Version2.1 2021-01-14T05:25:43Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 07-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H]1CC(=O)N2[C@@H]([NH+]=C(N[C@@H]2N1)NCCc3c[nH]c4c3cccc4)c5ccc(cc5)SC C39357295 RHF 6-31G(d) (6D,7F) C[C@@H]1CC(=O)N2[C@@H]([NH+]=C(N[C@@H]2N1)NCCc3c[nH]c4c3cccc4)c5ccc(cc5)SC C01[X(C24H29N6O1S1)] 177 C1 542 CSc1ccc(cc1)[C@@H]1[NH+]=C(NCCc2c[nH]c3c2cccc3)N[C@H]2N1C(=O)C[C@H](N2)C CSc1ccc(cc1)[C@@H]1[NH+]=C(NCCc2c[nH]c3c2cccc3)N[C@H]2N1C(=O)C[C@H](N2)C CSc1ccc(cc1)[C@@H]2[NH+]=C(NCCc3c[nH]c4ccccc34)N[C@@H]5N[C@H](C)CC(=O)N25 InChIKey=KHGNHBJIEXRSNF-CHVDNLQBSA-O InChI=1S/C24H28N6OS/c1-15-13-21(31)30-22(16-7-9-18(32-2)10-8-16)28-23(29-24(30)27-15)25-12-11-17-14-26-20-6-4-3-5-19(17)20/h3-10,14-15,22,24,26-27H,11-13H2,1-2H3,(H2,25,28,29)/p+1/t15-,22-,24+/m1/s1 InChI=1/C24H28N6OS/c1-15-13-21(31)30-22(16-7-9-18(32-2)10-8-16)28-23(29-24(30)27-15)25-12-11-17-14-26-20-6-4-3-5-19(17)20/h3-10,14-15,22,24,26-27H,11-13H2,1-2H3,(H2,25,28,29)/p+1/t15-,22-,24+/m1/s1/fC24H29N6OS/h25,28-29H/q+1 C[C@@H]1CC(=O)N2[C@@H]([NH+]=C(N[C@@H]2N1)NCCc3c[nH]c4c3cccc4)c5ccc(cc5)SC C01[X(C24H29N6O1S1)] 177 C01 542 CSc1ccc(cc1)[C@@H]1[NH+]=C(NCCc2c[nH]c3c2cccc3)N[C@H]2N1C(=O)C[C@H](N2)C CS[C]1[CH][CH][C]([CH][CH]1)[C@@H]1[NH][C]([NH]CC[C]2=CN[C]3[C]2[CH][CH][CH][CH]3)[NH][C@H]2N1C(=O)C[C@H](N2)C CS[C]1[CH][CH][C]([CH][CH]1)[C@@H]2N[C](NCCC3=CN[C]4[CH][CH][CH][CH][C]34)N[C@@H]5N[C@H](C)CC(=O)N25 InChIKey=MFJWQDFQSQCRLZ-CHVDNLQBSA-N InChI=1S/C24H29N6OS/c1-15-13-21(31)30-22(16-7-9-18(32-2)10-8-16)28-23(29-24(30)27-15)25-12-11-17-14-26-20-6-4-3-5-19(17)20/h3-10,14-15,22,24-29H,11-13H2,1-2H3/t15-,22-,24+/m1/s1 InChI=1/C24H29N6OS/c1-15-13-21(31)30-22(16-7-9-18(32-2)10-8-16)28-23(29-24(30)27-15)25-12-11-17-14-26-20-6-4-3-5-19(17)20/h3-10,14-15,22,24-29H,11-13H2,1-2H3/t15-,22-,24+/m1/s1 3231.5394971557 -1724.6425197 1-A 22325.5129 119 423 542 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.02265 -20.64908 -15.76046 -15.75795 -15.75420 -15.71662 -15.69100 -15.68559 -11.55399 -11.48321 -11.46429 -11.45389 -11.40376 -11.38231 -11.36141 -11.35413 -11.35112 -11.34129 -11.34123 -11.33807 -11.33755 -11.33604 -11.32834 -11.32699 -11.32606 -11.31833 -11.31128 -11.30828 -11.30447 -11.30374 -11.30006 -11.29546 -9.03269 -6.71573 -6.71406 -6.71220 -1.53921 -1.51591 -1.43381 -1.39561 -1.38497 -1.35933 -1.32312 -1.26304 -1.21354 -1.19771 -1.17973 -1.17303 -1.13087 -1.11925 -1.11306 -1.08243 -1.07897 -1.06855 -1.05391 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5.2091 0.3252 2.1772 3.1470 5.1891 0.0544 5.4246 2.4769 7.5658 0.0950 3.2813 0.9310 9.9627 5.6728 5.6802 3.8692 19.9952 8.7504 28.6459 6.1103 0.7039 1.4934 33.6164 1.6472 14.6655 6.4635 9.9589 11.0424 13.5844 4.0969 24.3140 2.9515 13.1314 4.5675 6.9723 6.4061 7.0866 34.3366 10.0147 6.1643 19.3883 9.7089 6.9505 4.3232 5.5637 9.9903 25.1034 5.5645 