Version2.1 2021-01-08T16:02:46Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 22-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H](CC1=c2ccccc2=[NH+]C1)NC(=O)CNC(=O)c3ccc4c(c3)S[C@@H](N4)n5cccc5 C63948425 RHF 6-31G(d) (6D,7F) C[C@@H](CC1=c2ccccc2=[NH+]C1)NC(=O)CNC(=O)c3ccc4c(c3)S[C@@H](N4)n5cccc5 C01[X(C25H26N5O2S1)] 171 C1 551 O=C(N[C@H](CC1=c2ccccc2=[NH+]C1)C)CNC(=O)c1ccc2c(c1)S[C@@H](N2)n1cccc1 O=C(N[C@H](CC1=c2ccccc2=[NH+]C1)C)CNC(=O)c1ccc2c(c1)S[C@@H](N2)n1cccc1 C[C@@H](CC1=C2C=CC=CC2=[NH+]C1)NC(=O)CNC(=O)c3ccc4N[C@H](Sc4c3)n5cccc5 InChIKey=URYUJQBFQRMQFB-LMKMVOKYSA-O InChI=1S/C25H25N5O2S/c1-16(12-18-14-26-20-7-3-2-6-19(18)20)28-23(31)15-27-24(32)17-8-9-21-22(13-17)33-25(29-21)30-10-4-5-11-30/h2-11,13,16,25,29H,12,14-15H2,1H3,(H,27,32)(H,28,31)/p+1/t16-,25-/m0/s1 InChI=1/C25H25N5O2S/c1-16(12-18-14-26-20-7-3-2-6-19(18)20)28-23(31)15-27-24(32)17-8-9-21-22(13-17)33-25(29-21)30-10-4-5-11-30/h2-11,13,16,25,29H,12,14-15H2,1H3,(H,27,32)(H,28,31)/p+1/t16-,25-/m0/s1/fC25H26N5O2S/h26-28H/q+1 C[C@@H](CC1=c2ccccc2=[NH+]C1)NC(=O)CNC(=O)c3ccc4c(c3)S[C@@H](N4)n5cccc5 C01[X(C25H26N5O2S1)] 171 C01 551 O=C(N[C@H](CC1=c2ccccc2=[NH+]C1)C)CNC(=O)c1ccc2c(c1)S[C@@H](N2)n1cccc1 O=C(N[C@H](CC1=[C]2[CH]=[CH][CH]=[CH][C]2[NH]C1)C)CNC(=O)[C]1[CH][CH][C]2[C]([CH]1)S[C@@H](N2)N1C=[CH][CH]=C1 C[C@@H](CC1=C2C=CC=C[C]2NC1)NC(=O)CNC(=O)[C]3[CH][CH][C]4N[C@H](S[C]4[CH]3)n5cccc5 InChIKey=AUFXMCVFBMPHRY-LMKMVOKYSA-N InChI=1S/C25H26N5O2S/c1-16(12-18-14-26-20-7-3-2-6-19(18)20)28-23(31)15-27-24(32)17-8-9-21-22(13-17)33-25(29-21)30-10-4-5-11-30/h2-11,13,16,25-26,29H,12,14-15H2,1H3,(H,27,32)(H,28,31)/t16-,25-/m0/s1 InChI=1/C25H26N5O2S/c1-16(12-18-14-26-20-7-3-2-6-19(18)20)28-23(31)15-27-24(32)17-8-9-21-22(13-17)33-25(29-21)30-10-4-5-11-30/h2-11,13,16,25-26,29H,12,14-15H2,1H3,(H,27,32)(H,28,31)/t16-,25-/m0/s1/f/h27-28H 3431.7389243761 -1781.1612545 1-A 19753.5093 121 430 551 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.03032 -20.63488 -20.62451 -15.75076 -15.69805 -15.68186 -15.67744 -15.67043 -11.46028 -11.45577 -11.44815 -11.43011 -11.42567 -11.40677 -11.39938 -11.39625 -11.38443 -11.37915 -11.37800 -11.37679 -11.36953 -11.36848 -11.36330 -11.34678 -11.33615 -11.33479 -11.33043 -11.32434 -11.31860 -11.31407 -11.31268 -11.27266 -11.26931 -9.04075 -6.72332 -6.72237 -6.72002 -1.50661 -1.48838 -1.45728 -1.40107 -1.35428 -1.34520 -1.33476 -1.28468 -1.24762 -1.24240 -1.17905 -1.16021 -1.15355 -1.14363 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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 6 6 1 6 6 6 6 6 6 6 6 7 1 6 7 6 8 6 7 6 8 6 6 6 6 6 6 16 6 1 7 7 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 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 14.00307 12.00000 15.99491 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 1.00783 14.00307 14.00307 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 8879.7911 28764.0247 34175.2052 0.99998 0.00611 -0.00146 -0.00610 0.99998 0.00043 0.00146 -0.00042 1.00000 1 0.00975 0.00301 0.00253 0.20324 0.06274 0.05281 9.32 15.10 28.94 43.20 51.73 55.57 83.21 88.08 112.35 118.47 143.18 149.29 195.74 203.25 251.34 254.11 286.54 322.31 326.29 346.03 358.41 381.64 411.32 418.49 444.04 464.70 505.17 522.61 544.18 597.08 606.69 623.75 673.86 677.69 703.38 710.63 721.45 732.99 737.91 766.46 782.68 794.04 811.99 830.78 853.65 892.80 915.95 928.22 938.50 966.46 985.27 1019.09 1104.18 1136.23 1139.97 1141.76 1158.37 1170.53 1181.42 1199.23 1201.16 1227.14 1236.64 1251.45 1312.64 1325.27 1342.75 1366.45 1368.76 1376.76 1396.69 1406.00 1407.78 1462.70 1464.49 1484.80 1499.48 1503.70 1520.18 1521.99 1548.29 1552.31 1605.96 1611.40 1625.13 1643.22 1661.49 1670.62 1673.19 1692.99 1704.65 1736.48 1740.37 1749.86 1793.85 1812.70 1821.99 1842.59 1855.53 1873.24 1895.03 1896.67 1917.89 1923.79 1958.74 1986.11 1989.74 2000.88 2016.25 2036.79 2039.31 2057.91 2062.41 2082.15 2093.46 2145.68 2161.45 2202.27 2212.00 2239.06 2249.31 2251.27 2254.65 2263.10 2286.38 2291.16 2297.19 2319.33 2337.57 2339.23 2356.89 2362.50 2379.23 2383.94 2397.43 2450.64 2463.95 2504.56 2505.84 2547.66 2555.15 2572.07 2664.76 2724.46 2820.82 4618.83 4640.31 4647.68 4672.02 4710.82 4712.41 4747.99 4750.23 4754.62 4763.32 4782.66 4857.25 4874.21 4882.88 4887.98 4904.01 4911.68 4915.22 4924.18 4940.51 4964.73 4975.85 5529.47 5551.10 5585.80 5608.32 0.516414 0.544089 0.545033 0.452803 -1780.644841 -1780.617165 -1780.616221 -1780.708451 3.093409D-04 MUNgauss RevisionA2.0 retrievium 08-Jan-2021 DUDE C[C@@H](CC1=c2ccccc2=[NH+]C1)NC(=O)CNC(=O)c3ccc4c(c3)S[C@@H](N4)n5cccc5 C63948425 RHF 6-31G(d) (6D,10F) C1 460.180722 |X|Y|Z| 121.096499 63.120760 33.238835 63.335889 30 6 7 16 24 5 1 |36.858105| |12.476072|36.858105| |8.880444|17.634071|0.500000| |7.555336|12.277519|0.245946|36.858105| |4.916722|7.469406|0.191948|12.722148|36.858105| |3.993321|5.537860|0.163840|7.401465|14.043026|36.858105| |3.767316|4.836616|0.154312|5.816542|7.428821|13.216672|36.858105| |3.006383|3.668991|0.115699|4.146747|5.136701|7.957870|14.202423|36.858105| |2.619538|3.196063|0.097615|3.591135|4.649436|6.882459|7.866237|13.168502|36.858105| |2.658064|3.316919|0.098294|3.801153|5.290589|7.654485|6.615025|7.714909|14.077258|36.858105| |3.183670|4.187416|0.120952|5.106582|8.430699|13.215723|7.651499|6.817261|8.071719|13.425143|36.858105| |3.165252|4.157606|0.113346|5.087602|8.283489|8.452103|5.298200|4.659094|5.261206|7.719917|14.524176|53.358707| |2.776900|3.518406|0.095934|4.088937|5.847187|5.928957|4.239071|3.951331|4.639522|6.801167|9.276374|26.027949|0.500000| |3.933007|5.431947|0.136608|7.255222|12.742577|8.222174|5.085249|4.106330|4.155705|5.199856|8.384622|17.943729|0.245387|36.858105| |7.810398|13.114485|0.258624|7.637830|6.292327|4.723574|3.941246|3.186647|2.942428|3.168778|3.987297|5.769653|0.103133|5.625514|53.358707| |5.234926|7.728662|0.208615|5