Version2.2 2021-02-04T18:46:01Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 06-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1cccc(c1NC(=O)CSc2nnc3n2c4ccccc4c(=O)n3CC=C)CC C03361407 RHF 6-31G(d) (6D,7F) CCc1cccc(c1NC(=O)CSc2nnc3n2c4ccccc4c(=O)n3CC=C)CC C01[X(C24H37N5O2S1)] 201 C1 558 C=CCn1c2nnc(n2c2c(c1=O)cccc2)SCC(=O)Nc1c(CC)cccc1CC C=CCn1c2nnc(n2c2c(c1=O)cccc2)SCC(=O)Nc1c(CC)cccc1CC CCC1CCCC(CC)C1NC(=O)CSc2nnc3N(CC=C)C(=O)C4CCCCC4n23 InChIKey=CHDGNJWQNPIOEO-UHFFFAOYSA-N InChI=1S/C24H37N5O2S/c1-4-14-28-22(31)18-12-7-8-13-19(18)29-23(28)26-27-24(29)32-15-20(30)25-21-16(5-2)10-9-11-17(21)6-3/h4,16-19,21H,1,5-15H2,2-3H3,(H,25,30) InChI=1/C24H37N5O2S/c1-4-14-28-22(31)18-12-7-8-13-19(18)29-23(28)26-27-24(29)32-15-20(30)25-21-16(5-2)10-9-11-17(21)6-3/h4,16-19,21H,1,5-15H2,2-3H3,(H,25,30)/f/h25H CCc1cccc(c1NC(=O)CSc2nnc3n2c4ccccc4c(=O)n3CC=C)CC C01[X(C24H37N5O2S1)] 201 C01 558 C=CCn1c2nnc(n2c2c(c1=O)cccc2)SCC(=O)Nc1c(CC)cccc1CC C=CCN1C(=O)[C@@H]2CCCC[C@H]2N2[C]1[N][N]=C2SCC(=O)N[C@@H]1[C@@H](CC)CCC[C@@H]1CC CC[C@H]1CCC[C@H](CC)[C@@H]1NC(=O)CSC2=N[N][C]3N(CC=C)C(=O)[C@@H]4CCCC[C@H]4N23 InChIKey=CHDGNJWQNPIOEO-INDMIFKZSA-N InChI=1S/C24H37N5O2S/c1-4-14-28-22(31)18-12-7-8-13-19(18)29-23(28)26-27-24(29)32-15-20(30)25-21-16(5-2)10-9-11-17(21)6-3/h4,16-19,21H,1,5-15H2,2-3H3,(H,25,30)/t16-,17-,18+,19+/m0/s1 InChI=1/C24H37N5O2S/c1-4-14-28-22(31)18-12-7-8-13-19(18)29-23(28)26-27-24(29)32-15-20(30)25-21-16(5-2)10-9-11-17(21)6-3/h4,16-19,21H,1,5-15H2,2-3H3,(H,25,30)/t16-,17-,18+,19+/m0/s1/f/h25H 3439.9007255475 -1749.881967 1-A 25495.2761 124 434 558 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.96576 -20.54816 -20.53183 -15.63879 -15.62000 -15.58748 -15.57450 -15.56677 -11.36831 -11.35887 -11.34474 -11.33059 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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 62 63 64 65 66 67 68 69 6 6 6 6 6 6 6 6 7 6 8 6 16 6 7 7 6 7 6 6 6 6 6 6 6 8 7 6 6 6 6 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 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 31.97207 12.00000 14.00307 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 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 7525.5320 39365.3957 42712.7963 0.99997 -0.00662 -0.00379 0.00653 0.99975 -0.02160 0.00393 0.02158 0.99976 1 0.01151 0.00220 0.00203 0.23982 0.04585 0.04225 10.61 18.63 38.19 42.83 56.87 66.21 71.30 87.45 88.32 102.85 108.85 111.73 146.36 156.51 165.33 178.38 191.46 213.35 267.85 286.95 309.21 353.08 358.10 362.04 371.72 391.66 427.07 438.20 449.41 462.08 485.83 504.75 509.78 539.04 553.96 564.72 576.56 609.58 617.07 644.53 699.36 711.88 732.59 740.96 746.50 751.04 774.11 792.15 848.88 897.73 945.62 954.49 989.88 1019.25 1082.46 1088.50 1113.69 1158.56 1162.02 1191.79 1213.71 1242.32 1254.05 1273.77 1289.83 1316.26 1335.90 1346.16 1376.64 1385.76 1396.19 1412.82 1430.66 1465.14 1469.93 1474.50 1485.28 1490.82 1526.93 1535.66 1550.55 1566.82 1573.90 1601.56 1612.58 1641.18 1647.30 1660.60 1661.62 1663.38 1670.01 1676.30 1689.66 1700.24 1717.10 1726.96 1753.09 1762.10 1798.04 1801.48 1820.23 1858.34 1865.43 1868.86 1894.97 1921.14 1937.66 1954.96 1958.92 1981.73 1994.26 1995.60 2014.31 2024.40 2035.89 2065.78 2076.24 