2.764355|2.605263|2.774110|3.192338|2.238942|7.880283|13.761479|36.858105| |1.700730|1.907411|2.157562|18.092320|2.982039|3.799409|3.146154|5.077353|4.818563|4.375647|0.110191|3.722354|3.136685|4.027223|2.647154|3.640716|5.983274|4.903218|3.249941|3.114989|2.706207|2.478390|2.551829|2.882253|2.148571|6.723185|7.865081|13.630641|36.858105| |1.861842|2.088305|2.408965|20.036406|3.419013|4.452794|3.752655|5.971987|5.466348|4.989560|0.116524|4.273611|3.676133|4.810577|3.026042|3.904267|6.097029|5.292056|3.336535|3.216874|2.715786|2.432112|2.490041|2.855017|2.089550|7.881771|6.927104|7.975662|13.569751|36.858105| |2.045889|2.314287|2.754939|23.227473|4.283034|5.647225|5.090158|8.576927|7.156810|7.487815|0.155538|5.950516|4.896394|6.383955|3.724132|4.902905|7.326943|6.268647|3.663850|3.376350|2.769007|2.489126|2.606482|3.089917|2.105086|13.717394|8.044002|6.925194|7.862685|13.818038|36.858105| |1.560127|1.733066|1.920560|15.808303|2.504555|3.209613|2.584052|4.016634|3.903712|3.317004|0.085821|2.945001|2.576395|3.346740|2.254060|2.933426|4.908918|4.049054|2.804905|2.782175|2.507146|2.307032|2.325220|2.536267|2.051568|4.511183|5.150273|7.827796|13.708917|7.821775|5.154027|53.358707| |1.422709|1.573070|1.722854|14.113251|2.200115|2.815632|2.253522|3.490410|3.416243|2.903870|0.077911|2.614890|2.284110|2.936899|2.034071|2.694844|4.654057|3.716357|2.669602|2.644400|2.457525|2.317407|2.338867|2.495502|2.095424|3.749288|4.522957|6.730528|7.813845|5.105076|3.924535|17.924244|36.858105| |1.521417|1.670325|1.840838|14.775819|2.317804|3.032472|2.415605|3.623756|3.499819|2.901764|0.073955|2.674072|2.421081|3.182016|2.163101|2.635585|4.337449|3.736979|2.607143|2.677332|2.432091|2.197209|2.162604|2.325956|1.974574|3.749959|3.925283|5.112865|7.809028|6.721438|4.526502|17.928127|7.735383|36.858105| |17.542539|8.770357|6.830074|30.288636|3.507458|4.934797|2.918725|3.555273|3.872613|2.180207|0.057520|2.054759|2.201379|3.565257|2.010601|1.769377|2.989886|2.251432|1.473675|1.403794|1.274108|1.211378|1.257092|1.381101|1.105492|2.033920|1.820456|1.692657|1.721883|1.903845|2.086676|2.154396|1.434342|1.558203|0.500000| |17.542594|8.770343|6.829311|30.285035|3.507534|4.919988|2.915506|3.557983|3.879440|2.184348|0.058703|2.065921|2.212866|3.560136|2.028637|1.785488|3.053929|2.244188|1.470131|1.386252|1.260452|1.208450|1.264420|1.391775|1.102822|1.989245|1.792303|1.645880|1.643950|1.795966|1.987489|2.045959|1.376767|1.462049|0.301491|0.500000| |17.553824|8.790822|5.483834|27.621486|3.060626|4.101674|2.498642|3.151985|3.491468|1.970307|0.053061|1.841144|1.934578|3.046930|1.772285|1.613067|2.768359|2.044116|1.351770|1.283903|1.174795|1.126984|1.173411|1.282245|1.034576|1.844689|1.685811|1.573530|1.583066|1.715706|1.860914|1.995260|1.345614|1.432030|0.301656|0.301667|0.500000| |8.852646|17.539257|8.854871|46.781175|4.304650|5.292860|3.101242|4.009331|4.727103|2.424562|0.064722|2.173415|2.240343|3.577267|1.976488|1.868239|3.192060|2.341720|1.529465|1.444489|1.309183|1