6.7703 2.7121 5.4777 9.1766 9.8740 3.8124 2.1562 45.5678 1.8390 5.6348 25.4507 5.4195 18.6914 12.5454 4.5444 20.9495 7.9310 8.8738 4.7048 1.9823 4.6785 1.4996 61.5848 7.0560 6.0948 31.6681 202.4408 16.9269 5.5717 7.0972 61.7697 80.6361 75.1197 106.9398 70.7129 114.4329 84.2809 31.0265 68.9617 47.3463 47.5475 16.6828 94.3606 71.8603 115.0784 62.3900 46.6291 64.8389 86.8346 67.3238 79.6561 251.1315 85.2988 88.8430 81.5707 15.5213 17.4635 78.1735 121.9084 0.7398 0.7479 0.7497 0.7499 0.6984 0.7385 0.7483 0.6631 0.6739 0.7441 0.7431 0.7262 0.6970 0.3833 0.4515 0.7192 0.5467 0.6162 0.2956 0.0718 0.7500 0.5809 0.1893 0.1164 0.3848 0.3206 0.6696 0.5317 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0.7448 0.7157 0.8571 0.3780 0.7796 0.7096 0.3518 0.6014 0.8525 0.8568 0.6118 0.5394 0.3276 0.1407 0.0432 0.0710 0.0657 0.4033 0.6600 0.8397 0.3017 0.8287 0.7595 0.6245 0.8172 0.7768 0.6546 0.6824 0.5450 0.7220 0.8571 0.2794 0.2277 0.3719 0.5029 0.4305 0.6587 0.4706 0.2637 0.3966 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 6 6 1 6 6 8 7 6 1 7 1 6 7 6 1 7 7 6 6 6 6 7 1 6 6 6 6 6 6 6 6 6 6 6 6 16 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 14.00307 1.00783 12.00000 14.00307 12.00000 1.00783 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 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 12336.3335 30740.5630 38309.4635 1.00000 0.00171 0.00148 -0.00174 0.99988 0.01522 -0.00146 -0.01522 0.99988 1 0.00702 0.00282 0.00226 0.14629 0.05871 0.04711 13.37 18.55 31.23 43.52 51.30 57.33 66.93 82.73 115.36 138.39 152.33 181.82 203.66 224.66 236.51 266.91 307.54 328.14 351.28 357.64 368.98 373.92 380.44 393.39 405.86 423.73 478.17 531.91 546.91 573.68 628.19 640.46 652.38 665.28 671.95 683.72 705.66 721.91 733.55 747.03 778.95 800.06 845.54 856.33 874.85 912.10 923.14 968.40 981.50 988.95 1006.36 1027.00 1072.36 1112.71 1122.28 1146.88 1153.09 1173.26 1182.69 1196.81 1213.80 1228.65 1254.29 1293.66 1322.06 1343.28 1356.02 1371.98 1381.52 1388.05 1389.45 1424.50 1470.70 1501.84 1510.28 1531.26 1553.62 1561.34 1574.73 1580.90 1587.43 1597.68 1600.27 1600.95 1624.16 1652.08 1667.62 1707.17 1711.81 1727.98 1732.30 1745.20 1763.34 1774.42 1788.97 1798.31 1812.03 1850.69 1863.46 1868.91 1889.53 1907.94 1915.47 1918.53 1942.26 1970.82 1982.06 2002.45 2037.60 2055.86 2071.57 2080.60 2083.70 2087.21 2113.83 2132.04 2165.24 2168.29 2179.28 2191.71 2205.60 2209.34 2241.95 2257.19 2267.95 2279.70 2290.59 2312.72 2328.91 2338.78 2341.96 2350.15 2351.37 2355.10 2363.67 2381.54 2393.14 2395.18 2401.37 2413.53 2512.21 2538.13 2558.99 2564.57 2601.26 2624.93 2632.97 2890.17 4526.91 4557.90 4593.16 4624.37 4654.84 4654.91 4663.50 4673.26 4719.09 4719.75 4745.43 4754.00 4772.91 4784.06 4789.00 4815.52 4831.37 4842.45 4844.73 4860.89 4866.76 4881.73 4915.02 4940.64 5392.76 5523.12 5526.31 5541.31 5630.66 0.549999 