Version2.0 2020-05-14T14:45:06Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 24-Jan-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H]1c2c(sc(n2)NC(=O)C[NH+](C)C)C[C@@]3([C@H]1[C@H]([C@H](CC3)[C@H](C)C(=O)NCC[NH+]4CCOCC4)O)C C03840945 RHF 6-31G(d) (6D,7F) C[C@@H]1c2c(sc(n2)NC(=O)C[NH+](C)C)C[C@@]3([C@H]1[C@H]([C@H](CC3)[C@H](C)C(=O)NCC[NH+]4CCOCC4)O)C C01[X(C26H45N5O4S1)] 237 C1 634 C[NH+](CC(=O)Nc1sc2c(n1)[C@@H](C)[C@H]1[C@](C2)(C)CC[C@@H]([C@@H]1O)[C@@H](C(=O)NCC[NH+]1CCOCC1)C)C C[NH+](CC(=O)Nc1sc2c(n1)[C@@H](C)[C@H]1[C@](C2)(C)CC[C@@H]([C@@H]1O)[C@@H](C(=O)NCC[NH+]1CCOCC1)C)C C[C@@H]([C@H]1CC[C@]2(C)Cc3sc(NC(=O)C[NH+](C)C)nc3[C@@H](C)[C@@H]2[C@H]1O)C(=O)NCC[NH+]4CCOCC4 InChIKey=HPTVALOUMRIBGB-XEHQGFEHSA-P InChI=1S/C26H43N5O4S/c1-16(24(34)27-8-9-31-10-12-35-13-11-31)18-6-7-26(3)14-19-22(17(2)21(26)23(18)33)29-25(36-19)28-20(32)15-30(4)5/h16-18,21,23,33H,6-15H2,1-5H3,(H,27,34)(H,28,29,32)/p+2/t16-,17-,18+,21+,23-,26+/m0/s1 InChI=1/C26H43N5O4S/c1-16(24(34)27-8-9-31-10-12-35-13-11-31)18-6-7-26(3)14-19-22(17(2)21(26)23(18)33)29-25(36-19)28-20(32)15-30(4)5/h16-18,21,23,33H,6-15H2,1-5H3,(H,27,34)(H,28,29,32)/p+2/t16-,17-,18+,21+,23-,26+/m0/s1/fC26H45N5O4S/h27-28,30-31H/q+2 C[C@@H]1c2c(sc(n2)NC(=O)C[NH+](C)C)C[C@@]3([C@H]1[C@H]([C@H](CC3)[C@H](C)C(=O)NCC[NH+]4CCOCC4)O)C C01[X(C26H45N5O4S1)] 237 C01 634 C[NH+](CC(=O)Nc1sc2c(n1)[C@@H](C)[C@H]1[C@](C2)(C)CC[C@@H]([C@@H]1O)[C@@H](C(=O)NCC[NH+]1CCOCC1)C)C C[NH](CC(=O)Nc1sc2c(n1)[C@@H](C)[C@H]1[C@](C2)(C)CC[C@@H]([C@@H]1O)[C@@H](C(=O)NCC[NH]1CCOCC1)C)C C[C@@H]([C@H]1CC[C@]2(C)Cc3sc(NC(=O)C[NH](C)C)nc3[C@@H](C)[C@@H]2[C@H]1O)C(=O)NCC[NH]4CCOCC4 InChIKey=MIFQYGBWJXFNIU-XEHQGFEHSA-N InChI=1S/C26H45N5O4S/c1-16(24(34)27-8-9-31-10-12-35-13-11-31)18-6-7-26(3)14-19-22(17(2)21(26)23(18)33)29-25(36-19)28-20(32)15-30(4)5/h16-18,21,23,30-31,33H,6-15H2,1-5H3,(H,27,34)(H,28,29,32)/t16-,17-,18+,21+,23-,26+/m0/s1 InChI=1/C26H45N5O4S/c1-16(24(34)27-8-9-31-10-12-35-13-11-31)18-6-7-26(3)14-19-22(17(2)21(26)23(18)33)29-25(36-19)28-20(32)15-30(4)5/h16-18,21,23,30-31,33H,6-15H2,1-5H3,(H,27,34)(H,28,29,32)/t16-,17-,18+,21+,23-,26+/m0/s1/f/h27-28H 4211.8266654475 -1979.5513222 1-A 34824.3115 141 493 634 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.12251 -20.75021 -20.74884 -20.68837 -20.68539 -15.91006 -15.89304 -15.80675 -15.75251 -15.71231 -11.57622 -11.51644 -11.50175 -11.50052 -11.49140 -11.48744 -11.48081 -11.47726 -11.47221 -11.46851 -11.46610 -11.45927 -11.40927 -11.39718 -11.39327 -11.37725 -11.36959 -11.36848 -11.36322 -11.36303 -11.36210 -11.35237 -11.34787 -11.34504 -11.33869 -11.32586 -9.13243 -6.81483 -6.81371 -6.81198 -1.62550 -1.58851 -1.55363 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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 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 6 6 1 6 6 16 6 7 7 6 8 6 7 1 6 6 6 6 6 1 6 1 6 1 6 6 6 1 6 6 8 7 6 6 7 1 6 6 8 6 6 8 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 1.00783 12.00000 12.00000 31.97207 12.00000 14.00307 14.00307 12.00000 15.99491 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 15.99491 12.00000 12.00000 15.99491 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 1.00783 1.00783 1.00783 1.00783 1.00783 13566.9675 51572.9117 