.250400|1.306005|1.440333|1.138714|2.297328|2.078799|1.932812|1.951284|2.133758|2.330036|2.431204|1.615730|1.728045|0.210680|0.172886|0.212799|0.500000| |8.852546|17.539777|8.854011|46.770869|4.304996|5.274967|3.097523|4.013331|4.739628|2.430291|0.066411|2.186605|2.252435|3.572244|1.993547|1.887148|3.269871|2.333675|1.525559|1.425547|1.294499|1.247222|1.314193|1.452395|1.135832|2.233992|2.037485|1.864495|1.840697|1.985991|2.195175|2.279430|1.535250|1.600362|0.172885|0.210683|0.212792|0.303534|0.500000| |6.853490|8.807342|17.617912|56.421983|6.533432|9.241274|4.699443|5.498443|6.244800|3.103616|0.082521|2.841762|3.059564|5.220897|2.650487|2.341216|3.971867|2.855786|1.818184|1.682355|1.501498|1.434010|1.517764|1.705745|1.287730|2.700925|2.352824|2.090066|2.062317|2.292203|2.646770|2.491012|1.653798|1.749579|0.168690|0.203342|0.140181|0.173346|0.211323|0.500000| |6.853676|8.806090|17.621643|56.428606|6.531817|9.339343|4.712671|5.488088|6.215810|3.091649|0.079336|2.812948|3.029491|5.236971|2.610797|2.305322|3.834354|2.870648|1.824846|1.713850|1.524632|1.438872|1.505164|1.686254|1.291956|2.815416|2.417226|2.187932|2.222050|2.529148|2.894518|2.693692|1.755981|1.921046|0.203368|0.168695|0.140182|0.211278|0.173330|0.302674|0.500000| |2.660218|2.837242|3.648784|25.260776|4.949792|9.919845|9.467073|8.135065|6.198678|4.931677|0.116056|5.861736|9.174161|26.072403|7.523366|4.173345|6.299887|5.105527|2.963822|2.685802|2.258706|2.081930|2.209935|2.604130|1.790809|3.860270|3.052644|2.600033|2.582919|3.038066|3.828742|2.993984|1.948729|2.120405|0.076194|0.076566|0.064176|0.072934|0.073260|0.110263|0.109167|0.500000| |2.029951|2.126920|2.549041|18.152729|3.260150|5.392596|4.911743|5.664053|4.460913|4.201333|0.106094|5.877603|8.945936|9.808775|17.540985|4.969051|7.449275|6.290445|3.666410|3.222487|2.683073|2.490358|2.688633|3.231630|2.101590|3.356491|2.820361|2.416189|2.343955|2.638381|3.187932|2.753673|1.843971|1.942343|0.057294|0.058833|0.050585|0.055295|0.056666|0.076581|0.073289|0.217539|0.500000| |1.952091|2.045060|2.438533|17.461023|3.127365|5.135695|4.715058|5.510326|4.316121|4.181199|0.099959|5.905331|8.903305|9.584769|17.536323|5.006807|6.996509|7.180030|4.074335|3.781353|3.032976|2.680273|2.790101|3.334769|2.235655|3.599446|2.957445|2.591451|2.600724|3.024468|3.648965|3.050171|2.004354|2.195419|0.056015|0.055536|0.048803|0.054159|0.053730|0.070979|0.071983|0.198680|0.301777|0.500000| |1.784728|1.889365|2.225149|16.429346|2.925274|4.558165|4.223587|5.392077|4.212468|4.488640|0.112808|6.996095|8.813344|7.737150|17.677522|7.106553|9.657161|10.087276|5.456109|4.547641|3.556417|3.224141|3.523212|4.474721|2.597432|3.739938|3.183588|2.725818|2.624693|2.927145|3.514849|3.058476|2.056437|2.145266|0.050332|0.050922|0.045029|0.050014|0.050590|0.065056|0.063844|0.147647|0.302088|0.300785|0.500000| |1.685617|1.816609|2.120941|16.334409|2.902945|4.266627|3.964731|5.629622|4.409433|5.288432|0.125279|7.704579|6.692046|6.417027|6.444150|9.538642|10.935025