0.577574 0.578518 0.486934 -1724.092521 -1724.064946 -1724.064002 -1724.155586 3.071742D-04 MUNgauss RevisionA2.0 retrievium 14-Jan-2021 DUDE C[C@@H]1CC(=O)N2[C@@H]([NH+]=C(N[C@@H]2N1)NCCc3c[nH]c4c3cccc4)c5ccc(cc5)SC C39357295 RHF 6-31G(d) (6D,10F) C1 449.212357 |X|Y|Z| 123.435093 74.830146 38.597213 70.907210 28 6 7 22 6 |36.858105| |12.520839|36.858105| |8.908158|17.446035|0.500000| |7.530776|12.500923|0.247484|36.858105| |4.926248|7.579645|0.189356|12.632496|36.858105| |3.926834|5.353392|0.144678|7.986419|16.016474|73.516695| |4.470821|6.721857|0.168190|7.774198|13.660002|15.047904|53.358707| |3.344098|4.499804|0.121242|5.045107|7.906422|12.795614|17.802867|36.858105| |3.155147|4.213201|0.120296|4.660953|7.145285|13.029223|12.361946|17.617161|0.500000| |3.027851|3.888647|0.105366|3.954389|5.201431|8.259589|10.905589|12.794500|0.255628|53.358707| |2.616042|3.243905|0.088974|3.330129|4.265713|7.179276|7.919576|9.083322|0.217394|25.982424|0.500000| |3.186634|3.995223|0.104847|3.845439|4.619862|6.991133|9.500716|7.661694|0.163425|19.525796|0.265602|36.858105| |4.010671|5.198257|0.130963|4.641203|5.233660|7.352752|11.000256|6.696082|0.147358|11.479849|0.167818|14.337112|53.358707| |5.089293|7.851413|0.197353|6.637765|7.728387|9.675817|17.866933|7.751391|0.178003|9.978624|0.147450|7.997477|17.834887|36.858105| |4.585656|6.774878|0.201490|5.548191|6.475865|8.908616|12.450897|7.042823|0.185905|9.565255|0.147121|7.019731|12.635903|17.476568|0.500000| |7.812211|13.004003|0.250683|7.909751|6.768383|8.484670|10.879575|5.137151|0.125233|6.514795|0.106324|5.367632|11.175062|13.344674|0.250798|53.358707| |2.705350|3.203472|0.084437|3.080654|3.530419|5.560554|6.468472|5.230726|0.120977|11.210039|0.212259|14.470156|11.237043|5.275771|0.135433|5.608505|53.358707| |2.618785|2.966612|0.077639|2.766525|2.993749|4.699350|5.176201|3.856728|0.092863|7.028607|0.133926|7.693875|9.060790|4.424707|0.114021|5.205423|17.617803|36.858105| |2.166072|2.400179|0.063850|2.273828|2.453552|3.972433|4.059481|3.122896|0.077914|5.482588|0.112490|5.124483|5.976740|3.306404|0.088257|3.988119|10.541624|12.449472|36.858105| |2.036301|2.189825|0.058133|2.053460|2.152875|3.489475|3.453801|2.572669|0.065079|4.260268|0.085967|3.844971|4.890610|2.830067|0.075590|3.583518|6.836200|7.606937|12.703385|36.858105| |1.910658|2.030406|0.054590|1.882752|1.954031|3.183466|3.082624|2.283192|0.058932|3.712904|0.075020|3.246191|4.234188|2.544611|0.069488|3.267086|5.420417|5.444016|7.470159|14.086337|36.858105| |1.802343|1.877808|0.050256|1.744316|1.783084|2.912505|2.761893|2.017893|0.052205|3.184806|0.063969|2.738381|3.665870|2.260155|0.061262|2.978436|4.392218|4.216244|5.170360|8.541543|13.953246|53.358707| |1.697972|1.755371|0.047263|1.627360|1.654949|2.715256|2.535797|1.849385|0.048288|2.884023|0.058009|2.437756|3.287476|2.070222|0.056584|2.748128|3.817316|3