60154.8749 0.99998 -0.00485 0.00369 0.00486 0.99999 -0.00169 -0.00368 0.00171 0.99999 1 0.00638 0.00168 0.00144 0.13302 0.03499 0.03000 14.13 25.34 28.44 32.69 44.30 56.11 64.61 75.82 82.60 98.77 120.69 137.49 160.53 164.52 189.40 200.81 218.06 227.60 258.55 273.02 293.33 313.49 330.34 334.45 336.17 363.61 365.10 370.62 384.46 391.01 394.57 412.65 427.63 433.94 462.29 469.71 481.55 489.27 513.58 518.59 535.39 555.66 571.09 581.24 593.28 606.66 614.48 637.17 651.89 672.15 705.55 710.64 713.97 724.12 759.83 770.20 814.12 830.33 840.56 879.65 898.25 933.65 958.86 963.98 988.02 1018.51 1076.42 1081.89 1109.75 1128.45 1152.54 1185.75 1188.44 1230.02 1230.37 1259.65 1280.13 1305.67 1328.70 1351.77 1376.26 1395.73 1402.44 1415.63 1421.16 1454.69 1484.01 1499.43 1505.16 1523.20 1532.23 1534.41 1547.73 1577.87 1584.77 1592.25 1598.29 1602.10 1606.03 1627.26 1638.41 1647.20 1651.36 1659.12 1671.71 1687.12 1696.50 1700.25 1701.72 1751.61 1780.98 1788.74 1798.43 1813.52 1831.80 1838.90 1842.06 1855.33 1869.43 1883.82 1890.12 1899.28 1903.18 1914.33 1938.51 1968.55 1977.00 1979.73 1984.78 1988.82 2030.32 2042.80 2044.64 2055.55 2066.19 2078.09 2081.39 2100.04 2104.53 2123.23 2131.21 2136.56 2147.29 2153.62 2162.07 2172.05 2176.19 2198.93 2209.16 2214.69 2217.20 2222.95 2233.36 2244.87 2250.12 2259.58 2266.01 2266.49 2269.65 2271.14 2281.57 2286.79 2293.80 2308.57 2315.91 2322.57 2331.62 2332.78 2348.62 2351.10 2352.27 2356.71 2361.43 2363.75 2365.77 2366.23 2368.94 2371.20 2376.31 2376.91 2377.62 2379.01 2383.35 2383.62 2391.16 2402.07 2414.67 2428.23 2556.29 2622.01 2772.86 2807.92 4567.88 4589.62 4600.85 4602.50 4607.59 4609.99 4621.20 4625.61 4627.40 4630.69 4650.33 4651.02 4662.25 4664.91 4669.35 4683.41 4688.50 4693.67 4696.49 4701.25 4708.89 4711.44 4716.94 4723.98 4729.13 4746.71 4750.85 4751.93 4778.71 4786.65 4789.72 4794.74 4806.96 4830.38 4841.59 4844.42 4849.95 4852.92 4855.44 4865.42 5214.24 5287.25 5510.95 5594.40 5902.51 0.775242 0.810281 0.811225 0.704730 -1978.776081 -1978.741041 -1978.740097 -1978.846592 3.571860D-04 MUNgauss RevisionA2.0 retrievium 14-May-2020 DUDE C[C@@H]1c2c(sc(n2)NC(=O)C[NH+](C)C)C[C@@]3([C@H]1[C@H]([C@H](CC3)[C@H](C)C(=O)NCC[NH+]4CCOCC4)O)C C03840945 RHF 6-31G(d) (6D,10F) C1 523.319227 |X|Y|Z| 163.951030 79.430871 40.434503 80.751735 24 6 7 8 16 19 3 1 1 |36.858105| |12.377143|36.858105| |8.928585|17.526425|0.500000| |7.666697|12.667945|0.252772|36.858105| |5.296624|7.588359|0.168020|14.271686|36.858105| |3.924282|4.756633|0.117160|7.511512|10.923916|388.023441| |4.627142|5.306924|0.134795|8.730355|7.927041|78.218240|36.858105| |6.435147|7.592563|0.189718|13.727584|8.276988|52.879056|15.026239|53.358707| |3.739715|3.968071|0.105420|5.432815|5.016765|48.643694|13.566557|11.279283|53.358707| |2.997768|3.165497|0.084323|4.112928|4.110287|42.139468|7.774237|7.284400|19.400746|36.858105| |2.756102|2.967775|0.078239|3.854722|4.132677|45.998052|6.609424|6.273498|11.481625|15.878790|73.516695| |2.580770|2.639704|0.071683|3.211068|3.125109|28.573803|5.031403|5.506601|10.674561|12.450788|14.397193|36.858105| |2.212080|2.263315|0.061051|2.701790|2.720376|24.837727|3.907122|4.366587|7.097659|7.816558|13.028598|12.794505|53.358707| |2.195199|2.289053|0.061590