|26.079583|9.326307|7.648169|4.922907|4.058096|4.291606|5.738486|3.083058|5.236895|4.417150|3.837417|3.760606|4.268380|5.111272|4.215648|2.765372|2.928149|0.047716|0.047010|0.042850|0.049256|0.048487|0.059815|0.061283|0.112408|0.132036|0.170560|0.206694|0.500000| |1.425686|1.514261|1.717844|13.015213|2.187400|3.153724|2.727881|3.823040|3.239890|3.327025|0.084165|4.041281|3.793355|4.208080|4.005199|4.841202|7.128918|10.009875|8.898074|17.686539|8.949290|5.632004|4.987183|5.649008|4.091397|3.521799|3.304694|3.188765|3.247757|3.474263|3.626915|3.948663|2.683503|2.865378|0.040500|0.039628|0.036729|0.041435|0.040509|0.048085|0.049661|0.078742|0.091842|0.114792|0.127736|0.234853|0.500000| |1.207688|1.272824|1.413729|10.649694|1.728094|2.447944|2.041875|2.869065|2.535394|2.426764|0.064277|2.769113|2.615361|3.047683|2.772337|3.285592|5.396218|5.745259|5.643793|8.974439|17.698329|8.905693|5.678311|4.955982|6.971389|2.554510|2.542773|2.543142|2.550252|2.570099|2.571957|3.287188|2.366056|2.398783|0.034154|0.033604|0.031461|0.034918|0.034335|0.039579|0.040483|0.058507|0.068086|0.078027|0.087270|0.116865|0.217612|0.500000| |1.202483|1.279979|1.419092|10.889454|1.763887|2.444785|2.042580|2.960383|2.641101|2.578164|0.073574|2.891014|2.591982|2.969384|2.667036|3.742062|7.228392|5.654757|5.666177|4.988126|5.682427|8.929668|17.697384|8.990174|6.987923|2.569304|2.696929|2.555498|2.328424|2.249207|2.347543|2.915207|2.184038|1.983355|0.033390|0.033767|0.031389|0.034765|0.035189|0.040261|0.039629|0.056540|0.068257|0.068943|0.086078|0.098218|0.108078|0.124400|0.500000| |1.417024|1.526266|1.727293|13.459582|2.260967|3.145917|2.728152|4.045796|3.469139|3.750844|0.109164|4.445259|3.718313|4.005584|3.700039|6.807428|14.912357|9.506792|8.912299|5.656964|4.965693|5.616944|8.925825|17.824308|4.086108|3.558171|3.664511|3.211579|2.820944|2.780611|3.064388|3.345215|2.425139|2.222282|0.039237|0.039893|0.036611|0.041177|0.041932|0.049318|0.048100|0.074079|0.092157|0.090388|0.123808|0.143025|0.124122|0.107717|0.217439|0.500000| |1.071728|1.133114|1.241278|9.444468|1.499929|2.074886|1.699926|2.435886|2.215436|2.056193|0.056859|2.235936|2.062230|2.453199|2.117842|2.669731|4.779438|4.183089|3.959430|4.445158|6.257584|8.832291|6.233981|4.424691|17.526586|2.152870|2.261201|2.287612|2.194790|2.098469|2.080946|2.893706|2.210332|2.040794|0.029994|0.029848|0.028153|0.031112|0.030950|0.034777|0.035008|0.047178|0.054006|0.057488|0.065694|0.079754|0.103878|0.167895|0.167176|0.103534|0.500000| |1.069123|1.125686|1.234313|9.323310|1.483071|2.067136|1.694566|2.405241|2.177469|2.019560|0.056292|2.236872|2.089254|2.469333|2.194725|2.691129|4.886238|4.166485|3.946606|4.195329|5.633649|8.836409|7.078000|4.692126|17.567919|2.049166|2.118761|2.082412|1.979062|1.924893|1.955926|2.565375|1.929640|1.804059|0.029858|0.029955|0.028060|0.030716|0.030822|0.034858|0.034705|0.047865|0.056678|0.058956|0.069154|0.078047|0.096742|0.142685|0.212586|0.111706|0.302191|0.500000| |1.070465|1.123389|1.232