.517228|4.151856|5.989499|9.068960|26.104919|0.500000| |1.831935|1.899430|0.050183|1.782261|1.815208|2.959855|2.806654|2.038395|0.052135|3.185765|0.063699|2.754950|3.703313|2.270933|0.060370|3.019090|4.426483|4.273159|5.090106|8.343034|8.545508|18.908149|0.250744|36.858105| |1.976277|2.084351|0.054651|1.971302|2.034390|3.301190|3.204583|2.345964|0.059071|3.740695|0.074808|3.318968|4.362395|2.584767|0.067771|3.373358|5.585834|5.735600|7.224577|13.162453|8.499632|11.599682|0.165621|13.619493|36.858105| |1.987939|2.088502|0.054055|2.011100|2.070976|3.366042|3.239991|2.360914|0.058773|3.685668|0.073469|3.239498|4.271715|2.552847|0.065592|3.361549|5.333503|5.103023|5.716956|7.259344|5.250914|7.296761|0.118697|7.895094|13.599105|36.858105| |1.854044|1.909934|0.049392|1.845230|1.871478|3.059956|2.861554|2.063330|0.051860|3.129087|0.062273|2.676270|3.608162|2.235192|0.057575|3.010572|4.200685|3.785209|4.066252|5.006468|4.174306|6.325813|0.109397|6.933759|7.966680|13.869996|36.858105| |1.733995|1.765440|0.046048|1.687825|1.697046|2.782768|2.568356|1.845317|0.046997|2.783460|0.055442|2.354437|3.209768|2.024026|0.052870|2.752104|3.637558|3.261260|3.540290|4.546175|4.188657|7.024907|0.126293|8.049898|6.865403|7.882754|13.559253|36.858105| |1.722271|1.758301|0.046289|1.660300|1.672590|2.739610|2.543006|1.832533|0.047010|2.796411|0.055804|2.373830|3.233711|2.032640|0.053796|2.749740|3.694893|3.385055|3.791978|5.257844|5.296986|10.336732|0.184923|13.661196|7.789271|6.747867|7.865546|13.867403|36.858105| |2.882912|3.635936|0.095617|4.304219|6.253670|11.595390|10.422963|12.572438|0.247737|10.612387|0.200987|5.679031|6.655818|5.117909|0.126907|5.416597|6.139335|3.428538|2.897086|2.408750|2.118500|2.580628|0.048258|1.944841|2.247053|2.319707|2.044934|1.809343|1.769603|36.858105| |2.836053|3.444570|0.087252|4.073083|5.316919|9.230757|8.604086|7.514432|0.155185|8.326360|0.157622|5.350438|6.455160|4.623352|0.109422|5.239640|6.172480|3.563706|3.001519|2.517570|2.174265|2.674924|0.049689|2.057156|2.407371|2.559876|2.258728|1.961408|1.885674|13.674632|36.858105| |2.423166|2.821370|0.072266|3.310539|4.040332|7.373856|5.971755|5.013856|0.116536|5.969368|0.120697|3.968376|4.859369|3.471379|0.085265|4.151711|4.950998|3.009753|2.663073|2.282509|1.983029|2.471990|0.046144|1.914834|2.222579|2.399115|2.155303|1.870187|1.779429|7.919706|13.848084|36.858105| |2.161250|2.500563|0.065667|2.921652|3.572558|6.898916|5.075586|4.416915|0.110677|5.225149|0.110114|3.349285|4.084527|2.989211|0.076229|3.578631|4.221048|2.586546|2.356027|2.033445|1.796698|2.243103|0.042226|1.718745|1.965473|2.090244|1.895268|1.670427|1.601808|6.805976|7.902030|13.620380|36.858105| |2.183402|2.573260|0.069067|3.007449|3.826498|7.752678|5.392660|5.020360|0.133392|5.681021|0.122375|3.429791|4.138477|3.114628|0.081534|3.636995|4.214686|2.535373|2.305831|1.975740|1.765