|2.766033|2.858897|27.025898|4.024649|4.392530|7.029022|8.075233|16.376872|9.512462|25.578159|0.500000| |2.176889|2.180816|0.057886|2.574401|2.602522|23.300445|3.576312|4.081422|6.139490|6.079857|10.638441|7.685649|17.310406|0.261034|36.858105| |1.932005|1.970550|0.053909|2.285186|2.282691|19.897081|3.092685|3.620003|5.327075|5.101766|8.591143|7.669132|17.358882|0.256868|7.695916|36.858105| |4.519648|6.264915|0.142088|7.583511|12.745879|47.200744|4.903268|6.951483|4.924111|3.171737|5.828241|2.539094|3.121936|0.067171|2.225908|1.970639|36.858105| |4.853316|7.177571|0.168272|6.535898|7.526241|32.414674|3.955052|6.047246|4.171347|2.668933|4.769114|2.221899|2.722682|0.057774|1.935621|1.757172|12.302626|36.858105| |7.454508|12.189146|0.242847|7.459751|6.614243|29.363106|4.033207|6.729916|4.281426|2.659123|4.597851|2.246022|2.708382|0.056472|1.937783|1.750482|7.429234|12.207452|36.858105| |7.504294|8.919824|0.176763|6.346843|5.876344|27.653114|3.767225|6.119030|4.074505|2.561992|4.449427|2.177176|2.651259|0.055082|1.929660|1.708969|6.718875|8.891943|17.487823|0.500000| |5.930002|7.552958|0.205757|4.963740|4.402750|22.405182|3.171856|5.186566|3.564368|2.253458|3.874643|1.964406|2.383935|0.049408|1.700493|1.571086|4.820211|7.356559|12.291331|0.248309|36.858105| |6.918658|7.490718|0.213173|4.730288|3.976432|21.020593|3.110700|5.197199|3.558843|2.231392|3.780011|1.969379|2.373936|0.048744|1.697612|1.569328|4.066249|5.456380|8.913694|0.210768|17.576974|0.500000| |4.483990|5.874460|0.188070|4.375338|3.979570|21.158690|2.989086|4.782335|3.412325|2.176812|3.750454|1.910723|2.319317|0.048273|1.629018|1.544584|4.285958|6.283737|7.356749|0.152156|12.374612|0.247781|36.858105| |4.780242|6.428232|0.239079|4.761596|4.114534|22.157833|3.253663|5.333372|3.716965|2.334940|3.967477|2.050910|2.456052|0.050946|1.707900|1.636473|4.122496|5.550365|6.638457|0.137235|8.922797|0.223677|17.553465|0.500000| |3.703195|4.958781|0.148319|4.202877|4.188224|22.337685|2.974055|4.550361|3.371624|2.190602|3.855140|1.902177|2.334971|0.049215|1.632425|1.553049|4.865868|7.435605|6.397141|0.135812|7.496618|0.153362|12.411242|0.248005|36.858105| |4.030205|5.857051|0.163455|5.475750|5.965904|29.274520|3.670620|5.536388|3.980461|2.567534|4.577068|2.162756|2.644432|0.056318|1.842459|1.730487|7.527730|12.366730|7.530331|0.153753|6.447481|0.136412|7.482465|0.188553|12.442225|36.858105| |3.554500|4.127860|0.128672|3.262270|3.011540|17.050363|2.425928|3.788831|2.870470|1.864586|3.213041|1.673657|2.052355|0.042520|1.447034|1.385312|3.217006|4.290043|4.832839|0.113753|7.506411|0.189271|12.334221|0.247923|7.474055|4.863321|36.858105| |3.240320|3.693248|0.109288|2.988624|2.838108|16.154843|2.251147|3.458691|2.669967|1.753308|3.048587|1.574647|1.949758|0.040487|1.383962|1.316462|3.131729|4.195397|4.546296|0.111584|6.841445|0.164715|8.885332|0.175257|6.896414|4.576386|17.586506|0.500000| |3.641631|3.883606|0.121305|3.025222|2.709800|15.675418|2.300080|3.630948|2.769612|1.792704|3.052637|1.631500|1.993907|0.040920|1.412805|1.351593|2.790796|3.520617|4.228514|0.104735|6.312364|0.196817|7.369528|0.188623|4.835477|3.713575|12.361542|0.247106|36.858105| |2.928356|3.390087|0.107405|2.854648|2.676127|15.744485|2.240015|3.427101|2.698047