2077.37 2082.91 2091.21 2109.30 2115.61 2120.36 2147.61 2152.13 2168.35 2170.95 2177.12 2179.33 2188.74 2190.18 2199.64 2205.67 2212.36 2217.87 2220.15 2230.58 2245.67 2254.75 2258.21 2260.59 2300.36 2305.31 2341.36 2352.01 2352.92 2354.65 2355.77 2357.09 2361.12 2362.46 2363.70 2368.70 2376.86 2380.73 2381.26 2384.39 2395.41 2444.83 2460.71 2598.66 2705.37 2799.64 2827.54 4544.99 4576.61 4577.72 4590.36 4592.87 4599.02 4601.73 4604.03 4605.44 4607.77 4608.30 4616.38 4624.31 4629.09 4638.07 4651.50 4664.10 4668.93 4672.49 4677.73 4681.55 4684.43 4688.36 4693.98 4705.18 4707.08 4715.77 4720.27 4737.49 4743.30 4751.54 4779.08 4791.65 4815.57 4832.81 4911.34 5569.07 0.644276 0.674901 0.675845 0.577234 -1749.237691 -1749.207066 -1749.206122 -1749.304733 3.307429D-04 MUNgauss RevisionA2.1 retrievium 04-Feb-2021 DUDE CCc1cccc(c1NC(=O)CSc2nnc3n2c4ccccc4c(=O)n3CC=C)CC C03361407 RHF 6-31G(d) (6D,10F) C1 459.266797 |X|Y|Z| 57.213497 37.511323 144.273348 67.652263 23 6 7 16 17 5 1 |36.858105| |12.444565|36.858105| |7.396467|12.369340|36.858105| |6.043661|7.398145|12.396460|36.858105| |4.809220|5.982827|7.490074|12.462790|36.858105| |3.852766|5.042338|6.399081|7.550925|12.454559|36.858105| |4.077952|5.898247|7.360654|6.377503|7.416573|12.376251|36.858105| |4.819252|7.374367|12.309524|7.604740|6.471647|7.573307|12.340913|36.858105| |4.366330|6.362554|7.660641|4.997110|4.410989|4.994131|7.700637|13.066310|53.358707| |3.750966|4.839754|5.769641|4.123679|3.540356|3.878953|5.179821|7.715966|19.238100|36.858105| |3.502901|4.271880|5.443505|4.148543|3.439665|3.701589|4.562808|6.739939|11.519355|15.864624|73.516695| |3.231325|3.945445|4.168544|3.176639|2.845685|3.081863|3.974082|5.015403|10.788574|12.528936|14.176924|36.858105| |2.665445|3.033993|3.254997|2.648161|2.357276|2.504467|3.008034|3.671924|6.537442|7.003199|11.910853|10.516679|388.023441| |2.344038|2.616425|2.666628|2.219539|2.033993|2.153432|2.559528|2.945058|5.097868|4.680810|7.535227|7.100249|76.837737|36.858105| |2.379144|2.675959|2.643016|2.190026|2.039131|2.164261|2.601798|2.921625|5.114145|4.396053|6.714654|6.767783|50.181471|14.904658|53.358707| |2.070893|2.275852|2.229398|1.896175|1.785422|1.883098|2.210663|2.419793|4.040273|3.339700|5.304892|4.551004|35.061984|8.859456|18.901587|53.358707| |1.924747|2.088736|2.081111|1.792325|1.676792|1.761470|2.036128|2.243443|3.669459|3.093835|5.108409|4.054482|35.098847|8.920325|12.224833|20.311522|36.858105| |2.033985|2.215782|2.255604|1.930609|1.780462|1.871355|2.166771|2.443560|4.027352|3.553535|6.008463|4.717678|48.473753|13.827443|11.888832|11.834652|14.001955|53.358707| |1.844710|1.982865|2.049640|1.790980|1.648640|1.726116|1.958357|2.201337|3.507930|3.079404|5.460999|3.764620|38.997455|7.232376|7.148277|7.277114|7.732695|17.668416|36.858105| |1.929683|2.058348|2.167094|1.898490|1.718688|1.784761|2.006523|2.302209|3.619220|3.251748|6.046884|3.785646|41.766431|5.984498|5.895068|5.519891|5.056333|10.287171|12.458576|36.858105| |1.704250|1.795263|1.895415|1.699928|1.548635|1.601769|1.765903|1.994822|3.040811|2.647840|4.992056|2.935275|28.937590|4.072131|4.417058|4.304051|3.846231|6.730927|7.563460|12.427065|36.858105| |1.573752|1.638276|1.699966|1.533442|1.406738