440|2.187341|0.041348|1.652306|1.876287|1.954565|1.764706|1.574273|1.529467|7.902871|6.888000|7.953567|13.746745|36.858105| |2.476921|3.028701|0.082022|3.556960|4.880202|10.063468|7.135850|7.595131|0.205138|7.624958|0.161918|4.222309|5.013499|3.881313|0.102199|4.316402|4.904273|2.845399|2.517838|2.124344|1.897982|2.326052|0.043873|1.742566|1.985279|2.040352|1.821529|1.628702|1.596542|13.799788|7.983048|6.908606|7.916528|13.715660|36.858105| |1.845521|2.066438|0.054444|2.367128|2.734638|5.213483|3.801218|3.132890|0.080915|3.894613|0.082303|2.610533|3.251349|2.359537|0.060896|2.924271|3.413759|2.184616|2.050519|1.814102|1.616628|2.047377|0.038768|1.577675|1.783361|1.914175|1.770441|1.567634|1.491365|4.171091|4.761160|7.053662|10.754286|6.789846|4.669172|388.023441| |1.679678|1.876064|0.050357|2.135701|2.463582|4.820244|3.355496|2.785945|0.075238|3.447610|0.073665|2.272749|2.843413|2.102449|0.055551|2.606775|2.958975|1.902339|1.804859|1.606456|1.455141|1.843817|0.035199|1.403536|1.564768|1.650423|1.533697|1.380329|1.327328|3.541794|3.643303|4.614720|6.746085|6.192187|4.274142|74.977622|36.858105| |17.574312|8.835022|0.173770|6.835075|4.596685|6.566999|5.795565|3.213431|0.082271|3.992689|0.070701|3.142114|5.367898|4.711467|0.113108|9.668315|3.687063|2.656701|2.193521|2.077975|1.933071|2.502438|0.047939|1.893998|2.049529|2.091723|1.964873|1.826940|1.794827|2.858761|2.910055|2.505760|2.201210|2.180607|2.437322|13.460460|1.699733|0.500000| |17.548458|8.806044|0.213742|5.483006|4.081008|5.948099|5.343113|3.052319|0.080744|3.907579|0.069406|3.074499|5.280609|4.718434|0.123365|9.551294|3.613583|2.628672|2.182177|2.076466|1.973103|2.540607|0.049079|1.881062|2.007780|1.993058|1.861118|1.759846|1.765574|2.612428|2.561544|2.204236|1.978683|2.003056|2.264780|12.120411|1.559153|0.300667|0.500000| |17.578378|8.847110|0.213915|6.858592|4.528217|6.764215|5.310381|3.030138|0.081261|3.680782|0.066019|2.772589|4.551446|4.175621|0.108419|7.665409|3.243747|2.293335|1.937922|1.827222|1.725516|2.225934|0.043055|1.659194|1.777555|1.790840|1.683649|1.582619|1.570245|2.668273|2.604085|2.268303|2.058024|2.090713|2.350074|12.626605|1.635846|0.300400|0.302243|0.500000| |6.998245|8.874880|0.174296|17.543011|9.042571|11.556207|9.128137|4.582260|0.113058|5.045936|0.087675|3.716464|6.077890|5.766141|0.129094|9.624961|4.149277|2.778704|2.283012|2.077317|1.888434|2.400325|0.045559|1.825112|2.026538|2.101005|1.940039|1.761168|1.713043|4.196239|4.269454|3.515245|3.014871|2.993227|3.430123|17.537144|2.176520|0.208627|0.141794|0.173654|0.500000| |6.693701|8.784765|0.215955|17.625297|9.056275|13.450162|7.802829|4.233045|0.114519|4.572295|0.081098|3.207833|5.050700|4.979833|0.125503|7.706631|3.603024|2.398454|2.020545|1.841590|1.705955|2.164955|0.041508|1.619936|1.773197|1.806183|1.673585|1.543262|1.519429|3.759550|3.518879|2.984787|2.721634|2