|1.772407|3.059947|1.606009|1.976002|0.041018|1.380500|1.347191|2.811323|3.544824|3.720746|0.088749|4.897930|0.127240|7.524717|0.194259|6.319784|4.277965|12.549649|0.248673|7.768928|36.858105| |2.896507|3.380990|0.110693|2.910477|2.699440|16.139508|2.331953|3.568021|2.828870|1.852968|3.179731|1.684481|2.059163|0.042718|1.424628|1.408956|2.751288|3.358286|3.505482|0.082880|4.330706|0.115370|6.471652|0.197107|5.666590|4.156521|7.896833|0.163449|6.148170|15.789729|73.516695| |2.462560|2.777849|0.084867|2.408793|2.309634|13.894458|1.950076|2.925245|2.377552|1.585361|2.758023|1.447552|1.801478|0.037441|1.263806|1.235750|2.460324|3.025258|3.081148|0.076155|3.885417|0.101026|5.212859|0.131172|4.937100|3.549337|7.794923|0.212109|5.827260|13.973952|15.223622|53.358707| |2.134833|2.376751|0.072591|2.120179|2.041474|12.622755|1.778785|2.634552|2.202912|1.482646|2.580064|1.367740|1.709304|0.035509|1.194308|1.182990|2.140817|2.533351|2.550718|0.063806|3.051677|0.081038|3.888701|0.104027|3.814113|2.961361|5.045205|0.134617|4.320308|7.862341|12.583596|18.029872|36.858105| |2.024358|2.292831|0.069824|2.102456|2.058844|12.894671|1.794347|2.620710|2.225185|1.508913|2.643758|1.388866|1.742021|0.036397|1.209465|1.208114|2.163477|2.518834|2.446345|0.060851|2.808249|0.073206|3.581182|0.097309|3.802811|3.035500|4.175843|0.111465|3.467715|6.060814|11.016874|10.559315|12.389896|36.858105| |1.848992|2.067242|0.063141|1.926303|1.877950|12.024783|1.691624|2.452962|2.129608|1.452756|2.537456|1.351642|1.697546|0.035396|1.172698|1.187617|1.933592|2.189154|2.143015|0.053703|2.401054|0.063866|2.964770|0.083505|3.079975|2.596720|3.327397|0.087195|2.942458|4.513180|8.932132|6.972364|7.567357|12.652489|53.358707| |1.759243|1.937469|0.058911|1.796764|1.743672|11.194252|1.583207|2.298764|2.003611|1.368512|2.385095|1.280568|1.611230|0.033486|1.117260|1.130320|1.791510|2.022659|2.005449|0.050740|2.259336|0.060800|2.735109|0.076712|2.770810|2.347715|3.132272|0.082826|2.864159|4.153948|7.965193|6.603778|7.504593|9.286367|25.676414|0.500000| |1.965371|2.204368|0.068614|2.060856|1.981567|12.748251|1.823790|2.657360|2.306594|1.564393|2.710092|1.459503|1.817394|0.037804|1.245746|1.273756|1.996592|2.242813|2.223087|0.055195|2.470643|0.066540|3.075672|0.090401|3.121413|2.679327|3.351077|0.084328|3.025543|4.528667|9.999556|6.214262|5.925996|7.604384|17.166773|0.257833|36.858105| |1.746084|1.925277|0.059330|1.827984|1.760311|11.571457|1.664879|2.400334|2.140553|1.465990|2.537205|1.385384|1.733801|0.035981|1.185727|1.227628|1.755251|1.927103|1.914991|0.048186|2.086435|0.056828|2.497352|0.073538|2.519906|2.246613|2.669036|0.068185|2.498699|3.359373|7.063100|4.618278|4.209112|4.972278|10.486420|0.199445|12.535424|36.858105| |1.611332|1.781153|0.054184|1.716124|1.676992|11.148979|1.583169|2.253507|2.041197|1.412393|2.464465|1.335393|1.685195|0.035130|1.151536|1.197006|1.682643|1.826461|1.783673|0.045117|1.913313|0.051607|2.261112|0.065688|2.345088|2.127882|2.374353|0.061827|2.192633|2.910215|5.904029|4.063967|3.621436|4.500787|9.168659|0.168575|7.963946|13.668744|73.516695| |1.540604|1.700061|0.051196|1.631136|1.606775|10.628607|1.492410|2.121458|1.914992|1.328572|2.331298|1.252318|1.589414|0.033187|1.093305|1.126212|1.635640