Version2.0 2020-07-17T10:17:50Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 20-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOC(=O)c1ccc(cc1)N2C(=O)c3cc(ccc3[P@]2(=S)N4CCC(CC4)C(=O)OCC)N(C)C C03198788 RHF 6-31G(d) (6D,7F) CCOC(=O)c1ccc(cc1)N2C(=O)c3cc(ccc3[P@]2(=S)N4CCC(CC4)C(=O)OCC)N(C)C C01[X(C26H32N3O5P1S1)] 198 C1 612 CCOC(=O)C1CCN(CC1)[P@@]1(=S)c2ccc(cc2C(=O)N1c1ccc(cc1)C(=O)OCC)N(C)C CCOC(=O)C1CCN(CC1)[P@@]1(=S)c2ccc(cc2C(=O)N1c1ccc(cc1)C(=O)OCC)N(C)C CCOC(=O)C1CCN(CC1)[P@]2(=S)N(C(=O)c3cc(ccc23)N(C)C)c4ccc(cc4)C(=O)OCC InChIKey=XHFIKHYZOADTHU-DHUJRADRSA-N InChI=1S/C26H32N3O5PS/c1-5-33-25(31)18-7-9-20(10-8-18)29-24(30)22-17-21(27(3)4)11-12-23(22)35(29,36)28-15-13-19(14-16-28)26(32)34-6-2/h7-12,17,19H,5-6,13-16H2,1-4H3/t35-/m0/s1 InChI=1/C26H32N3O5PS/c1-5-33-25(31)18-7-9-20(10-8-18)29-24(30)22-17-21(27(3)4)11-12-23(22)35(29,36)28-15-13-19(14-16-28)26(32)34-6-2/h7-12,17,19H,5-6,13-16H2,1-4H3/t35-/m0/s1 CCOC(=O)c1ccc(cc1)N2C(=O)c3cc(ccc3[P@]2(=S)N4CCC(CC4)C(=O)OCC)N(C)C C01[X(C26H32N3O5P1S1)] 198 C01 612 CCOC(=O)C1CCN(CC1)[P@@]1(=S)c2ccc(cc2C(=O)N1c1ccc(cc1)C(=O)OCC)N(C)C CCOC(=O)[C@@H]1CC[N@](CC1)[P@]1(=S)N([C]2[CH][CH][C]([CH][CH]2)C(=O)OCC)C(=O)[C]2[C]1[CH][CH][C]([CH]2)N(C)C CCOC(=O)[C]1[CH][CH][C]([CH][CH]1)N2C(=O)[C]3[CH][C]([CH][CH][C]3[P@]2(=S)N4CC[C@H](CC4)C(=O)OCC)N(C)C InChIKey=XHFIKHYZOADTHU-DHUJRADRSA-N InChI=1S/C26H32N3O5PS/c1-5-33-25(31)18-7-9-20(10-8-18)29-24(30)22-17-21(27(3)4)11-12-23(22)35(29,36)28-15-13-19(14-16-28)26(32)34-6-2/h7-12,17,19H,5-6,13-16H2,1-4H3/t35-/m0/s1 InChI=1/C26H32N3O5PS/c1-5-33-25(31)18-7-9-20(10-8-18)29-24(30)22-17-21(27(3)4)11-12-23(22)35(29,36)28-15-13-19(14-16-28)26(32)34-6-2/h7-12,17,19H,5-6,13-16H2,1-4H3/t35-/m0/s1 4304.5260080660 -2279.2141355 1-A 25794.7570 140 472 612 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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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 7.5198 15.0237 19.0638 22.4010 32.4008 37.6823 45.2434 48.5973 62.7097 75.1524 77.9814 81.8628 89.9698 92.2579 95.5376 100.8850 116.0348 124.1497 135.1090 155.5608 160.9362 172.7509 181.7112 187.4548 204.6592 215.9742 233.9572 242.6787 262.2465 271.4019 273.3806 284.6250 288.5326 309.4751 317.2329 325.8186 351.4328 375.0270 378.5072 391.3170 407.3038 425.9005 439.4900 443.2414 464.6277 470.1340 474.1177 499.1985 503.3383 509.3254 526.4577 548.4496 556.4077 577.3983 592.6007 612.8683 640.5830 660.9330 697.0540 712.8472 733.1569 748.6155 772.9793 778.3969 787.7255 802.5111 848.9292 862.5850 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137.46 145.15 166.95 178.62 194.39 223.82 231.55 248.55 261.44 269.71 294.46 310.74 336.61 349.16 377.31 390.49 393.33 409.51 415.13 445.27 456.43 468.78 505.63 539.58 544.59 563.02 586.02 612.78 632.33 637.73 668.50 676.42 682.15 718.24 724.19 732.81 757.46 789.10 800.55 830.75 852.62 881.78 921.66 950.94 1002.91 1025.63 1054.85 1077.09 1112.14 1119.94 1133.36 1154.63 1221.42 1241.07 1245.23 1248.02 1268.77 1271.25 1290.67 1323.13 1337.42 1357.93 1372.65 1383.18 1392.87 1401.18 1403.80 1438.68 1469.69 1479.78 1499.74 1526.07 1555.36 1576.34 1585.05 1604.59 1608.70 1615.33 1621.88 1633.74 1656.78 1680.77 1693.76 1704.00 1721.19 1747.15 1772.92 1785.16 1791.22 1792.61 1800.79 1801.79 1811.63 1822.28 1846.06 1860.79 1866.74 1868.46 1868.80 1869.51 1878.43 1892.39 1948.62 1960.24 2006.38 2021.99 2030.49 2050.98 2051.47 2066.02 2080.43 2089.41 2095.55 2097.05 2109.33 