.831749|3.285370|16.002488|2.073755|0.164061|0.138381|0.198620|0.300820|0.500000| |4.095935|4.967198|0.120305|4.376477|4.580770|6.504929|8.621200|5.191784|0.117515|8.280198|0.133329|9.424221|25.970550|9.048691|0.185756|10.836374|10.029076|7.131103|4.534957|3.855181|3.287701|3.931518|0.071340|2.976492|3.539159|3.512343|2.956508|2.605501|2.604614|4.210777|4.368127|3.403732|2.823147|2.782233|3.248506|16.364441|1.992192|0.116500|0.111182|0.093289|0.122866|0.097617|0.500000| |7.348803|9.363603|0.218173|5.784670|5.066421|6.890167|8.002928|4.293683|0.108080|5.824555|0.097594|4.961617|10.198085|9.580301|0.226170|25.846050|5.441195|3.900672|2.990848|2.737584|2.535150|3.149005|0.059496|2.319913|2.561061|2.504851|2.245355|2.079028|2.103430|3.392417|3.291529|2.682826|2.344626|2.382022|2.785117|13.889633|1.755220|0.181801|0.216512|0.147012|0.147306|0.127402|0.213273|0.500000| |2.411571|2.828517|0.075301|2.791263|3.239561|5.273561|5.735559|4.942168|0.116944|10.367107|0.231891|9.605250|8.144938|4.364382|0.114745|4.733220|26.002185|8.968315|7.505267|4.755772|3.782467|4.182016|0.074541|3.098791|3.902674|3.769949|2.981252|2.574462|2.602616|4.554042|4.566685|3.784721|3.285230|3.284023|3.762457|18.912969|2.303741|0.067078|0.065406|0.060018|0.076837|0.067815|0.150163|0.092920|0.500000| |2.779418|3.135744|0.082984|2.816830|2.989924|4.643804|5.132618|3.698205|0.091126|6.589773|0.122353|7.049497|9.479653|4.672470|0.124206|5.593200|12.437670|17.613259|8.840741|6.851915|5.586080|5.857366|0.101429|4.151500|5.146997|4.392764|3.431005|3.086702|3.292470|3.166967|3.198379|2.697469|2.354158|2.342954|2.653665|14.198079|1.766612|0.077297|0.079164|0.067022|0.077436|0.067859|0.207536|0.121877|0.183210|0.500000| |2.716917|3.023743|0.077209|2.841317|3.010475|4.686807|5.129199|3.678686|0.087260|6.268541|0.117259|6.629472|8.684422|4.317000|0.106520|5.337672|12.345574|17.583710|8.831329|7.006201|4.951694|5.634936|0.095535|4.495717|6.268524|6.127631|4.420119|3.646594|3.650051|3.373869|3.670039|3.121599|2.620448|2.508227|2.771998|15.864465|1.911461|0.078370|0.075226|0.065661|0.081279|0.067989|0.214164|0.110001|0.192765|0.301020|0.500000| |2.047207|2.270119|0.060143|2.201889|2.400393|3.935919|3.942246|3.098806|0.076861|5.370038|0.113447|4.805402|5.440126|3.084446|0.081425|3.711430|9.761487|8.867563|17.503978|8.936550|5.762334|6.033356|0.101213|4.617314|6.617473|5.933865|4.178620|3.506551|3.606904|2.988746|3.161648|2.863355|2.527688|2.438359|2.616961|15.750162|1.927073|0.057930|0.056594|0.051273|0.061904|0.054568|0.113691|0.075694|0.221451|0.173882|0.210266|0.500000| |2.076236|2.314772|0.062659|2.185704|2.378407|3.887392|3.919140|3.076803|0.078574|5.478802|0.115531|4.892261|5.597130|3.193548|0.088077|3.793689|9.589006|8.881212|17.548425|8.931466|7.058471|6.460425|0.110483|4.338900|5.457990|4.384183|3.357325|3.042870|3.315787|2.811718|2.820446|2.