Version2.1 2021-01-13T19:27:17Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 10-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)c1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2SC4CCCCC4)n(c(=O)n3C)C C28049224 RHF 6-31G(d) (6D,7F) CC(C)c1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2SC4CCCCC4)n(c(=O)n3C)C C01[X(C24H31N3O3S2)] 183 C1 550 CC(c1ccc(cc1)S(=O)(=O)Nc1cc2c(cc1SC1CCCCC1)n(c(=O)n2C)C)C CC(c1ccc(cc1)S(=O)(=O)Nc1cc2c(cc1SC1CCCCC1)n(c(=O)n2C)C)C CC(C)c1ccc(cc1)[S](=O)(=O)Nc2cc3N(C)C(=O)N(C)c3cc2SC4CCCCC4 InChIKey=OVZIFPJBWSBFQB-UHFFFAOYSA-N InChI=1S/C24H31N3O3S2/c1-16(2)17-10-12-19(13-11-17)32(29,30)25-20-14-21-22(27(4)24(28)26(21)3)15-23(20)31-18-8-6-5-7-9-18/h10-16,18,25H,5-9H2,1-4H3 InChI=1/C24H31N3O3S2/c1-16(2)17-10-12-19(13-11-17)32(29,30)25-20-14-21-22(27(4)24(28)26(21)3)15-23(20)31-18-8-6-5-7-9-18/h10-16,18,25H,5-9H2,1-4H3 CC(C)c1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2SC4CCCCC4)n(c(=O)n3C)C C01[X(C24H31N3O3S2)] 183 C01 550 CC(c1ccc(cc1)S(=O)(=O)Nc1cc2c(cc1SC1CCCCC1)n(c(=O)n2C)C)C 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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| 15.5136 22.0112 24.4545 31.7207 36.4191 40.8909 50.5210 65.7622 85.8580 96.0383 107.2013 120.8099 135.6152 135.9724 147.5797 148.0536 161.2220 185.9062 203.7006 218.7073 231.4294 242.3412 246.3504 251.0805 254.7886 267.1332 273.6546 291.8361 303.5770 315.3261 337.8411 346.2855 366.8450 378.8782 390.0913 406.8303 433.8594 448.4323 456.4866 461.1102 471.4647 473.8799 487.5032 520.7512 522.9445 553.1196 576.3927 578.8493 599.8188 623.4992 624.0892 649.8222 685.5925 695.6996 720.9600 756.6494 776.1844 804.5531 805.3473 816.8118 819.6151 843.9533 849.1799 865.8776 867.5249 879.6945 932.5390 948.3103 954.6195 962.9918 963.8428 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31.67 35.18 45.64 52.40 58.83 72.69 94.62 123.53 138.18 154.24 173.82 195.12 195.63 212.33 213.02 231.96 267.48 293.08 314.67 332.98 348.67 354.44 361.25 366.58 384.35 393.73 419.89 436.78 453.68 486.08 498.23 527.81 545.12 561.25 585.34 624.23 645.19 656.78 663.43 678.33 681.81 701.41 749.24 752.40 795.82 829.30 832.84 863.01 897.08 897.93 934.95 986.41 1000.96 1037.30 1088.65 1116.76 1157.57 1158.72 1175.21 1179.24 1214.26 1221.78 1245.80 1248.17 1265.68 1341.72 1364.41 1373.48 1385.53 1386.75 1392.62 1418.38 1440.50 1453.34 1459.91 1460.71 1502.28 1505.17 1562.86 1581.51 1584.29 1600.14 1601.81 1607.96 1642.27 1654.29 1671.38 1687.36 1723.92 1731.31 1733.58 1742.78 1760.26 1785.69 1804.05 1809.67 1818.21 1822.52 1824.52 1838.21 1889.95 1893.24 1897.44 1913.36 1935.40 1956.88 1988.44 2014.84 2019.10 2034.14 2047.95 2083.74 2086.44 2102.73 2109.19 2128.15 2158.82 2162.63 2184.59 2187.81 2196.92 2201.40 2204.53 2237.45 2255.89 