2154.65 2172.80 2191.64 2194.19 2219.47 2223.18 2251.39 2253.81 2265.79 2282.13 2287.87 2294.03 2324.54 2337.97 2345.61 2345.77 2355.89 2359.92 2361.02 2363.98 2364.21 2370.24 2374.56 2395.47 2395.54 2405.97 2406.69 2407.01 2425.03 2434.11 2520.09 2548.70 2585.72 2612.64 2858.30 2875.64 2880.65 4554.71 4584.22 4595.35 4602.48 4607.12 4626.04 4626.53 4636.01 4654.50 4684.51 4689.88 4692.04 4698.67 4716.58 4723.61 4723.98 4724.02 4724.73 4724.92 4765.72 4769.35 4770.49 4771.84 4782.16 4792.47 4864.91 4883.52 4906.71 4914.63 4927.01 4928.20 4950.03 0.598829 0.633069 0.634013 0.526696 -2278.615306 -2278.581067 -2278.580122 -2278.687439 3.599430D-04 MUNgauss RevisionA2.0 retrievium 17-Jul-2020 DUDE CCOC(=O)c1ccc(cc1)N2C(=O)c3cc(ccc3[P@]2(=S)N4CCC(CC4)C(=O)OCC)N(C)C C03198788 RHF 6-31G(d) (6D,10F) C1 529.180032 |X|Y|Z| 119.587507 98.462800 42.410779 79.337421 21 6 7 15 18 2 1 |36.858105| |12.584056|36.858105| |8.042830|13.371811|73.516695| |5.276264|8.112991|25.613847|36.858105| |4.620770|7.200319|15.305849|15.989230|73.516695| |4.055827|5.180542|14.416303|12.770467|14.291439|36.858105| |3.183843|3.955457|9.368612|7.706333|12.025280|13.696578|36.858105| |2.685393|3.147770|7.128706|5.080761|8.073171|7.931647|13.806555|36.858105| |2.663268|2.995603|6.834574|4.471602|6.773797|6.879397|7.953319|13.714059|36.858105| |3.108505|3.427637|8.190854|5.030576|7.097539|7.924984|6.865950|7.915770|13.759600|36.858105| |3.972937|4.565633|12.316982|7.556151|9.374737|13.731629|7.928096|6.869646|7.954496|13.751354|36.858105| |2.241801|2.452336|5.329014|3.348605|5.290195|4.537867|5.149786|7.820706|13.332020|7.818483|5.144143|53.358707| |2.033889|2.214066|4.694919|2.933543|4.752806|3.780770|4.330478|6.121911|7.812894|5.524297|4.097741|18.700262|36.858105| |2.066645|2.267561|4.791554|3.021268|4.940607|3.849120|4.465665|6.050610|6.813654|5.090262|4.029170|11.336036|16.006158|73.516695| |1.779865|1.905338|3.942234|2.409559|3.960437|2.962898|3.292023|4.284952|5.134495|4.108042|3.206810|11.011270|12.757864|14.182507|36.858105| |1.615011|1.717366|3.490568|2.114711|3.522392|2.519642|2.769769|3.423659|3.863372|3.266501|2.682127|7.087902|7.543722|11.503971|13.853722|36.858105| |1.464721|1.542571|3.094685|1.853130|3.104289|2.162150|2.339199|2.801699|3.120610|2.738486|2.300324|5.471838|5.017355|7.804289|7.942971|13.568421|36.858105| |1.451642|1.521727|3.052030|1.817642|3.034692|2.119076|2.272099|2.712276|3.061866|2.719292|2.274855|5.408388|4.514950|6.706056|6.973273|7.911250|13.502043|36.858105| |1.569737|1.650006|3.344737|1.997530|3.305906|2.366255|2.538182|3.088165|3.592881|3.153574|2.572780|6.658073|5.153223|7.141448|8.006498|6.826518|7.812911|13.816555|36.858105| |1.752513|1.862886|3.845426|2.328239|3.814491|2.846038|3.105882|3.970571|4.842149|4.009380|3.122389|10.298371|7.907097|9.579167|13.780823|7.867632|6.773507|7.964030|13.745025|36.858105| |2.018748|2.163718|4.574800|2.790933|4.477696|3.544826|3.843726|5.076230|6.804744|5.470521|4.005357|15.066703|7.266626|8.985745|7.288744|4.825143|4.157728|4.615525|6.574982|10.631892|332.344906| |2.097819|2.180849|4.588296|2.673084|4.210394|3.285883|3.269767|3.878161|5.109378|5.171261|3.938424|8.315596|4.587747|6.491871|4.594688|3.550438|3.279885|3.718143|4.954189|5.954313|61.113575|388.023441| |1.937570|2.109286|4.396446|2.740551|4.523216|3.399005|3.857254|5.001938|5.597231|4.416285|3.569967|9.594266|5.326268|7.367496|5.268846|3.917523|3.511870|3.883941|5.160569|6.755383|70.726446