505303|2.265693|2.262144|2.488420|14.008734|1.764758|0.057612|0.058349|0.051954|0.060077|0.054380|0.112778|0.079387|0.199825|0.215015|0.173873|0.302602|0.500000| |1.868981|1.995198|0.054324|1.840802|1.918108|3.137835|3.019857|2.253115|0.058938|3.678276|0.074824|3.160663|4.101585|2.503397|0.069767|3.186646|5.182618|4.916551|6.453704|8.683354|17.779786|12.234473|0.213194|5.884957|5.780177|4.083062|3.381073|3.409438|4.179018|2.067315|2.083952|1.895569|1.736431|1.727210|1.867671|11.081634|1.418251|0.051940|0.053864|0.047075|0.050746|0.046549|0.086348|0.069039|0.101120|0.146607|0.118979|0.139546|0.196545|0.500000| |2.069193|2.203860|0.056686|2.153374|2.246410|3.650571|3.551720|2.612289|0.064097|4.098952|0.081859|3.624496|4.670547|2.751897|0.069756|3.568850|6.071214|5.610649|6.015317|6.421242|4.544801|5.897069|0.098896|5.607099|8.812270|17.692592|8.956699|5.616951|4.885076|2.607790|2.942322|2.758968|2.361235|2.179376|2.268454|15.259357|1.818587|0.060646|0.056932|0.051696|0.062853|0.053379|0.106572|0.072588|0.120806|0.126088|0.195981|0.188597|0.125287|0.102787|0.500000| |1.823734|1.871438|0.048148|1.831469|1.853047|3.042851|2.805700|2.019204|0.050644|3.011296|0.059920|2.540021|3.430574|2.156304|0.055166|2.920059|3.909284|3.378107|3.516491|4.032121|3.409595|5.012598|0.089582|4.984304|5.652874|8.965952|17.724244|8.879366|5.630842|2.033133|2.277633|2.206860|1.933227|1.778157|1.815851|12.996717|1.569838|0.054092|0.050420|0.046212|0.053981|0.046267|0.077892|0.059824|0.077654|0.084742|0.110018|0.102699|0.082079|0.079530|0.216192|0.500000| |1.636801|1.650812|0.043077|1.584877|1.583341|2.608380|2.367167|1.695484|0.043390|2.521328|0.050232|2.102731|2.883197|1.851492|0.048427|2.539179|3.187268|2.774413|2.954139|3.619499|3.423381|5.630782|0.106503|5.691381|4.948918|5.636854|8.878348|17.725417|8.985419|1.671962|1.812543|1.744234|1.566959|1.474169|1.515724|10.566648|1.313081|0.048035|0.046103|0.041769|0.046060|0.040516|0.064660|0.053154|0.062910|0.073626|0.085456|0.081842|0.072152|0.080371|0.124099|0.215602|0.500000| |1.620250|1.641625|0.043465|1.545814|1.549521|2.547693|2.334142|1.679538|0.043451|2.541515|0.050775|2.130200|2.917691|1.865157|0.049766|2.538020|3.261421|2.917628|3.228585|4.292341|4.614823|9.126147|0.187911|8.824825|5.568325|4.886732|5.599984|8.908953|17.717575|1.618386|1.710378|1.618972|1.470286|1.411127|1.471450|9.782154|1.235129|0.046729|0.046369|0.041268|0.044142|0.039557|0.064700|0.054154|0.063958|0.080438|0.085684|0.084975|0.081094|0.106697|0.106370|0.123781|0.215189|0.500000| |3.125098|3.786815|0.092915|4.386433|5.428257|8.635008|9.279061|6.931269|0.140034|8.340670|0.148436|6.050979|7.675315|5.230290|0.117205|6.039091|6.897695|4.052979|3.275522|2.755152|2.347699|2.892568|0.053356|2.247600|2.660499|2.862518|2.506622|2.151567|2.056412|8.870315|17.702542|8.992908|5.638355|4.958996|5.658306|28.120318|3.077