2256.75 2275.37 2282.96 2298.93 2322.50 2344.73 2346.37 2347.59 2352.06 2356.12 2359.31 2361.61 2362.45 2363.24 2371.07 2376.59 2386.33 2386.72 2395.89 2413.93 2421.18 2539.11 2579.59 2598.75 2631.91 2827.22 4583.99 4585.90 4590.25 4601.43 4608.69 4614.63 4616.17 4619.74 4628.81 4638.09 4644.56 4655.08 4656.38 4665.25 4682.03 4696.72 4700.81 4708.68 4709.43 4710.91 4715.81 4722.79 4825.67 4829.62 4846.27 4859.63 4884.18 4908.26 4918.19 4955.08 5488.51 0.563181 0.593030 0.593974 0.499575 -2109.269320 -2109.239471 -2109.238527 -2109.332925 3.166124D-04 MUNgauss RevisionA2.0 retrievium 13-Jan-2021 DUDE CC(C)c1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2SC4CCCCC4)n(c(=O)n3C)C C28049224 RHF 6-31G(d) (6D,10F) C1 473.180686 |X|Y|Z| 72.036839 90.855074 53.968653 70.688452 24 6 7 16 19 3 2 |36.858105| |12.407186|36.858105| |7.521200|12.413394|36.858105| |7.541615|12.518706|7.510381|36.858105| |5.373176|7.535819|5.258718|13.703169|36.858105| |4.040725|4.998537|3.976994|7.874577|13.753799|36.858105| |3.759125|4.420875|3.732285|6.834020|7.966086|13.759434|36.858105| |4.308572|4.990700|4.316216|7.880387|6.886608|7.918730|13.719460|36.858105| |6.035730|7.490257|6.114615|13.662752|7.972921|6.878817|7.960212|13.794541|36.858105| |2.810048|3.134049|2.789874|4.180431|4.738713|6.975813|10.765776|6.942283|4.730693|388.023441| |2.681172|2.868646|2.589260|3.691067|3.866161|5.014495|7.381836|6.440698|4.414697|94.799121|73.516695| |2.596588|2.868681|2.517492|3.687408|4.439920|6.528701|7.356844|4.955299|3.839563|94.849020|13.591374|73.516695| |2.465289|2.806354|2.627685|3.586012|3.971752|5.315683|6.890590|5.353028|3.990460|82.417196|13.579329|14.004188|53.358707| |2.380386|2.713681|2.646867|3.379533|3.521246|4.312635|5.505640|5.039614|3.885836|49.210913|10.743981|8.927219|18.351292|36.858105| |2.356217|2.613212|2.572266|3.203305|3.178597|3.739195|4.902203|5.035154|3.863437|41.958244|11.315506|7.532894|10.638928|13.577829|36.858105| |2.189042|2.414400|2.457206|2.847588|2.754525|3.082219|3.800878|4.078654|3.394003|29.633459|7.893169|5.792980|7.059527|8.013801|13.906971|36.858105| |2.058257|2.302663|2.395191|2.658435|2.593295|2.847800|3.338618|3.491880|3.049924|25.193100|6.285220|5.176311|6.202519|6.881904|7.878495|13.650159|36.858105| |2.062257|2.352937|2.435526|2.733583|2.745743|3.051069|3.481273|3.464639|3.035905|26.366252|6.161710|5.539841|6.980898|7.851233|6.778154|7.952990|13.955608|36.858105| |2.214438|2.557625|2.568994|3.075941|3.204097|3.736900|4.330123|4.041413|3.391745|34.395467|7.480066|7.076713|10.679667|13.637931|7.838167|6.913982|7.975904|13.558351|36.858105| |2.090209|2.438828|2.427964|2.878047|3.142201|3.647684|3.838521|3.389048|2.975798|29.803600|6.138711|6.878169|8.495333|6.829832|4.657530|4.197166|4.745760|6.950546|10.666102|388.023441