.648482|5.691085|4.694458|3.896828|3.272417|3.122690|3.422132|4.240908|6.154472|0.112724|5.517018|19.120165|36.858105| |4.593083|6.805325|0.217031|5.402809|6.034357|5.504333|4.605851|3.891603|3.718294|4.056349|4.990110|6.784927|0.122171|5.553928|11.560976|15.879980|73.516695| |4.026934|5.004409|0.132332|4.051697|4.099975|3.523168|3.005150|2.647191|2.608195|2.877398|3.406180|5.112758|0.099788|4.363509|10.670198|12.488254|14.140884|36.858105| |3.164469|3.870837|0.106956|3.380786|3.646044|3.312379|2.838006|2.590967|2.645513|2.968113|3.402103|5.139193|0.104931|4.040530|7.096400|7.714587|12.169569|13.287962|53.358707| |2.889876|3.574588|0.097800|3.353055|3.830357|3.511120|2.912573|2.688830|2.840431|3.320755|3.833613|6.119492|0.131661|4.595797|6.228075|6.217533|10.639723|7.896512|19.078237|36.858105| |3.075108|3.880143|0.102456|3.821533|4.504874|3.942317|3.122659|2.823386|2.984498|3.586833|4.367023|7.594699|0.165332|5.993253|6.783768|6.305583|10.364306|7.080995|11.605626|15.725174|73.516695| |2.385017|2.855893|0.079853|2.737859|3.139489|3.033566|2.601411|2.496318|2.715342|3.167455|3.427683|5.292754|0.118980|3.677133|4.643784|4.328714|7.948655|5.066211|10.664300|12.816206|14.326659|36.858105| |2.162563|2.515599|0.071084|2.365164|2.626077|2.566342|2.282099|2.217012|2.382365|2.680689|2.817646|4.171440|0.091348|2.938482|4.029833|3.682362|6.737469|4.401792|8.952168|7.519377|9.371892|13.706422|36.858105| |1.881524|2.153582|0.061111|2.058258|2.283828|2.275850|2.061056|2.043301|2.222883|2.478055|2.521299|3.671039|0.081131|2.529856|3.339828|2.936983|5.442965|3.337479|6.065714|5.009273|7.094428|7.869972|13.748768|36.858105| |1.786976|2.051046|0.058073|2.009402|2.267862|2.290402|2.066755|2.075783|2.310363|2.614246|2.606795|3.812694|0.086452|2.546200|3.123707|2.695081|5.047849|2.945098|5.119331|4.465913|6.786891|6.851976|7.982544|13.752893|36.858105| |1.906013|2.222887|0.062541|2.223347|2.574967|2.604205|2.294220|2.298654|2.609497|3.060095|3.068196|4.616868|0.108944|2.985453|3.384731|2.919466|5.499002|3.121745|5.388455|5.104391|8.131647|7.956889|6.919037|7.907557|13.636273|36.858105| |2.193835|2.618674|0.073111|2.616238|3.084880|3.054951|2.603205|2.547461|2.869415|3.453403|3.634576|5.715249|0.137207|3.709739|4.091946|3.628583|6.806345|3.917294|7.061464|7.721502|12.087168|13.622809|7.929026|6.826257|7.920429|13.919691|36.858105| |1.694052|1.949311|0.054748|1.996204|2.313579|2.380945|2.127581|2.174192|2.515038|2.941260|2.839735|4.208357|0.100325|2.661131|2.882073|2.396719|4.513130|2.479460|4.006846|3.598751|6.188714|4.655762|4.225761|4.833446|7.281507|10.774982|6.738941|388.023441| |1.531256|1.734441|0.049144|1.742701|1.971634|2.035580|1.871357|1.927214|2.188831|2.453336|2.344671|3.359140|0.076620|2.189337|2.552423|2.120565|3.994610|2.215916|3.575959|3.033303|5.020520|3.913045|4.006565|5.135561|7.964559|7.359982|4.829250|73.381513|36.858105| |1.425752|1.599507|0.045069|1.612616|1.808015