|1.785256|1.731682|0.044047|1.868026|0.050054|2.199030|0.062535|2.305540|2.070377|2.344355|0.062265|2.145748|2.874537|5.612907|4.191399|3.842138|4.965630|10.473738|0.199253|6.715646|8.197835|24.339939|36.858105| |1.671214|1.867119|0.056253|1.775914|1.757744|11.445655|1.591517|2.273618|2.015843|1.390984|2.448265|1.297409|1.643166|0.034402|1.133434|1.154681|1.815438|2.015361|1.935462|0.048895|2.112327|0.055841|2.540132|0.071151|2.719382|2.378061|2.742082|0.073364|2.429018|3.471075|6.683080|5.240472|4.987244|7.607559|17.241376|0.259555|7.723437|6.716162|14.127014|12.507959|36.858105| |4.473980|5.066798|0.133492|3.816537|3.616026|19.319810|2.656423|4.160435|3.056316|1.980730|3.449918|1.745760|2.155368|0.044738|1.552661|1.429360|4.176785|6.082133|7.741320|0.205888|13.526830|0.260718|8.035282|0.161109|6.277518|5.221469|6.901581|0.216735|5.819633|4.525333|6.742978|5.299311|3.013775|2.734076|3.135984|0.060838|2.298301|1.950715|3.210380|1.794329|2.041665|73.516695| |3.808231|4.787100|0.116772|4.393839|5.016402|25.463401|3.085852|4.536226|3.422301|2.263029|4.099207|1.925928|2.413729|0.051231|1.739542|1.573808|7.771268|12.350885|7.432166|0.199745|5.999962|0.127007|5.106447|0.118775|6.150021|7.546175|3.954332|0.116107|3.247271|3.269644|5.309450|3.999655|2.451494|2.426433|2.836552|0.053899|2.075949|1.791737|3.048153|1.705538|1.937391|11.282762|36.858105| |17.548855|8.766394|0.173924|6.958227|5.304185|28.490302|4.543262|8.010262|5.016285|3.009916|4.982742|2.577105|3.047758|0.061762|2.248835|1.937922|4.622258|4.684675|6.721884|0.218991|5.093858|0.154944|3.836848|0.108919|3.333602|3.701820|3.121563|0.081627|3.158508|2.596578|4.516961|3.046793|1.952214|1.861713|2.316214|0.045082|1.789141|1.601191|2.651914|1.435187|1.554502|7.448019|3.846008|0.500000| |17.577412|8.712428|0.210858|5.535659|4.226400|23.038686|3.682474|6.511630|4.230546|2.571355|4.239739|2.270247|2.686694|0.054326|1.946349|1.752269|3.879466|4.413816|6.846944|0.195159|6.545674|0.245466|4.729253|0.137185|3.689085|3.766381|3.905402|0.098586|4.226638|3.117140|5.381952|3.557338|2.240911|2.081708|2.573965|0.050333|2.000357|1.770033|2.882654|1.556378|1.692028|8.861945|3.650014|0.301620|0.500000| |17.599690|8.773535|0.216331|6.989895|4.780206|27.404685|4.949662|9.742354|5.663414|3.241936|5.137476|2.828015|3.226212|0.064489|2.318813|2.068837|3.893857|3.997190|5.442489|0.147325|4.637085|0.148737|3.859573|0.118583|3.252571|3.524987|3.167029|0.079490|3.298900|2.711580|4.883560|3.118241|2.024705|1.929613|2.437110|0.047417|1.926092|1.730681|2.833423|1.511411|1.622267|6.454463|3.193159|0.301576|0.302538|0.500000| |3.861088|3.929479|0.106795|5.054884|4.372400|37.268164|9.468528|10.791266|25.949304|9.356915|10.792845|7.434716|6.527518|0.125208|4.196211|3.789977|3.256108|2.875143|3.047930|0.080593|2.595307|0.073404|2.485208|0.076040|2.400184|2.761659|2.111479|0.054183|2.071213|1.985893|3.719695|2.373758|1.619661|1.624112|2.125680|0.040976|1.702051|1.585113|2.668426|1.402445|1.469649|3.936362|2.370454|0.103587|0.089644|0.124955|0.500000| |2.652468|2.630203|0.071216|3.133866|2.969833|25.896022|4.698723|5.422334|9.665973|8.684260|10.716923|17.625894|12.302443|0.184274|7.389459|6.497417|2.424755|2.150992|2.219726|0.060305|1.952100|0.054990|1.879