| |2.277075|2.749325|2.823201|3.173383|3.434515|3.732098|3.703105|3.381043|3.159285|25.327051|5.272144|5.858222|6.223665|4.937496|3.782130|3.577814|4.094888|5.567577|6.695388|73.765920|36.858105| |2.043412|2.432114|2.483990|2.709883|2.972883|3.158952|3.014976|2.739918|2.619514|20.873402|4.410194|5.087457|4.855333|3.647634|2.941897|2.809873|3.161392|4.033911|4.552505|49.698116|12.422323|36.858105| |2.077463|2.494243|2.610032|2.676286|2.885032|2.911913|2.720959|2.540451|2.525928|18.069321|3.893474|4.398585|3.977910|2.993181|2.530840|2.459755|2.741149|3.318110|3.554288|32.778125|7.540853|12.427646|36.858105| |2.428284|3.017125|3.160648|3.202004|3.494163|3.379138|3.030893|2.829013|2.899950|19.099163|4.070736|4.645237|4.039798|2.971367|2.533456|2.422907|2.619950|3.075652|3.363863|29.045446|6.439682|7.512457|12.446864|36.858105| |2.849249|3.693970|3.958473|4.058377|4.324506|4.117862|3.737874|3.554775|3.690863|22.371501|4.724951|5.220207|4.741309|3.560876|3.015893|2.866860|3.083448|3.618016|4.008949|32.291141|7.551858|6.445103|7.543480|12.446563|36.858105| |2.764452|3.502739|3.556606|4.181851|4.645269|4.931550|4.640919|4.175570|4.004395|28.526781|5.752175|6.509076|6.497345|4.854466|3.795180|3.467369|3.718998|4.605903|5.646224|48.037925|12.462116|7.541447|6.450678|7.523199|12.427747|36.858105| |1.898048|2.088802|2.206560|2.341680|2.248619|2.405249|2.758661|2.942913|2.667145|20.357910|5.199807|4.302775|4.681109|4.613454|5.371891|8.516023|13.722763|7.554842|5.092714|25.748051|3.317881|2.701513|2.427253|2.316230|2.670614|3.046963|53.358707| |1.899248|2.048837|2.148415|2.291585|2.171303|2.316673|2.695560|2.945374|2.659694|19.951146|5.322019|4.184298|4.378745|4.158060|5.287771|8.436165|8.439055|5.288569|4.154478|21.621992|2.791908|2.319451|2.113573|2.059465|2.369034|2.668481|18.892429|36.858105| |1.768908|1.881561|1.982082|2.064726|1.946315|2.048607|2.345254|2.567749|2.371697|17.179443|4.604985|3.677051|3.657523|3.303078|4.031304|5.575485|5.572150|4.025266|3.299083|18.229736|2.401727|2.048483|1.898239|1.853327|2.102371|2.310575|11.265109|15.893836|73.516695| |2.066170|2.224324|2.284769|2.552396|2.419258|2.634213|3.180924|3.519369|3.046102|24.122415|6.696791|4.877178|5.259361|5.126000|7.611488|13.803765|8.538271|5.402955|4.632806|23.004386|2.889225|2.365319|2.130595|2.107886|2.454154|2.832322|11.767361|13.821101|14.702479|53.358707| |2.058278|2.158676|2.183700|2.464764|2.317437|2.514554|3.053461|3.434573|2.972045|23.250626|6.852335|4.727770|4.715022|4.207787|6.064589|7.553533|5.236995|3.913326|3.638949|19.319473|2.451672|2.057770|1.876906|1.882529|2.170471|2.463815|7.210993|7.658779|11.671429|17.956171|36.858105| |1.734552|1.908236|2.040629|2.091152|2.016664|2.122562|2.359061|2.484126|2.317797|17.161126|4.301799|3.742771|3.891264|3.621619|3.894906