|1.855452|1.711745|1.758198|1.980644|2.203921|2.117327|3.041701|0.069081|2.005085|2.345639|1.922948|3.581346|2.014106|3.196044|2.680256|4.505161|3.341156|3.421749|4.258840|5.961522|5.598691|4.011278|56.508927|17.678654|0.500000| |1.589054|1.798306|0.050963|1.775243|1.987617|2.025764|1.858635|1.889994|2.108066|2.348250|2.294115|3.302723|0.074429|2.201299|2.687928|2.264569|4.235892|2.429737|4.030394|3.383838|5.376590|4.593320|5.161080|7.729883|13.862650|8.221030|5.297260|51.975069|13.187597|0.254143|53.358707| 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|17.583001|8.833699|0.214034|5.491067|4.062122|3.460198|3.331288|2.750697|2.422809|2.443999|2.855500|3.857798|0.070389|3.402099|9.671803|5.154377|7.975175|4.128361|4.367952|2.838812|5.216442|2.356245|2.175653|1.889237|1.772856|1.865892|2.134711|11.707991|1.506534|0.038956|2.145713|1.989777|1.331235|1.316440|1.437488|1.544491|0.301659|0.500000| |17.535184|8.769881|0.173200|6.828197|4.531890|3.601664|3.309665|2.692088|2.400097|2.472686|2.965440|4.134870|0.074908|3.843880|9.518058|4.693322|7.101971|3.853196|4.119457|2.799164|5.383802|2.306951|2.087174|1.819447|1.732997|1.852603|2.131787|11.761163|1.489359|0.038726|2.102021|1.951497|1.309175|1.286163|1.391974|1.497936|0.301835|0.300693|0.500000| |7.066670|8.840837|0.212759|17.573240|8.997727|6.886872|6.293756|4.372633|3.601274|3.638069|4.641451|5.926099|0.099009|5.530920|7.614123|4.440709|7.876849|3.350561|3.917492|2.849279|5.630597|2.406806|2.116928|1.873311|1.838223|2.018391|2.326100|13.103357|1.624958|0.041931|2.238544|2.159713|1.450582|1.438524|1.569164|1.678272|0.214040|0.143467|0.172876|0.500000| |6.920970|8.808817|0.174059|17.556492|8.985864|5.650552|4.508224|3.449406|3.107540|3.347590|4.398694|6.387649|0.108430|6.963632|9.434416|5.020292|8.049962|3.890886|4.394425|3.235082|6.701332|2.636084|2.276287|1.984773|1.941635|2.151337|2.529065|13.809041|1.688745|0.043710|2.341156|2.203935|1.471503|1.439555|1.559337|1.688571|0.171620|0.140974|0.205231|0.302774|0.500000| |4.240645|5.237599|0.171028|6.151245|6.562899|8.712262|17.744220|9.033749|5.588821|4.818644|5.499932|5.840488|0.098213|4.430361|5.427436|3.773729|7.670218|2.903494|3.640738|2.675839|5.059906|2.374592|2.115874|1.910003|1.894906|2.073171|2.337818|13.638840|1.710609|0.043733|2.329318|2.333019|1.571775|1.589504|1.762352|1.857983|0.128241|0.102854|0.100770|0.206177|0.129630|0.500000| |2.783755|3.259985|0.103165|3.564631|4.103953|5.628057|9.045331|17.755410|8.769124|5.589670|4.928360|5.023425|0.089948|3.358039|3.846337|2.880231|5.984351|2.376418|3.163436|2.376649|4.372383|2.232746|2.023172|1.884257|1.907548|2.079000|2.264930|14.088821|1.790390|0.045607|2.390941|2.512448|1.711386|1.769797|1.983632|2.041718|0.081233|0.071771|0.069159|0.106839|0.083902|0.215785|0.500000| |2.301619|2.728540|0.082926|2.991285|3.683603|4.958312|5.656892|8.797644|17.722476|9.098886|5.699695|5.716959|0.108398|3.400408|3.464917|