591|0.056049|1.843699|2.072312|1.655565|0.043245|1.633153|1.579393|2.936085|1.936699|1.342276|1.351941|1.790019|0.034761|1.419357|1.347979|2.298269|1.213564|1.256141|3.086304|1.871783|0.073900|0.064927|0.082112|0.212803|0.500000| |2.467452|2.552998|0.070814|3.058041|2.949168|26.178256|4.590149|5.206637|9.192353|8.883682|11.490723|17.604369|12.328773|0.211889|5.638468|7.525238|2.417554|2.151999|2.171754|0.057788|1.926293|0.053685|1.903751|0.057230|1.896436|2.138902|1.675173|0.043560|1.632499|1.625196|3.058692|1.992036|1.391888|1.419433|1.894138|0.036576|1.514224|1.445372|2.477106|1.298003|1.337582|3.033591|1.860705|0.067208|0.060885|0.075277|0.188486|0.300838|0.500000| |1.962660|1.976166|0.052525|2.304866|2.362772|20.906221|3.071726|3.557406|5.016737|4.774874|8.949792|5.611741|12.315938|0.225537|17.656467|7.101991|2.066542|1.802079|1.786706|0.049527|1.578028|0.043577|1.516913|0.043912|1.530229|1.720692|1.355842|0.036195|1.320330|1.298163|2.375824|1.628013|1.133895|1.151420|1.521563|0.029609|1.182390|1.128825|1.958273|1.048948|1.085881|2.585136|1.640305|0.056393|0.049207|0.057403|0.095129|0.146585|0.126553|0.500000| |2.383708|2.386784|0.062401|2.866742|2.929958|26.893789|4.075222|4.545823|6.894972|6.829514|12.418037|7.138472|12.291206|0.225969|17.671180|5.605906|2.478885|2.117420|2.117311|0.058961|1.829886|0.050590|1.734591|0.050336|1.740069|1.984831|1.527927|0.040661|1.487199|1.445678|2.640218|1.796317|1.239099|1.252377|1.642093|0.031887|1.278015|1.208419|2.083065|1.115460|1.162979|2.965931|1.896700|0.069333|0.058549|0.070146|0.126061|0.191658|0.142763|0.300114|0.500000| |2.148363|2.112441|0.056281|2.449142|2.423663|20.908860|3.308551|3.902280|5.671021|5.177428|8.453574|6.912466|12.297442|0.181522|17.644694|7.022675|2.080674|1.838362|1.867800|0.051838|1.653859|0.046264|1.579936|0.046098|1.566535|1.748592|1.412429|0.037475|1.391687|1.346206|2.469766|1.677779|1.166182|1.175031|1.553989|0.030316|1.214454|1.158894|1.994042|1.064021|1.100163|2.686263|1.655658|0.061587|0.053666|0.064224|0.113391|0.217383|0.147032|0.299073|0.297629|0.500000| |1.909454|1.972068|0.054527|2.284738|2.281488|19.817552|3.076671|3.613153|5.255735|4.933973|8.316597|7.029497|12.294726|0.223096|5.603698|17.650495|1.970584|1.766717|1.751031|0.047058|1.579390|0.043723|1.569881|0.046418|1.584941|1.764172|1.408432|0.037063|1.369287|1.380119|2.581972|1.721807|1.216011|1.248223|1.677874|0.032516|1.328457|1.284666|2.231434|1.175602|1.201565|2.546165|1.575675|0.052647|0.048219|0.056750|0.103965|0.157985|0.226526|0.145559|0.126069|0.142570|0.500000| |1.779847|1.815848|0.049474|2.089918|2.114195|18.317399|2.747230|3.239283|4.541690|4.248480|7.599852|5.600878|12.325215|0.220310|7.184168|17.655911|1.856055|1.654162|1.636667|0.044601|1.472693|0.040725|1.446555|0.042271|1.461916|1.625524|1.303444|0.034590|1.269348|1.268431|2.348304|1.593105|1.122159|1.147582|1.535105|0.029852|1.202833|1.161242|2.021856|1.074547|1.101275|2.402436|1.498417|0.049895|0.045095|0.052404|0.088737|0.137450|0.148719|0.220096|0.145749|0.177141|0.299554|0.500000| |1.915607|1.924379|0.052783|2.201713|2.162814|18.372162|2.924146|3.505461|5.037309|4.552793|7.320810|6.978208|12.300956|0.179996|6.928000|17.644828|1.869776|1.686145|1.701331|0.046279|1.