|5.231899|7.535565|5.998398|4.174224|23.422149|3.140496|2.647928|2.421550|2.262515|2.546701|2.811213|17.983639|7.676047|11.664826|7.212009|3.870274|36.858105| |17.550008|8.738738|6.792117|6.742076|4.716598|3.788163|3.744922|4.545406|6.461652|20.132411|4.943968|4.544959|3.375307|2.430412|2.463104|2.303547|2.138921|2.105966|2.238567|14.682301|2.219627|1.969939|1.984346|2.277866|2.689477|2.654658|2.702869|2.013984|3.346112|2.999339|2.223056|1.800766|0.500000| |17.547346|8.790336|6.891987|5.495708|4.308742|3.357146|3.117179|3.482419|4.573698|17.281006|4.135880|4.048280|2.965670|2.120495|2.098456|1.978019|1.882702|1.888200|2.003819|13.597370|2.098165|1.913158|1.972683|2.303203|2.646601|2.508762|2.391196|1.754881|2.931975|2.563153|1.873166|1.625756|0.301729|0.500000| |17.563145|8.752494|5.471344|6.915922|5.519152|4.213266|3.837557|4.223340|5.528365|20.550760|4.898536|4.846766|3.361769|2.333282|2.299785|2.107092|1.967042|1.977233|2.147075|14.525382|2.185925|1.976950|1.989002|2.309022|2.662109|2.634842|2.457209|1.810600|2.996360|2.699509|1.991501|1.645851|0.301660|0.301150|0.500000| |8.945541|17.539759|8.950331|9.020395|7.473403|4.843696|4.022014|4.206097|5.607105|20.931370|4.702482|4.956936|3.621413|2.535594|2.396564|2.212106|2.136727|2.217097|2.424045|16.966829|2.721027|2.468958|2.569901|3.178463|3.774929|3.477864|2.637764|1.884098|3.082689|2.761697|1.959595|1.790042|0.173696|0.215454|0.213319|0.500000| |6.803029|8.730537|17.552772|6.693118|4.622567|3.723345|3.706428|4.538914|6.533194|19.933617|4.745218|4.396557|3.602558|2.723828|2.719121|2.633401|2.540912|2.525352|2.620463|17.068822|2.738581|2.372561|2.454342|2.878045|3.609414|3.363353|3.217164|2.331147|3.833373|3.381102|2.387248|2.167154|0.200765|0.169456|0.139102|0.173657|0.500000| |5.469308|8.749214|17.560235|6.883074|5.314139|4.095230|3.794094|4.243688|5.645882|20.308192|4.612967|4.582786|3.775024|2.820026|2.680424|2.571090|2.559598|2.655241|2.804239|19.120479|3.259633|2.843688|3.044734|3.806056|5.013252|4.242718|3.180753|2.229995|3.626024|3.200646|2.200026|2.175729|0.139092|0.140716|0.122394|0.212895|0.301624|0.500000| |6.881500|8.800054|17.549397|5.486137|4.253441|3.322547|3.102472|3.485555|4.605429|17.190464|4.026577|3.953211|3.117038|2.304217|2.247634|2.170275|2.132143|2.164843|2.257951|15.387879|2.508040|2.265625|2.418224|2.909676|3.477522|3.064865|2.714634|1.946568|3.232739|2.782948|1.965814|1.871436|0.168482|0.207046|0.140773|0.216188|0.302107|0.301274|0.500000| |5.089271|7.005929|4.936238|8.912598|17.714405|8.960013|5.667481|4.958994|5.656426|27.891607|5.776569|6.933572|4.646453|3.040633|2.736112|2.416539|2.316701|2.472884|2.850633|20.665913|3.236773|2.922114|2.905114|3.603898|4.253359|4.314065|2.769298|1.955544|3.145452|2.918550|2.053528|1.855610|0.118375|0.119266|0.148202|0.