|1.444964|1.583980|1.767366|2.677574|2.273502|4.196188|2.531179|23.503306|3.531000|4.024135|4.111616|3.724029|6.013025|6.429281|7.500183|12.465827|36.858105| |1.528007|1.600733|1.642542|1.475876|1.368154|1.413781|1.560570|1.721342|2.633158|2.213543|3.986904|2.526967|22.994708|3.747333|4.368189|4.709828|4.492880|6.845676|7.513030|6.430975|7.558899|12.463931|36.858105| |1.685460|1.779992|1.811153|1.601136|1.481727|1.535222|1.719632|1.908247|2.983967|2.533465|4.470199|3.013304|28.105401|5.084893|5.785875|6.470487|6.905959|10.760620|12.396282|7.574652|6.498618|7.569968|12.448829|36.858105| |1.595415|1.689840|1.698031|1.505200|1.411157|1.468097|1.647462|1.796421|2.809722|2.329664|4.021482|2.791123|24.269268|4.598980|5.776717|7.215841|7.939578|9.202920|7.502345|4.909650|4.362975|4.918803|7.552263|12.519826|36.858105| |1.453204|1.529478|1.534483|1.375243|1.296857|1.346510|1.496762|1.615768|2.490765|2.034348|3.528482|2.378849|20.031883|3.576558|4.621192|5.632491|5.453431|6.475107|5.308607|3.932083|3.774405|4.446767|6.845342|7.968140|15.924202|73.516695| |1.699291|1.818513|1.809710|1.587399|1.495030|1.563478|1.776804|1.930320|3.070263|2.532845|4.263468|3.136235|26.406531|5.492332|7.469427|10.941367|13.790630|10.835624|6.692890|4.429919|3.694618|3.845019|5.072324|7.783130|13.913118|15.111313|53.358707| |1.589969|1.698945|1.672561|1.478342|1.409587|1.475789|1.670785|1.781788|2.806051|2.251563|3.754546|2.736505|21.538012|4.186102|6.187678|9.070727|7.769209|6.994388|4.445484|3.306228|2.893355|3.025266|3.828506|4.982377|7.744409|12.344520|17.628890|36.858105| |1.491648|1.606082|1.594919|1.421661|1.368677|1.447338|1.634774|1.719756|2.688229|2.140333|3.579540|2.561048|19.871721|3.690427|5.389756|7.196965|5.811205|5.913894|3.936571|2.991857|2.686037|2.750128|3.429659|4.141852|5.862399|10.159845|10.510504|12.666325|36.858105| |1.496866|1.624897|1.607936|1.434384|1.394619|1.485756|1.685362|1.748551|2.734589|2.143471|3.543000|2.557221|19.042808|3.454639|5.242011|6.733539|4.861834|5.157807|3.346999|2.650167|2.370873|2.370519|2.830326|3.341458|4.276120|7.294299|7.446453|7.649029|14.456577|36.858105| |3.113189|4.117388|4.827492|4.341746|4.857789|7.496324|12.378754|7.471958|8.829910|4.898166|7.691661|3.970645|21.680018|2.625852|3.637497|3.100767|2.098858|3.032806|2.016299|2.039187|1.797790|1.604483|1.593606|1.754574|1.692882|2.736233|2.494333|1.729580|1.720459|1.791813|36.858105| |2.680301|3.375000|3.684671|3.526454|4.190213|6.140907|7.372923|4.836749|5.973910|3.560532|5.717863|3.123008|17.832571|2.258121|3.173593|2.785278|1.884479|2.669969|1.786810|1.784418|1.596260|1.443933|1.445425|1.580498|1.545901|2.525445|2.277335|1.606081|1.614475|1.699549|12.446481|36.858105| |17.548090|8.800985|5.433306|4.579719|3.987976|3.338616|3.576590|4.026171|5.251574|3.360301|5.486944|3.041674|17.921025|2.285095|3.208569|2.824091|1.913930|2.714379|1.797544|1.858311|1.642057|1.532671|1.499501|1.660000|1.585221|2.573246|2.309063|1.600159|1.494185|1.501987|2.832623|2.502723|0.500000| |17.567362|8.715926|6.542670|6.516397|5.271186|3.926228|3.872773|4.354800|5.118615|3.256677|5.550442|2.798894|16.826085|2.088988|2.870825|2.530681|1.742042|2.501412|1.687716|1.768896|1.583093|1.464966|1.418994|1.549247