537267|0.042979|1.506720|0.044422|1.499956|1.656164|1.358537|0.035814|1.336697|1.319431|2.453046|1.647042|1.159259|1.177677|1.578468|0.030762|1.245585|1.203230|2.077442|1.098495|1.123594|2.486770|1.512289|0.053312|0.048474|0.057476|0.103596|0.190081|0.192027|0.171216|0.142121|0.208048|0.298609|0.299286|0.500000| |4.317644|5.375660|0.119947|6.192912|9.015976|41.759874|4.407602|6.135217|4.587121|3.013324|5.583338|2.437773|3.043384|0.065269|2.218763|1.915964|17.530609|8.784289|6.467739|0.189049|4.355526|0.104648|3.709576|0.097650|4.051036|5.524750|2.911145|0.080299|2.586619|2.527475|4.345948|3.066429|1.967774|1.971222|2.406043|0.045889|1.810207|1.605598|2.743050|1.508319|1.665946|7.112127|7.560232|0.130608|0.103962|0.102626|0.084568|0.065289|0.063605|0.057506|0.069299|0.057695|0.052642|0.050498|0.050633|0.500000| |3.630600|4.787800|0.117353|5.738950|8.919722|45.013437|4.403769|5.896346|4.601322|3.071210|5.803946|2.466958|3.082688|0.067265|2.178702|1.957540|17.544950|8.823504|5.467768|0.137727|4.035999|0.095382|3.844578|0.102889|4.636360|7.234879|2.978297|0.081177|2.552890|2.691610|4.715458|3.258656|2.110207|2.175495|2.652368|0.049854|2.001674|1.764068|3.040961|1.667646|1.855139|6.446132|6.879079|0.101886|0.089051|0.090162|0.083655|0.064468|0.065733|0.056789|0.066935|0.056052|0.054737|0.051541|0.051126|0.304659|0.500000| |3.218993|4.163904|0.128934|3.699578|3.682135|20.745434|2.788725|4.197198|3.226941|2.116114|3.723492|1.855172|2.281095|0.048143|1.580431|1.530941|4.081697|5.470139|4.825636|0.107463|5.487888|0.124481|8.848933|0.219103|17.542640|8.904973|6.794454|0.168034|4.499686|7.113221|12.190982|7.502631|4.369241|4.599262|4.956920|0.088384|3.712911|2.898676|4.788289|2.638201|3.181403|8.446489|4.687609|0.080410|0.088916|0.081273|0.064014|0.049710|0.051932|0.041260|0.046421|0.042122|0.043715|0.040026|0.041030|0.095306|0.112618|0.500000| |3.298489|4.167843|0.118795|3.595805|3.680840|20.142331|2.636364|3.957255|3.030174|1.998911|3.548750|1.748213|2.172542|0.045823|1.532167|1.449866|4.460170|6.668705|5.582942|0.128280|6.642034|0.137068|8.824423|0.174606|17.560028|8.820495|6.966037|0.211178|4.543732|5.807343|8.646683|6.847397|3.811317|3.767295|4.060686|0.075293|2.908221|2.367634|3.963701|2.238012|2.664950|11.970349|6.783309|0.085012|0.092649|0.080212|0.059800|0.047170|0.048191|0.040149|0.045373|0.040862|0.040949|0.038159|0.038911|0.108161|0.120264|0.303726|0.500000| |3.334902|4.504906|0.124162|4.529783|5.266345|28.183338|3.369841|4.838042|3.729965|2.471579|4.497657|2.085714|2.588956|0.055667|1.800959|1.700373|6.916698|8.827127|5.482572|0.124139|4.822607|0.107461|5.478949|0.139924|8.861844|17.529338|4.059517|0.109995|3.160630|3.775730|6.553425|4.482474|2.822116|2.986178|3.487435|0.063949|2.603639|2.200337|3.777112|2.084841|2.406004|7.633022|7.039430|0.087572|0.086768|0.082967|0.071039|0.054996|0.057369|0.047120|0.053769|0.047162|0.048286|0.044663|0.044903|0.145675|0.219193|0.214902|0.215403|0.500000| |4.234741|6.425912|0.192827|6.415327|6.667147|32.892131|4.262891|6.524333|4.538176|2.869831|5.053584|2.391344|2.875332|0.061257|1.973447|1.875147|6.981851|8.799634|6.787019|0.138788|5.703677|0.130422|6.754905|0.200040|8.872900|17.518127|4.479280|0.111765|3.580300|4.110128|7.543557|4