231403|0.115513|0.140059|0.116859|0.500000| |3.418456|4.081309|3.353211|5.617916|8.899665|17.753000|8.926893|5.641377|4.958074|47.407822|8.245501|13.432734|7.146607|4.063561|3.433592|2.838953|2.660451|2.899631|3.592368|26.421450|3.705734|3.249120|2.946825|3.379552|3.911144|4.725796|3.064337|2.153949|3.399175|3.302921|2.312380|2.008178|0.088460|0.081617|0.100367|0.115093|0.086737|0.096840|0.080520|0.215743|0.500000| |3.715344|4.074867|3.726575|5.623487|4.963119|5.641822|8.907192|17.764263|8.930676|47.026011|12.983740|8.105490|7.229369|5.335632|5.970629|4.758165|3.828279|3.619766|4.110756|23.240060|3.151399|2.554230|2.351679|2.549651|3.144258|3.686036|4.398932|3.337623|5.127496|5.669797|4.185508|2.653974|0.112615|0.085863|0.100728|0.096510|0.112696|0.101416|0.085999|0.107698|0.124179|0.500000| |6.214958|6.927203|6.411899|8.880836|5.653982|4.955945|5.668629|8.990753|17.726554|27.857355|6.880457|5.733077|4.679242|3.486463|3.619173|3.318864|2.979690|2.883498|3.097878|19.071163|2.852948|2.389283|2.332954|2.644215|3.317875|3.486501|3.646816|2.721191|4.371356|4.205884|3.061515|2.333780|0.208925|0.133074|0.148392|0.140085|0.218307|0.154811|0.135347|0.124058|0.107629|0.217007|0.500000| |2.364771|2.717991|2.543626|3.418355|3.925194|5.247459|5.999202|4.564343|3.618059|61.285728|10.186470|13.868758|25.943390|9.281135|5.763275|4.306307|4.062502|4.823003|7.458578|53.610552|5.145677|4.075631|3.217827|3.232697|3.704352|5.238470|4.267849|2.876207|4.335277|4.514077|2.966517|2.696964|0.065048|0.058564|0.065994|0.073103|0.069932|0.075458|0.062059|0.096520|0.154429|0.120540|0.086474|0.500000| |2.403983|2.607882|2.513661|3.215298|3.177735|3.772207|5.112674|5.329785|3.949663|46.281104|15.056803|8.014836|9.738749|8.858706|17.805593|8.918230|5.613837|4.910815|5.606163|27.447617|3.225369|2.599621|2.274786|2.309279|2.717557|3.330075|5.933298|4.601288|6.582778|9.123325|6.434477|3.299273|0.070434|0.059092|0.065947|0.066093|0.074039|0.071300|0.061173|0.075545|0.095805|0.187379|0.103013|0.145284|0.500000| |1.927160|2.200020|2.304022|2.497973|2.517609|2.741461|3.015362|2.985704|2.703577|22.380606|5.197221|4.888779|5.673583|5.613692|4.905694|5.638684|8.933759|17.745521|8.876144|47.678569|5.818933|4.370931|3.586055|3.182795|3.631829|4.448531|9.039458|4.588222|6.551429|5.944516|3.304884|6.328503|0.054292|0.049552|0.051209|0.058231|0.065804|0.070363|0.057588|0.064185|0.073283|0.084993|0.071790|0.114275|0.106876|0.500000| |2.211285|2.650040|2.805989|2.997002|3.113039|3.294343|3.356520|3.211509|3.045808|22.809227|4.937217|5.164074|5.512861|4.673684|3.770901|3.767267|4.559571|6.329901|6.557523|56.809035|17.556044|8.891670|6.855538|5.709695|6.859510|8.880101|5.098012|3.049349|4.646113|4.172701|2.545878|3.637679|0.060522|0.056961|0.058298|0.071911|0.076904|0.090318|0.069553|0