|1.468630|2.394250|2.115347|1.460657|1.379759|1.386233|2.958474|2.599659|0.302732|0.500000| |17.537174|8.768455|6.813874|5.505772|4.161562|3.445663|3.659497|4.533910|5.773255|3.864860|6.611173|3.326025|20.076959|2.444811|3.320974|2.882927|1.989266|2.894503|1.939913|2.058722|1.814747|1.671509|1.607591|1.771531|1.657800|2.676266|2.386821|1.624202|1.513575|1.505611|2.891035|2.465175|0.301780|0.301716|0.500000| |8.880520|17.541388|8.736149|6.715610|6.599209|5.558935|6.398787|6.596390|7.601192|4.171788|6.512471|3.522972|19.349559|2.409476|3.404081|2.934273|1.967345|2.801874|1.843377|1.889368|1.660820|1.524597|1.501218|1.664419|1.598236|2.586858|2.349090|1.632036|1.555325|1.587578|4.340012|3.699285|0.211973|0.212111|0.173192|0.500000| |8.944583|17.544073|8.869257|5.456583|4.643462|4.315692|5.430871|6.953420|10.065287|5.588676|8.196624|4.736008|24.535781|2.993999|4.235588|3.531999|2.344346|3.377818|2.175738|2.238333|1.920191|1.752082|1.723141|1.943291|1.848410|2.950235|2.737794|1.872677|1.755899|1.776534|4.069706|3.311287|0.218665|0.173523|0.210122|0.304701|0.500000| |4.703053|5.463303|8.877799|17.503067|8.888973|6.855706|5.692106|6.951346|6.371289|4.092802|7.757174|3.106711|18.991533|2.200933|2.908769|2.521950|1.770904|2.622037|1.809282|1.939636|1.748544|1.564287|1.494116|1.609018|1.501940|2.441040|2.140154|1.456491|1.405975|1.413565|4.221310|3.397498|0.103680|0.137679|0.127681|0.137338|0.123716|0.500000| |4.042302|4.581022|5.473387|8.836157|17.532671|8.857541|5.451898|4.865669|4.860584|3.008719|5.318658|2.474982|15.029513|1.838700|2.497134|2.212401|1.538490|2.220140|1.526396|1.595021|1.453678|1.324921|1.285295|1.380361|1.314894|2.160072|1.884057|1.308373|1.274423|1.296796|4.065676|3.700831|0.095575|0.127136|0.100061|0.137024|0.103150|0.215568|0.500000| |3.384355|4.223690|5.595237|6.782341|8.874559|17.485200|8.868430|6.793889|6.285887|3.803523|6.747565|2.989647|17.784682|2.121681|2.858729|2.492532|1.731884|2.526132|1.731894|1.805970|1.631655|1.461906|1.422108|1.533450|1.457962|2.379706|2.098575|1.448368|1.426326|1.459046|7.021417|5.656302|0.081538|0.095901|0.087295|0.121800|0.103341|0.201647|0.217548|0.500000| |4.299401|6.299243|6.361994|4.380395|4.091090|4.609236|7.144475|8.982940|26.061427|9.439519|10.875334|7.669643|31.864738|3.770059|5.416325|4.269764|2.771448|4.032401|2.529297|2.543955|2.135538|1.907279|1.902363|2.174964|2.082748|3.284213|3.145031|2.139322|2.046765|2.103883|6.227534|4.487641|0.110106|0.101691|0.112534|0.163225|0.220565|0.110579|0.092505|0.114247|0.500000| |2.912053|3.573743|3.729998|2.938088|2.734719|3.048021|3.986969|4.652660|9.643106|8.848748|10.954103|17.620263|56.411555|6.743501|9.668634|6.525132|4.126199|6.250469|3.629526|3.484493|2.757285|2.401571|2.449022|2.917627|2.786031|4.242977|4.346857|2.844950|2.726052|2.786330|4.247472|3.385110|0.077101|0.071243|0.081215|0.092384|0.116890|0.079684|0.066347|0.081950|0.208537|0.500000| |3.509156|4.232632|4.159672|3.126504|2.796054|2.943588|3.752987|4.661783|9.632121|8.848769|10.949138|17.620700|56.445851|6.729132|9.747583|6.523434|4.104515|6.216099|3.566372|3.532859|2.760890|2.448782|2.462662|2.967081|2.784040|4.222135|4.312903|2.794321|2.554125|2.546703|3.594876|2.914514|0.093896|0.082404|0.