.549404|2.867408|2.963439|3.546863|0.065202|2.773839|2.339581|3.917607|2.104568|2.383905|7.816762|5.497879|0.105055|0.106908|0.106198|0.087357|0.063234|0.066272|0.050807|0.058907|0.051940|0.053457|0.048502|0.049760|0.140164|0.185545|0.218300|0.173831|0.303967|0.500000| |3.952741|4.029830|0.120462|3.073533|2.744256|15.749036|2.308840|3.659892|2.771503|1.791669|3.051466|1.628136|1.993418|0.040824|1.424851|1.345582|2.844395|3.590853|4.503151|0.116073|6.932163|0.235526|6.578462|0.162093|4.436115|3.570829|8.779479|0.217672|17.625440|5.600904|8.228953|6.274484|3.554359|2.952462|3.455373|0.068900|2.586786|2.189080|3.471763|1.919424|2.152984|12.183861|3.377345|0.096242|0.133180|0.096991|0.057569|0.045514|0.044893|0.036968|0.041847|0.039067|0.037644|0.035153|0.037030|0.074631|0.071170|0.109904|0.119169|0.084372|0.094247|0.500000| |3.036206|3.180314|0.097596|2.582778|2.353368|13.959961|2.038965|3.161871|2.492691|1.632656|2.788243|1.500853|1.847386|0.037883|1.310291|1.261749|2.428145|2.978843|3.428196|0.087158|4.713080|0.141647|5.410772|0.140783|4.032557|3.156324|8.735799|0.209451|17.547219|7.275303|10.167078|8.544663|4.758771|3.595594|4.164455|0.084750|3.084659|2.558189|3.963005|2.203614|2.491372|8.286695|2.828135|0.074895|0.096239|0.077975|0.051814|0.041748|0.041831|0.034164|0.038130|0.035923|0.035538|0.033024|0.034718|0.063143|0.062704|0.108396|0.108996|0.077114|0.084560|0.303515|0.500000| |3.889949|4.106549|0.134556|3.181595|2.774239|16.169854|2.433860|3.897108|2.946292|1.888831|3.182029|1.725407|2.088637|0.042687|1.471683|1.417321|2.763624|3.399732|4.145667|0.101313|5.793657|0.191621|6.797609|0.204221|4.497537|3.618871|8.740963|0.173568|17.568677|6.868329|11.326191|6.796905|3.998984|3.310659|3.964144|0.078526|3.115878|2.594505|3.993136|2.155777|2.400884|8.640419|3.017832|0.090968|0.125518|0.100670|0.061896|0.048123|0.048206|0.038023|0.042916|0.040391|0.039978|0.036779|0.039055|0.070543|0.070015|0.119315|0.111936|0.085049|0.101133|0.299993|0.301651|0.500000| |2.407875|2.677536|0.080056|2.312308|2.230656|13.389434|1.867082|2.794563|2.275460|1.521776|2.655178|1.389833|1.737343|0.036092|1.226766|1.190336|2.408040|2.972943|3.037528|0.076524|3.871420|0.100340|4.889556|0.118126|4.616565|3.368672|7.423273|0.239174|5.755663|9.316622|10.896470|26.072299|9.048832|5.988874|5.750733|0.114481|3.727586|2.919176|4.668577|2.742292|3.366587|7.314626|2.985804|0.061491|0.071585|0.061672|0.046289|0.038045|0.038830|0.032312|0.035658|0.033262|0.033713|0.031406|0.032401|0.062099|0.064856|0.134512|0.138524|0.087267|0.086217|0.132916|0.178154|0.129577|0.500000| |2.144170|2.360197|0.072977|2.100760|1.994978|12.413875|1.776910|2.644416|2.216464|1.487350|2.570297|1.380570|1.718188|0.035551|1.197737|1.193038|2.054032|2.404064|2.469876|0.061809|2.946418|0.080256|3.716014|0.103372|3.494479|2.782565|4.767119|0.121011|4.409975|7.293834|13.268251|12.541723|17.584981|8.792728|10.104445|0.219715|6.677641|4.721755|6.773264|3.882564|4.716293|5.055055|2.284999|0.054052|0.062767|0.057124|0.045606|0.037753|0.039178|0.031519|0.034417|0.032600|0.034111|0.031352|0.032587|0.052453|0.055870|0.109903|0.094041|0.072782|0.076544|0.099080|0.137682|0.118485|0.188775|0.500000| 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