561|9.256070|1.473539|2.067481|1.694030|2.383290|2.150813|1.986295|0.054263|2.211845|2.094382|2.487391|2.219136|2.608918|4.555438|4.180133|3.942533|4.693834|7.061159|8.832659|5.641446|4.184172|17.563085|2.044055|2.083189|2.076319|2.026778|1.994200|2.002381|2.652877|1.973326|1.906843|0.030074|0.029906|0.028077|0.030750|0.030572|0.034668|0.034929|0.048348|0.056677|0.061043|0.069459|0.081193|0.111590|0.210957|0.143240|0.096684|0.302150|0.301839|0.500000| |1.778771|2.022158|2.326230|20.219215|3.490523|4.312932|3.727634|6.703485|6.199170|7.010784|0.227258|5.154052|3.819134|4.638364|3.070671|5.369000|10.275398|5.953105|3.789683|3.179212|2.737726|2.673330|3.016146|3.643124|2.264292|8.937477|17.707702|8.981713|5.629051|4.979469|5.686082|5.695697|3.956004|3.284844|0.048777|0.048776|0.045719|0.055753|0.055752|0.063873|0.063872|0.080542|0.076839|0.077588|0.086386|0.112149|0.085190|0.067957|0.078534|0.109484|0.063044|0.059860|0.057520|0.500000| |1.573905|1.768370|1.975097|16.741231|2.705760|3.384355|2.785897|4.586990|4.452867|4.109119|0.115174|3.453875|2.828264|3.552315|2.418715|3.621368|6.490915|4.663797|3.228547|2.959789|2.654439|2.560699|2.735629|3.072452|2.236277|5.655465|9.018704|17.785033|8.849945|5.645619|4.985300|9.645344|7.606634|4.645515|0.043580|0.042627|0.040988|0.049805|0.048406|0.053180|0.055056|0.063825|0.060644|0.064031|0.068225|0.092460|0.080827|0.067963|0.071178|0.086375|0.064339|0.058043|0.057187|0.220123|0.500000| |1.845944|2.049664|2.344472|19.002592|3.161652|4.199110|3.445417|5.193794|4.823985|4.094238|0.096691|3.691925|3.350052|4.492633|2.845110|3.366115|5.253681|4.693042|3.018772|3.010584|2.576022|2.283376|2.293227|2.579719|1.986867|5.652082|4.985761|5.648452|8.832812|17.779948|9.032351|9.653938|4.641390|7.594512|0.052966|0.049213|0.047353|0.058591|0.053656|0.061556|0.069388|0.080656|0.069328|0.081049|0.075883|0.107221|0.092307|0.069106|0.057604|0.069060|0.055412|0.050724|0.053330|0.108067|0.123520|0.500000| |2.197069|2.470225|2.996978|24.540874|4.658935|6.519305|5.989014|9.141016|7.304989|6.920130|0.140205|6.049501|5.505093|7.652785|4.115070|4.631970|6.760491|6.017684|3.467076|3.245324|2.655041|2.365888|2.455681|2.896316|2.009451|8.902620|5.683678|4.977461|5.627358|9.009361|17.693774|5.701126|3.284222|3.959644|0.062980|0.059278|0.054966|0.068794|0.064078|0.079906|0.089702|0.125714|0.097085|0.115357|0.103619|0.141923|0.098967|0.069159|0.061421|0.079459|0.054668|0.052002|0.053665|0.124436|0.108041|0.220665|0.500000| |1.368158|1.504369|1.652367|13.421561|2.114112|2.737698|2.216441|3.422146|3.283977|2.911478|0.078629|2.685638|2.326831|2.934052|2.093899|2.859264|4.966364|4.013723|2.961628|2.950452|2.768571|2.619842|2.633462|2.784933|2.359068|3.712182|4.537191|6.543251|6.868612|4.719185|3.785265|12.209656|17.478678|6.299752|0.038290|0.037000|0.035908|0.042602|0.040859|0.044449|0.046727|0.054068|0.052481|0.057113|0.059621|0.081984|0.081982|0.073645|0.067978|0.074327|0.069947|0.059800|0.061125|0.112574|0.212769|0.117757|0.088