100459|0.103924|0.149047|0.082829|0.067364|0.077659|0.211145|0.303666|0.500000| |2.052190|2.162948|2.256282|1.961924|1.757605|1.802320|2.024469|2.349825|3.697832|3.323044|6.165140|3.862807|41.896612|5.893667|5.918801|5.473784|4.864591|9.479238|8.868256|17.534232|8.805649|6.730699|5.645100|6.839753|4.568761|6.555933|5.732085|3.185397|2.801013|2.494794|2.019985|1.762013|0.055032|0.051916|0.061518|0.054625|0.065684|0.055380|0.045204|0.050354|0.072248|0.095651|0.103531|0.500000| |1.727067|1.806294|1.924190|1.737546|1.570158|1.613405|1.762978|2.005595|3.015029|2.626008|5.064664|2.821388|27.321187|3.606265|3.975690|3.796826|3.263798|5.575159|5.519644|8.879521|17.558008|8.808590|5.498205|4.871167|3.534443|5.574329|4.218965|2.508637|2.338820|2.102186|1.779865|1.574847|0.045950|0.044738|0.051448|0.046192|0.053241|0.049998|0.041087|0.045876|0.058202|0.072617|0.073685|0.214871|0.500000| |1.621799|1.671369|1.722878|1.551001|1.414628|1.440338|1.575973|1.768034|2.674154|2.264503|4.175037|2.513451|23.080220|3.445713|3.966666|4.034916|3.592595|5.727330|5.624884|6.739615|8.852860|17.503014|8.851166|6.803712|4.559286|7.315723|4.988609|2.912000|2.584099|2.241911|1.578360|1.418326|0.043999|0.041841|0.048166|0.043007|0.049717|0.043802|0.036992|0.040326|0.052960|0.065351|0.068662|0.197139|0.214795|0.500000| |1.446344|1.503467|1.530273|1.382064|1.285623|1.322116|1.451660|1.590882|2.416282|2.002260|3.586589|2.268237|19.908946|3.241168|3.921467|4.303865|3.990852|5.698852|5.498527|4.834331|5.496442|8.789330|17.614996|8.886916|7.037202|13.156253|6.404084|3.747320|3.313754|2.718264|1.476121|1.349038|0.039646|0.037405|0.042206|0.039304|0.044854|0.038730|0.033641|0.036832|0.048759|0.061215|0.062242|0.126588|0.123082|0.214319|0.500000| |1.675686|1.794462|1.745235|1.532611|1.464510|1.531527|1.744854|1.856254|2.944913|2.338747|3.839404|2.875209|21.812396|4.281760|6.799199|10.603022|7.527142|6.666773|3.991860|3.083634|2.654840|2.727966|3.302048|4.263375|5.814028|9.122641|12.545338|17.673611|8.895555|7.254460|1.798190|1.671609|0.047162|0.042552|0.047344|0.048007|0.055382|0.041649|0.037606|0.041458|0.063181|0.083484|0.083301|0.084357|0.065080|0.074261|0.089539|0.500000| |1.498466|1.583674|1.555792|1.385385|1.320214|1.372764|1.539152|1.639699|2.549857|2.034837|3.426456|2.421173|19.050837|3.533993|5.085274|6.877950|5.846115|5.853196|3.959801|3.055063|2.760556|2.988375|3.822913|4.748674|7.460100|13.946572|12.596466|17.649924|8.915640|5.921096|1.582287|1.475796|0.042003|0.038390|0.042621|0.042267|0.048195|0.037935|0.034191|0.037453|0.053768|0.068930|0.068998|0.082813|0.066900|0.080780|0.108937|0.301154|0.500000| |1.407649|1.509880|1.511498|1.357419|1.305763|1.380060|1.546488|1.627439|2.518526|2.012546|3.413379|2.367162|18.710108|3.358522|4.690612|5.897286|4.985781|5.481884|3.916247|2.989730|2.770140|2.874809|3.666049|4.220074|5.999593|11.347122|9.138908|8.666809|17.681114|9.148188|1.630126|1.531550|0.039010|0.036345|0.039783|0.040572|0.045513|0.037494|0.033926|0.037996|0.052737|0.069406|0.064836|0.076513|0.066515|0.073702|0.098987|0.172020|0.210271|0.500000| |1.577670|1.719348|1.684066|1.493313|1.456136|1.551703|1.772842|1.832268|2.886607|2.239222|3.647279|2.698130|19.455099|3.554361|5.673528