2.708886|5.648512|2.327559|3.253590|2.557744|4.698252|2.510861|2.246105|2.137898|2.241408|2.503471|2.675291|17.549790|2.185445|0.055041|2.831983|3.124892|2.122253|2.214652|2.517093|2.580151|0.064537|0.059938|0.058956|0.083821|0.073475|0.124077|0.215590|0.500000| |2.356553|2.876781|0.083967|3.227715|4.294048|5.495826|4.819409|5.523003|8.952808|17.752679|8.748849|9.240384|0.192123|4.545793|3.852944|3.090454|6.374757|2.705081|3.902642|3.285396|6.261301|3.265092|2.757673|2.601159|2.822029|3.375544|3.723436|23.933453|2.736792|0.067908|3.480073|3.785065|2.488565|2.497249|2.822091|3.053738|0.063938|0.060868|0.061708|0.085223|0.081468|0.105278|0.123185|0.216840|0.500000| |3.671562|4.699696|0.114943|6.483570|8.930311|6.275120|4.321069|3.576603|3.609082|4.387990|6.339005|12.372151|0.202394|17.527117|6.502091|4.444467|7.638475|3.749928|4.711946|3.906915|8.970438|3.222766|2.627510|2.300402|2.332257|2.721714|3.299820|17.712548|2.049855|0.052825|2.785465|2.631398|1.738925|1.676525|1.809343|1.990911|0.094232|0.087555|0.103819|0.144380|0.197900|0.108289|0.083444|0.084270|0.110283|0.500000| |4.021897|5.598071|0.138132|6.428617|8.801573|6.188322|4.275057|3.558158|3.609546|4.405979|6.338440|12.436203|0.212282|17.610430|9.132789|6.975111|11.507398|5.608116|6.918351|5.908889|15.146889|4.325918|3.358175|2.798746|2.763499|3.235775|4.175226|19.707841|2.283368|0.057874|3.186334|2.902849|1.877780|1.803209|1.976611|2.218321|0.097962|0.099001|0.110100|0.133722|0.176548|0.106876|0.083027|0.084389|0.111190|0.300101|0.500000| |7.454849|9.029050|0.183274|6.237241|5.067596|3.894058|3.316758|2.751199|2.570552|2.766658|3.402137|5.022663|0.092359|4.842674|26.027783|9.375529|10.872183|7.536011|6.656762|4.261871|8.273292|3.205613|2.822095|2.347275|2.186506|2.351183|2.817953|14.293715|1.788497|0.046002|2.573221|2.304135|1.515774|1.472413|1.606655|1.767314|0.146586|0.195866|0.213443|0.133848|0.177792|0.093791|0.068790|0.062757|0.069964|0.121943|0.160996|0.500000| |3.952977|4.738976|0.118368|4.016215|3.987197|3.324021|2.801883|2.460503|2.432283|2.704886|3.230275|5.006205|0.098665|4.429014|10.078894|8.854856|10.617292|17.613607|12.567198|7.128489|12.981136|4.660932|3.998245|3.103249|2.789213|2.989489|3.743189|17.166021|2.133863|0.054469|3.162464|2.675561|1.724994|1.646779|1.799588|2.030002|0.090375|0.110093|0.110441|0.091497|0.112759|0.075452|0.061404|0.060407|0.071160|0.109999|0.162008|0.227931|0.500000| |3.967765|4.598955|0.124231|3.601352|3.503672|3.084680|2.737456|2.434567|2.368421|2.548098|2.935606|4.268869|0.083339|3.569250|9.124454|8.956229|11.487804|17.567716|12.624960|5.781420|9.056527|4.248719|3.990427|3.106535|2.699675|2.775106|3.338028|15.908763|2.052816|0.052134|3.082708|2.623324|1.693546|1.636976|1.808780|2.026594|0.091228|0.119169|0.104685|0.085391|0.095982|0.074935|0.061821|0.059449|0.066627|0.087485|0.119967|0.188992|0.302766|0.500000| |2.944924|3.530833|0.100923|3.058308|3.280382|3.086731