.081059|0.088646|0.084990|0.078395|0.119855|0.088041|0.199391|0.500000| |1.843921|2.152807|2.206648|2.377624|2.568773|2.739381|2.673159|2.458712|2.335942|19.057463|4.115396|4.649884|4.472263|3.427837|2.810096|2.736433|3.139338|4.032655|4.356241|47.245847|8.816555|17.556186|8.810665|5.482823|4.837719|5.496337|3.702297|2.310794|3.642687|3.160013|2.009895|2.724484|0.049771|0.048196|0.049651|0.060323|0.059258|0.069136|0.056425|0.069891|0.078213|0.064893|0.059986|0.103145|0.068800|0.126808|0.215140|0.500000| |2.037700|2.414836|2.403345|2.712171|3.068308|3.320589|3.091139|2.726526|2.585673|21.704282|4.499881|5.480253|4.983330|3.548057|2.837819|2.642153|2.882219|3.591937|4.218503|46.988687|8.849511|17.508678|8.839363|6.765421|5.666730|6.813246|3.348198|2.154750|3.396567|3.035648|1.971585|2.377248|0.054177|0.052868|0.055438|0.068891|0.063230|0.075470|0.060994|0.084965|0.098241|0.069954|0.064729|0.120299|0.070857|0.104186|0.174221|0.303070|0.500000| |2.016486|2.405043|2.581089|2.548376|2.666643|2.666735|2.550084|2.442866|2.445481|16.928509|3.720218|4.048892|3.732042|2.896483|2.500250|2.491938|2.835450|3.414589|3.485099|30.348780|6.792911|8.849949|17.500188|8.851736|6.779330|5.653069|3.477693|2.199071|3.523532|2.964345|1.902046|2.605771|0.053995|0.053460|0.053136|0.067937|0.068320|0.083857|0.066773|0.073681|0.073543|0.063639|0.063807|0.081947|0.062027|0.105420|0.202174|0.215015|0.173681|0.500000| |1.907214|2.252263|2.334362|2.384010|2.580076|2.600192|2.416308|2.250178|2.240032|16.271007|3.536018|4.035644|3.526957|2.615031|2.241938|2.179480|2.405172|2.856164|3.039368|27.761293|5.499351|8.843616|17.540598|8.809373|5.492331|4.842190|2.942894|1.903354|3.070962|2.604747|1.704687|2.174063|0.050464|0.050726|0.051087|0.065075|0.060863|0.074316|0.061014|0.073267|0.074150|0.058137|0.057762|0.079367|0.056671|0.085639|0.140454|0.212443|0.215085|0.303555|0.500000| |2.385750|2.942843|3.156465|2.995566|3.183915|2.989519|2.691692|2.569645|2.693600|16.878292|3.671347|4.105598|3.492956|2.584720|2.265397|2.194978|2.365184|2.706936|2.878533|23.764212|4.836499|5.481643|8.820551|17.536550|8.811479|5.483440|2.909950|1.918210|3.105806|2.649075|1.752795|2.112817|0.061892|0.063950|0.062538|0.087051|0.079116|0.105858|0.082860|0.092581|0.082257|0.064727|0.069452|0.076255|0.057917|0.078088|0.127848|0.123152|0.139031|0.215126|0.211343|0.500000| |2.440599|3.019456|3.037278|3.231931|3.682708|3.586422|3.103671|2.814278|2.865109|19.616773|4.120248|4.909062|4.074709|2.889809|2.448387|2.297268|2.435528|2.837469|3.185445|28.004655|5.644924|6.760804|8.855568|17.499068|8.855804|6.776295|2.919096|1.931091|3.095414|2.721638|1.807511|2.073584|0.062878|0.064139|0.065508|0.090322|0.075995|0.099214|0.077883|0.108920|0.103019|0.069727|0.071519|0.092169|0.062802|0.080206|0.131757|0.139063|