021|0.090886|0.078208|0.077936|0.132540|0.101546|0.150080|0.104031|0.134675|0.100101|0.120468|0.094910|0.083401|0.061804|0.092411|0.070243|0.054938|0.051434|0.500000| |2.331739|2.644519|0.067071|3.058536|3.540029|6.299004|5.175823|4.089623|0.096375|5.100896|0.102392|3.586469|4.498624|3.153073|0.077086|3.902849|4.628578|2.926806|2.616372|2.282208|1.973163|2.487087|0.046359|1.952656|2.270228|2.504831|2.274849|1.953801|1.833153|5.641827|8.966959|17.721838|8.884310|5.652851|4.970947|48.488411|4.248155|0.068076|0.059113|0.060585|0.092473|0.076833|0.090488|0.070820|0.097581|0.072437|0.086423|0.078803|0.067346|0.051879|0.080735|0.065717|0.050826|0.046181|0.217711|0.500000| |1.986548|2.309742|0.062816|2.665415|3.300021|6.750238|4.548872|4.113991|0.114843|4.805769|0.104668|2.943865|3.590093|2.715369|0.072539|3.218277|3.677785|2.256057|2.088817|1.808940|1.634373|2.033116|0.038658|1.528354|1.718166|1.779697|1.619212|1.457229|1.420244|5.655467|4.964452|5.638889|8.881285|17.771352|8.972612|45.136861|7.303965|0.054822|0.050955|0.053387|0.073078|0.071166|0.067390|0.059307|0.079769|0.058451|0.061648|0.061201|0.057479|0.044659|0.054575|0.045295|0.038069|0.036603|0.107705|0.123859|0.500000| |2.414064|2.961481|0.082524|3.418598|4.672411|9.952797|6.652479|7.039807|0.227655|7.187978|0.154945|3.917051|4.702523|3.736015|0.102746|4.142039|4.543646|2.663584|2.378310|2.016811|1.827022|2.235477|0.042409|1.656856|1.868558|1.894352|1.696257|1.533447|1.516052|8.926191|5.657219|4.969961|5.649583|8.952193|17.705975|27.463370|3.813839|0.064879|0.061756|0.064204|0.088807|0.089588|0.083748|0.075095|0.096346|0.070293|0.070987|0.067798|0.066414|0.050470|0.057762|0.046691|0.039697|0.039040|0.124052|0.107822|0.218435|0.500000| |1.555121|1.714617|0.046005|1.934731|2.185960|4.225960|2.969485|2.417156|0.065282|3.036644|0.064587|2.037478|2.571207|1.893309|0.050099|2.377416|2.681009|1.751793|1.676996|1.509200|1.372709|1.751141|0.033528|1.335930|1.480709|1.566304|1.468539|1.326233|1.271679|2.974697|3.100907|3.850706|5.087972|4.595874|3.445104|57.850690|17.613122|0.043860|0.040252|0.042198|0.055026|0.052422|0.050495|0.044774|0.057809|0.045289|0.049087|0.049760|0.045486|0.037117|0.047721|0.041932|0.035221|0.032962|0.075033|0.103234|0.143814|0.087103|0.500000| |1.737209|1.945171|0.052386|2.244025|2.597422|5.199909|3.452951|2.843628|0.077844|3.426716|0.072339|2.241339|2.838642|2.139496|0.056666|2.662676|2.870908|1.845286|1.733515|1.546952|1.407998|1.785362|0.034160|1.354617|1.503939|1.578907|1.469722|1.328939|1.281631|3.597567|3.599569|4.403805|6.303895|6.326809|4.435194|55.955764|17.617408|0.048633|0.044547|0.047337|0.063204|0.061246|0.055024|0.049566|0.061363|0.048033|0.051468|0.050872|0.047189|0.038229|0.048083|0.041692|0.035156|0.033214|0.084316|0.110454|0.217052|0.112096|0.301003|0.500000| 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