|2.729233|2.537417|2.591195|2.851919|3.164499|4.603826|0.093943|3.502193|6.131629|6.453225|11.270832|9.152064|26.096736|9.411109|10.992869|7.367354|7.249788|4.842831|3.902269|3.919696|4.879765|20.613178|2.675304|0.065945|4.176646|3.380665|2.108612|2.021085|2.283336|2.650391|0.071954|0.084412|0.077117|0.074043|0.080001|0.071694|0.063957|0.065845|0.076816|0.083880|0.116334|0.116312|0.182078|0.229824|0.500000| |2.222003|2.554166|0.072200|2.342793|2.537870|2.452597|2.204224|2.121829|2.232944|2.466247|2.615659|3.829569|0.081831|2.779616|4.146549|3.810039|6.802375|4.793041|9.897801|6.867574|8.572677|8.877556|17.735202|9.010574|5.687471|4.978025|5.630913|24.281986|3.323087|0.081125|5.676618|4.027655|2.446439|2.281340|2.556609|3.069345|0.055865|0.063020|0.059495|0.058265|0.062669|0.057558|0.054194|0.058390|0.069220|0.069262|0.088717|0.081526|0.118465|0.126166|0.245842|0.500000| |1.759956|1.983739|0.056428|1.882075|2.055246|2.050041|1.885858|1.874924|2.017984|2.207852|2.233322|3.206588|0.069851|2.236286|3.051547|2.645641|4.871975|3.005995|5.263871|4.077579|5.925446|5.615438|8.898650|17.728898|8.892005|5.623385|4.928761|28.492479|4.586574|0.109889|9.406381|5.397745|3.160530|2.854711|3.175129|3.966969|0.045371|0.049479|0.047281|0.047976|0.050471|0.049014|0.048560|0.054336|0.063930|0.056959|0.068137|0.060004|0.077748|0.080059|0.119120|0.217413|0.500000| |2.292740|2.770612|0.076516|2.853186|3.466973|3.416002|2.822911|2.741074|3.127702|3.914587|4.227792|7.059732|0.182471|4.389829|4.293125|3.731066|6.982215|3.867665|6.541681|7.224496|13.616963|8.912032|5.650624|4.931620|5.632224|8.947981|17.765922|44.417728|4.208664|0.100428|5.832031|4.880158|2.915209|2.645149|2.919086|3.583714|0.058697|0.061018|0.062178|0.069949|0.077019|0.069533|0.066683|0.079750|0.118609|0.108290|0.136155|0.081684|0.105039|0.089880|0.120642|0.123985|0.107182|0.500000| |1.518774|1.704961|0.048528|1.670087|1.850372|1.889637|1.755698|1.790374|1.978895|2.167182|2.109593|2.996471|0.066482|2.017688|2.536908|2.130350|3.985926|2.285984|3.754695|3.046383|4.814476|3.991823|4.679447|7.011932|9.282212|5.924515|4.312311|38.210699|9.154195|0.207297|25.998038|9.988643|5.290304|4.293523|4.546237|6.123448|0.039821|0.042099|0.040913|0.043208|0.044858|0.045201|0.046625|0.054584|0.064891|0.052153|0.059441|0.049653|0.060400|0.060099|0.080740|0.110304|0.201627|0.099316|0.500000| |1.285230|1.429447|0.040626|1.447319|1.614836|1.687972|1.595927|1.672512|1.891067|2.048009|1.910609|2.660119|0.059235|1.745910|2.051295|1.659830|3.124215|1.696628|2.618958|2.131576|3.625740|2.521009|2.568476|3.031131|3.757346|3.621390|2.900694|33.578626|6.933515|0.225476|6.655845|12.176167|17.796350|8.643818|5.786902|5.883659|0.034353|0.035121|0.034743|0.038205|0.038991|0.040876|0.044051|0.053906|0.063287|0.046137|0.049376|0.040065|0.045603|0.044434|0.054485|0.063372|0.081331|0.075710|0.133779|0.500000| 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