|7.384661|4.858446|5.085562|3.173300|2.556602|2.252940|2.235174|2.613824|3.122274|3.868198|6.434203|6.915677|6.948965|9.094245|17.702597|1.880184|1.786741|0.044204|0.040424|0.043870|0.046833|0.052566|0.040615|0.037454|0.042032|0.062506|0.082448|0.075749|0.067928|0.056055|0.059523|0.069729|0.217824|0.149618|0.173465|0.500000| |1.416277|1.539508|1.532408|1.378243|1.348282|1.443242|1.628030|1.673367|2.590348|2.017609|3.355758|2.362064|17.484388|3.047038|4.516144|5.441651|3.966320|4.479209|3.004042|2.436804|2.220525|2.206912|2.600969|2.964829|3.653275|6.382410|5.923161|5.482354|9.107316|17.711270|1.746726|1.672782|0.039360|0.036641|0.039454|0.041980|0.046398|0.037844|0.034957|0.039510|0.055143|0.071833|0.064572|0.063238|0.055053|0.057586|0.069371|0.143065|0.128471|0.218112|0.288892|0.500000| |3.044808|4.026152|4.534455|3.836971|4.043523|5.484215|8.836940|6.982327|10.242873|5.683655|8.355397|4.778484|24.762544|3.011973|4.226278|3.534877|2.360007|3.406918|2.224693|2.221396|1.929566|1.716435|1.718364|1.914819|1.854774|2.975380|2.765259|1.913151|1.905028|1.994769|17.568870|8.927113|0.078118|0.078472|0.079447|0.115240|0.116732|0.103138|0.094882|0.143283|0.213024|0.150074|0.117336|0.060866|0.052570|0.046762|0.044023|0.055491|0.048153|0.049795|0.058481|0.053802|0.500000| |2.877866|3.673057|4.518599|4.231293|4.564502|6.875084|8.845612|6.833013|7.885630|4.809632|8.077498|3.808868|21.795253|2.581242|3.490029|2.986090|2.055537|3.009844|2.033807|2.082143|1.849213|1.634895|1.611342|1.758574|1.682109|2.721716|2.453279|1.688535|1.686219|1.744551|17.506819|8.847713|0.072082|0.076782|0.075938|0.103790|0.099872|0.121345|0.110269|0.212155|0.143870|0.111383|0.093361|0.056870|0.051148|0.044476|0.041294|0.048295|0.042996|0.044744|0.050321|0.047438|0.305017|0.500000| |2.364156|2.902552|3.145718|2.991711|3.409965|4.638368|5.427162|4.049830|5.298598|3.321904|5.375740|3.012352|17.567829|2.255724|3.171830|2.807208|1.903816|2.686628|1.803267|1.785310|1.602474|1.449065|1.458691|1.592177|1.566178|2.564211|2.309856|1.635912|1.663891|1.764311|8.811130|17.550680|0.061914|0.063463|0.061316|0.086434|0.080620|0.081567|0.085847|0.125534|0.110727|0.092754|0.077227|0.048508|0.043692|0.039294|0.037770|0.047129|0.041632|0.043931|0.051383|0.048627|0.219167|0.210549|0.500000| |2.578692|3.169927|3.505153|3.556131|4.421115|6.644836|6.518676|4.378284|5.148969|3.142932|5.212481|2.734932|16.089168|2.032545|2.828381|2.508414|1.715055|2.434564|1.649440|1.660323|1.501274|1.361423|1.355576|1.469107|1.432587|2.352823|2.091882|1.475747|1.482588|1.552516|8.709307|17.573365|0.066527|0.070999|0.065834|0.096817|0.084054|0.096309|0.112635|0.176006|0.104665|0.080461|0.071369|0.045616|0.041389|0.037200|0.035246|0.042481|0.037921|0.039291|0.045083|0.042556|0.173383|0.212041|0.302829|0.500000| |2.758705|3.481134|3.594812|3.392266|4.072010|5.563089|6.772303|4.508040|5.734754|3.368338|5.302397|3.038560|17.152507|2.218044|3.172739|2.799744|1.873777|2.622085|1.739889|1.723812|1.538698|1.403904|1.412891|1.551959|1.529263|2.501499|2.266819|1.612039|1.614927|1.708637|8.760967|17.526075|0.072789|0.074043|0.069368|0.109641|0.095592|0.088000|0.099029|0.133143|0.125891|0.091671|0.080896|0.047557|0.042035|0.038453|0.036795|0.046974