0.198803|0.173798|0.214967|0.303333|0.500000| |2.755456|3.517104|3.991151|3.754722|3.767531|3.568109|3.391847|3.375710|3.546720|20.549305|4.474242|4.702965|4.381853|3.436434|2.997302|2.947740|3.245129|3.765279|3.938439|29.948201|6.803376|5.653528|6.777598|8.847010|17.496267|8.837072|3.896027|2.510609|3.969999|3.472270|2.230563|2.773344|0.073490|0.071773|0.070384|0.097192|0.103975|0.142351|0.098136|0.101025|0.092464|0.085065|0.091715|0.092634|0.074340|0.107042|0.202391|0.126661|0.131117|0.199068|0.139136|0.214808|0.173748|0.500000| |3.328388|4.548559|4.860066|4.897120|5.214372|4.584574|3.976778|3.820547|4.169618|22.556597|4.770168|5.278403|4.538598|3.324116|2.882266|2.708422|2.824126|3.193981|3.548198|27.261593|5.506809|4.837831|5.492300|8.809171|17.539502|8.847701|3.364290|2.245504|3.570686|3.201580|2.120934|2.332785|0.085273|0.085499|0.085460|0.132451|0.116913|0.179768|0.116330|0.146036|0.117786|0.091217|0.102663|0.096913|0.073758|0.087021|0.140528|0.106620|0.126943|0.139164|0.123156|0.211053|0.214993|0.303439|0.500000| |2.792474|3.519897|3.389656|4.300133|5.200597|5.824903|5.074792|4.226277|3.977289|31.313326|6.033017|7.506407|6.916554|4.682365|3.615193|3.189239|3.302217|3.992963|5.080346|45.532914|8.887050|6.840550|5.695466|6.799603|8.844083|17.527162|3.704651|2.436617|3.779323|3.572511|2.334752|2.497269|0.073480|0.069984|0.075550|0.099347|0.087634|0.109120|0.081647|0.136932|0.165424|0.101285|0.093676|0.163817|0.090626|0.105575|0.174332|0.140245|0.202405|0.131524|0.127549|0.139426|0.200193|0.173582|0.214798|0.500000| |3.022399|3.864101|3.941592|4.843846|5.135031|5.528356|5.606183|5.234096|4.903437|32.629981|6.593094|6.959864|7.425742|5.820440|4.548653|4.089400|4.284333|5.177619|6.446079|44.876105|8.825684|5.493082|4.835810|5.488358|8.816020|17.570561|4.651985|3.010868|4.562254|4.443843|2.813329|3.047188|0.082007|0.074808|0.079242|0.102312|0.106383|0.129844|0.091441|0.124074|0.137040|0.126999|0.116750|0.155127|0.109097|0.130837|0.214103|0.123272|0.139907|0.126425|0.106626|0.123147|0.139436|0.214335|0.213047|0.303081|0.500000| |1.918401|1.993151|2.037522|2.226420|2.083889|2.222837|2.629787|2.947295|2.639938|19.639541|5.652442|4.110452|3.955001|3.446151|4.572984|5.667908|4.480111|3.419274|3.114866|17.151669|2.216685|1.890810|1.745207|1.745250|1.991814|2.215912|6.719445|7.500407|13.711409|12.649548|17.668411|3.805478|0.057652|0.049018|0.051393|0.050428|0.062026|0.056836|0.051544|0.051887|0.057097|0.096913|0.076595|0.070900|0.131028|0.083104|0.064453|0.051616|0.050179|0.049458|0.044292|0.045547|0.046425|0.057289|0.054108|0.058192|0.069313|0.500000| |2.293378|2.386973|2.401232|2.748696|2.534205|2.734059|3.383675|3.978688|3.419662|24.927573|7.521216|4.971718|4.826088|4.192717|5.989584|6.669607|4.682067|3.664656|3.532349|18.963866|2.456590