259|0.500000| |1.350828|1.484316|1.609637|13.029109|1.998020|2.570068|2.031312|3.089748|3.045677|2.513097|0.067422|2.298300|2.048671|2.659211|1.850447|2.356114|4.067315|3.276054|2.376969|2.394899|2.264686|2.137467|2.128163|2.232664|1.968178|3.132002|3.612866|4.896998|5.719625|4.236811|3.326720|12.533339|17.629242|7.541589|0.037913|0.036239|0.035662|0.042512|0.040207|0.042836|0.045666|0.049555|0.046912|0.051038|0.051877|0.068080|0.067858|0.061517|0.055521|0.060025|0.057933|0.050399|0.051962|0.089842|0.148678|0.113491|0.080097|0.300773|0.500000| |1.441276|1.604642|1.750903|14.540558|2.244511|2.826098|2.246288|3.523578|3.518196|2.920886|0.080068|2.569318|2.230715|2.885005|1.971453|2.635711|4.643715|3.539691|2.525288|2.446484|2.277040|2.185933|2.245444|2.405802|1.983191|3.732759|4.684436|6.958930|6.918705|4.617638|3.739233|12.389631|17.592290|5.739612|0.040114|0.038715|0.037941|0.045832|0.043791|0.046632|0.049125|0.053144|0.050054|0.053442|0.055234|0.072142|0.068105|0.060358|0.058990|0.066141|0.057958|0.051337|0.051603|0.117427|0.247386|0.113806|0.086758|0.300417|0.303893|0.500000| |1.619598|1.782770|1.965670|15.766933|2.456364|3.206659|2.521704|3.748675|3.665353|2.912017|0.073339|2.657195|2.444340|3.286262|2.168759|2.542832|4.156436|3.562016|2.436803|2.484996|2.241351|2.025224|2.003018|2.168140|1.821341|3.725392|3.731245|4.609414|6.893167|6.943800|4.680484|12.380723|5.742875|17.589626|0.046323|0.042944|0.042284|0.051628|0.047095|0.051388|0.057469|0.060985|0.054305|0.061559|0.058885|0.078302|0.074460|0.061430|0.051171|0.057965|0.051790|0.046544|0.049110|0.086574|0.113522|0.248017|0.117492|0.132203|0.156367|0.132477|0.500000| |1.420854|1.551927|1.689127|13.458798|2.070835|2.706060|2.129525|3.166908|3.094357|2.511937|0.065160|2.333082|2.131709|2.809783|1.932319|2.323016|3.881343|3.290914|2.341184|2.418963|2.250659|2.057369|2.012563|2.127133|1.882735|3.132340|3.326807|4.241847|5.718293|4.892464|3.614858|12.535507|7.552976|17.630516|0.040362|0.037915|0.037392|0.044701|0.041462|0.044626|0.048755|0.052582|0.048689|0.054432|0.053461|0.070767|0.071133|0.062247|0.051760|0.056509|0.054517|0.047904|0.050659|0.080093|0.113566|0.148575|0.089909|0.168331|0.250441|0.156117|0.303986|0.500000| |1.487392|1.619694|1.793920|14.195115|2.256394|3.010889|2.428370|3.594531|3.386486|2.912484|0.073500|2.774301|2.526566|3.272544|2.288391|2.770365|4.488251|4.051502|2.853454|3.012276|2.721379|2.402887|2.325703|2.494634|2.144199|3.718833|3.794559|4.739599|6.875880|6.530848|4.544902|12.209505|6.287653|17.474512|0.042454|0.039913|0.038793|0.046218|0.043012|0.047725|0.052239|0.060656|0.056517|0.065157|0.063469|0.089636|0.091432|0.075339|0.058498|0.065086|0.061446|0.053793|0.057852|0.088504|0.118274|0.211030|0.112649|0.163437|0.167445|0.132085|0.300370|0.300920|0.500000| 1761.580619 -10979.477818 4245.794537 -213.888243 -5185.990906 3422.750325 -1763.240581 2.000942 408B000000000010 44C8165806817EF5 444911021B95543F 41CDBF5300000000 37C16C2614EA0801 43A72F8397B631A5