|0.041176|0.042306|0.050331|0.046573|0.208827|0.172752|0.301959|0.301668|0.500000| |6.955016|8.955530|17.521110|8.911537|5.509731|4.875608|5.477186|8.984619|9.636133|6.236072|11.304962|4.407150|25.384465|2.831603|3.733713|3.131333|2.172845|3.257571|2.188515|2.359712|2.053313|1.828259|1.746358|1.925023|1.779556|2.846130|2.562774|1.719061|1.626744|1.623614|4.084698|3.167525|0.142891|0.166051|0.210336|0.173874|0.214482|0.221843|0.123965|0.127999|0.157806|0.104794|0.121891|0.069038|0.058420|0.051759|0.045039|0.049599|0.044501|0.042943|0.046998|0.042815|0.110437|0.110665|0.077599|0.083732|0.085075|0.500000| |6.835725|6.849868|8.774402|17.565048|8.809706|5.494259|4.772077|5.503441|5.591060|3.545621|6.380764|2.847491|17.318350|2.071953|2.783878|2.436611|1.698883|2.480750|1.699357|1.806129|1.628456|1.481201|1.421423|1.535948|1.443173|2.352696|2.062282|1.413632|1.352916|1.359766|3.501874|2.975206|0.139304|0.233377|0.174254|0.170445|0.139668|0.304851|0.212638|0.139814|0.103323|0.072791|0.079371|0.052244|0.046412|0.041874|0.037162|0.040712|0.037015|0.035925|0.039293|0.036240|0.088363|0.094727|0.071547|0.083665|0.080971|0.210892|0.500000| |5.302962|6.542813|6.711072|8.815947|17.523978|8.839423|6.611219|5.622390|5.661201|3.308656|5.557643|2.749429|16.053870|1.987933|2.750238|2.420413|1.657275|2.370307|1.601440|1.654687|1.488509|1.363382|1.333813|1.449943|1.390371|2.274967|2.014366|1.404633|1.360153|1.390138|4.433435|4.009488|0.125385|0.165002|0.119890|0.228892|0.137449|0.173709|0.304418|0.173969|0.112467|0.073801|0.076738|0.047180|0.041731|0.038191|0.034960|0.040770|0.036588|0.035905|0.040533|0.037259|0.105949|0.110712|0.090744|0.115395|0.114288|0.137926|0.212568|0.500000| |3.364580|4.218153|4.820753|5.510551|8.865735|17.567908|8.812592|5.507059|5.612370|3.293793|5.542525|2.740448|16.031525|1.985920|2.742645|2.416995|1.657737|2.371256|1.608957|1.647696|1.488289|1.352286|1.331013|1.441567|1.390309|2.279088|2.017876|1.412357|1.393307|1.438952|6.832104|6.887068|0.083823|0.096133|0.083155|0.134192|0.103062|0.140400|0.213030|0.303846|0.110784|0.076769|0.073265|0.046043|0.041479|0.037372|0.034708|0.040756|0.036550|0.036909|0.041804|0.039008|0.139759|0.168545|0.139549|0.232725|0.178271|0.107205|0.123483|0.216587|0.500000| |4.357379|6.519194|6.698018|5.620496|6.705827|8.878887|17.460634|8.840180|9.485831|4.683879|7.085444|3.843918|20.387738|2.519238|3.567931|3.047844|2.034775|2.902140|1.906565|1.930010|1.695142|1.536886|1.525700|1.690533|1.634929|2.644192|2.418511|1.686217|1.643847|1.703696|8.894297|6.859967|0.109450|0.113270|0.104442|0.221833|0.169524|0.131724|0.138291|0.174385|0.208208|0.108237|0.105156|0.054387|0.046759|0.042631|0.039625|0.049352|0.043163|0.042924|0.050225|0.045568|0.212104|0.174169|0.141572|0.164001|0.206288|0.138379|0.124908|0.194151|0.216128|0.500000| |4.065258|5.478763|8.939623|7.041478|5.809351|6.933419|8.909562|17.599493|12.750880|7.506884|13.838555|4.743920|26.485659|2.896896|3.804428|3.169423|2.198735|3.308961|2.231974|2.372777|2.071561|1.812668|1.748170|1.918981|1.788580|2.862847|2.587470|1.741910|1.690223|1.709318|6.928751|4.528908|0.095055|0.105436|0.110963|0.136604|0.143841|0.212546|0.130236|0.203873|0.181897|0.121733|0.117050|0.066702|0.058340