|2.054096|1.889319|1.926230|2.246532|2.538869|6.178440|5.952007|9.283653|12.419097|17.576723|3.434397|0.069811|0.057412|0.061484|0.059359|0.073870|0.066386|0.059551|0.061628|0.068623|0.140998|0.099632|0.083533|0.187716|0.086076|0.070321|0.055036|0.054881|0.052959|0.047543|0.049906|0.051506|0.063939|0.061830|0.067066|0.081638|0.299977|0.500000| |1.952310|2.038244|2.028352|2.338540|2.241082|2.470687|3.001973|3.267008|2.780581|23.976474|7.291026|4.917108|4.839999|4.196539|6.002629|6.675231|4.699870|3.685236|3.543067|19.090960|2.359035|2.000511|1.808153|1.805955|2.057573|2.354650|6.207490|5.982037|9.328253|12.414913|17.581057|3.454311|0.058115|0.049354|0.053121|0.051861|0.060762|0.056715|0.050917|0.055390|0.063971|0.109478|0.078015|0.084221|0.189583|0.086720|0.067032|0.054497|0.053809|0.050482|0.045905|0.046560|0.048607|0.057998|0.055820|0.062953|0.073760|0.299919|0.299860|0.500000| |1.802761|2.005101|2.179407|2.179510|2.092067|2.174006|2.385675|2.519962|2.393786|16.915395|4.165365|3.702270|3.818090|3.515005|3.648678|4.680093|6.658711|5.914210|4.155185|24.026185|3.405495|2.855717|2.657561|2.474350|2.805178|3.037752|12.424573|5.961366|9.275895|6.181393|3.434534|17.568930|0.051782|0.047087|0.047159|0.052310|0.064220|0.065351|0.055534|0.053648|0.056922|0.073603|0.067054|0.074350|0.085912|0.184158|0.113594|0.081278|0.069895|0.081114|0.065597|0.064455|0.061972|0.086993|0.070638|0.073405|0.091137|0.093100|0.088021|0.084928|0.500000| |1.651357|1.793492|1.921577|1.942822|1.859659|1.941214|2.151123|2.285777|2.154445|15.580623|3.964161|3.419755|3.434964|3.104295|3.407848|4.474609|5.655193|4.537681|3.425272|19.782940|2.678380|2.309994|2.149403|2.030354|2.266339|2.454774|12.654324|7.505383|13.680350|6.712269|3.802585|17.665737|0.047870|0.043216|0.043511|0.046664|0.057007|0.056309|0.049358|0.047698|0.050983|0.068187|0.060996|0.066005|0.083059|0.129440|0.084502|0.065786|0.058276|0.064070|0.054219|0.053289|0.051993|0.068383|0.058501|0.061342|0.073663|0.108908|0.093057|0.093540|0.300061|0.500000| |1.624680|1.786371|1.889843|1.959695|1.919678|2.036848|2.244159|2.311770|2.144065|16.647894|4.139150|3.686604|3.829774|3.519262|3.661791|4.691371|6.656107|5.929712|4.156312|24.162871|3.140027|2.700207|2.430567|2.224789|2.452261|2.727381|12.418270|5.991296|9.326767|6.206087|3.453846|17.569530|0.046514|0.042377|0.043124|0.046987|0.055076|0.056042|0.048346|0.049411|0.054234|0.067981|0.059255|0.074852|0.086436|0.185977|0.100201|0.078949|0.067419|0.072427|0.061144|0.057463|0.056927|0.073226|0.061909|0.067972|0.080364|0.093613|0.084905|0.089069|0.299630|0.300070|0.500000| 2107.669474 -12561.441265 4774.436075 -230.903453 -5910.239168 3800.406622 -2109.832546 2.001026 408B000000000020 44B3D963FB507CA8 44342A0C2C007EA3 4222E15617800000 B7EA22391F5F0BF7 43F73CA89CE4EB49