|0.050123|0.044658|0.049892|0.044599|0.044789|0.049269|0.045650|0.175465|0.207928|0.108884|0.117398|0.111833|0.224824|0.143207|0.132683|0.141095|0.174527|0.500000| |1.739917|1.883362|1.961656|1.729942|1.607832|1.700369|1.924936|2.135318|3.376845|2.935510|5.220534|3.526239|34.980306|6.129484|6.429363|6.595194|6.632614|12.500994|17.518630|8.898314|6.889520|5.717775|6.852219|8.847132|6.794719|9.184279|8.335353|4.329315|4.134185|3.531143|2.015359|1.797772|0.046975|0.044519|0.050415|0.049052|0.056972|0.048760|0.041485|0.047646|0.067585|0.097662|0.090646|0.174326|0.141146|0.131660|0.140720|0.105787|0.105961|0.118053|0.090639|0.089916|0.061853|0.056849|0.050912|0.046087|0.048369|0.057637|0.045372|0.043252|0.044234|0.051819|0.060557|0.500000| |2.035185|2.201321|2.363979|2.060801|1.856355|1.944596|2.199687|2.554131|4.040425|3.744137|7.158382|4.301175|51.579349|6.220915|5.977859|5.291983|4.580593|9.215358|8.825849|17.624417|8.896891|5.503817|4.843474|5.507887|4.065490|5.947102|5.283467|3.012958|2.803938|2.553357|2.250895|1.941657|0.053852|0.051814|0.060281|0.055910|0.066352|0.058985|0.047702|0.055057|0.077502|0.108832|0.106562|0.302821|0.215324|0.139195|0.106776|0.079406|0.076397|0.077346|0.068961|0.065970|0.068344|0.064526|0.053984|0.050060|0.051616|0.071843|0.053927|0.049221|0.049527|0.058060|0.074206|0.215503|0.500000| |1.619806|1.718967|1.825125|1.648405|1.514859|1.580902|1.739840|1.944458|2.949929|2.551452|4.809156|2.808130|27.076157|3.806878|4.195196|4.108016|3.640654|6.210568|6.818106|8.852485|17.505545|8.858908|6.792845|5.683873|4.148184|6.532553|4.822097|2.828946|2.716613|2.410469|1.795039|1.601827|0.043285|0.042003|0.047529|0.044492|0.050837|0.047272|0.039605|0.044953|0.057551|0.074847|0.072297|0.173421|0.303861|0.173800|0.139315|0.071471|0.074494|0.079134|0.062891|0.063589|0.053536|0.051607|0.045013|0.041866|0.042692|0.054433|0.043646|0.040341|0.040961|0.046217|0.056407|0.203693|0.217351|0.500000| |1.459977|1.513820|1.574684|1.436343|1.322962|1.357532|1.474769|1.633198|2.442329|2.049647|3.801755|2.239260|20.156979|2.963904|3.462240|3.537682|3.115718|4.856298|4.835639|5.477876|8.828245|17.549338|8.843469|5.509644|4.080873|6.953528|4.434934|2.675557|2.489613|2.167425|1.496113|1.355495|0.039474|0.038014|0.042974|0.039300|0.044613|0.040833|0.034808|0.038279|0.048268|0.059434|0.060076|0.138480|0.210928|0.303488|0.210659|0.067156|0.074271|0.073197|0.056560|0.056813|0.044160|0.042497|0.037850|0.035688|0.036556|0.046879|0.038634|0.035578|0.035408|0.039689|0.046696|0.128215|0.123718|0.215469|0.500000| |1.459887|1.538887|1.586940|1.433333|1.337657|1.391932|1.534537|1.678536|2.558825|2.141414|3.858402|2.430945|21.850619|3.529860|4.157133|4.485312|4.219002|6.317774|6.793654|5.645118|6.778547|8.829435|17.527454|8.861691|6.883163|11.856809|6.546853|3.760880|3.563474|2.938253|1.583535|1.443358|0.039716|0.037809|0.042412|0.040312|0.045839|0.040418|0.034978|0.039025|0.051349|0.066501|0.064972|0.130821|0.139076|0.173514|0.304660|0.088796|0.103077|0.109738|0.073895|0.076307|0.047457|0.044651|0.040728|0.037607|0.039068|0.046577|0.038197|0.036153|0.036523|0.041562|0.047538|0.202837|0.126936|0.199085|0.214808|0.500000| 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