|44.166243|53.358707| |1.692780|1.824277|3.707063|2.279453|3.836486|2.706314|3.025329|3.696364|3.945977|3.306054|2.800619|6.543928|4.187134|6.058518|4.579156|3.681736|3.528523|4.088006|5.393777|5.997876|43.745126|34.565755|17.674107|36.858105| |1.623772|1.767487|3.544554|2.204866|3.798477|2.558986|2.918995|3.458878|3.429144|2.881640|2.547636|5.281734|3.512221|5.378841|3.672097|3.123102|2.990205|3.297114|3.945161|4.280819|29.669325|25.545978|10.558340|12.484493|36.858105| |1.721938|1.887452|3.773604|2.357758|4.090686|2.700121|3.061599|3.484341|3.361153|2.896770|2.641920|4.822394|3.093355|4.853639|3.065165|2.617231|2.476117|2.680577|3.159558|3.474336|25.991611|24.298312|8.924708|7.562581|12.473099|36.858105| |1.997650|2.225835|4.552213|2.906301|4.988971|3.427455|3.972393|4.563018|4.285608|3.617975|3.305175|5.808138|3.507158|5.488875|3.270601|2.709421|2.478483|2.631022|3.130313|3.636579|29.911597|27.534329|10.547475|6.553904|7.586770|12.396722|36.858105| |2.110094|2.317477|4.851317|3.041153|5.012288|3.745513|4.182393|5.068125|5.364227|4.517096|3.860046|7.576988|4.171813|6.202043|3.876024|3.062744|2.775419|3.005099|3.752369|4.552180|44.458922|39.834241|17.634364|7.839256|6.570236|7.569265|12.497228|36.858105| |1.619156|1.783577|3.500716|2.194314|3.901560|2.437919|2.774475|3.039795|2.829229|2.473112|2.325556|3.949671|2.631946|4.277497|2.589241|2.288307|2.175614|2.304000|2.607142|2.814043|19.931059|19.180423|6.040305|4.924925|7.570094|12.580819|7.567521|4.931402|36.858105| |1.513359|1.665782|3.248828|2.036956|3.650042|2.250194|2.578112|2.831645|2.616619|2.274715|2.138188|3.695182|2.544028|4.187988|2.531530|2.284212|2.184235|2.287585|2.531409|2.699340|18.250415|17.327313|5.314586|4.420799|6.800268|7.925083|5.543163|4.027671|16.015998|73.516695| |1.652186|1.821331|3.536200|2.205130|3.953230|2.394991|2.672734|2.819663|2.616601|2.352079|2.266833|3.542672|2.341103|3.851322|2.270546|2.017678|1.918253|2.023295|2.275528|2.450147|17.613715|17.783500|5.072996|3.914706|5.169903|8.108320|6.516923|4.399405|14.385204|15.298058|73.516695| |1.545374|1.703275|3.250713|2.019920|3.682124|2.142615|2.377267|2.453643|2.256791|2.051399|2.007856|3.033354|2.049971|3.436666|1.988152|1.802230|1.720858|1.794054|1.975247|2.104446|14.693736|15.009464|4.020172|3.086316|3.914839|5.167104|4.495813|3.341942|8.097316|12.765928|23.763737|36.858105| |1.570408|1.724883|3.248775|1.996928|3.656132|2.073002|2.246508|2.259616|2.092369|1.948032|1.941461|2.765385|1.857444|3.131052|1.788935|1.624778|1.552164|1.617122|1.777446|1.890636|13.322010|14.073017|3.530523|2.643063|3.147467|4.059041|3.823792|2.995917|5.270219|8.201839|14.291254|12.583977|36.858105| |1.346263|1.412057|2.798872|1.667231|2.816589|1.908918|2.051969|2.392803|2.597985|2.328339|2.009449|4.312615|3.852578|6.424606|5.201407|7.870496|13.868786|7.854902|5.161285|4.551222|19.999955|18.961258|3.841262|2.871231|2.540858|2.144882|2.128630|2.323529|1.933086|3.488957|3.058184|1.567657|1.420263|53.358707| |1.343075|1.410839|2.786415|1.661164|2.817934|1.889411|2.031675|2.342571|2.504443|2.255422|1.972474|4.034637|3.680629|6.547509|4.542664|6.757151|7.815572|5.092769|3.909100|3.759271|17.696900|16.944226|3.423966|2.495629|2.265171|1.955619|1.968778|2.122609|1.790284|3.242962|2.857706|1.479757|1.347102|17.896463|36.858105| |1.242310|1.293064|2.541126|1.500330|2.540030|1.696116|1.801269|2.062825|2.233037|2.044394|1.787847|3.621373|3.065391|5.096157|3.940488|5.102279|7.804692|6.728003|4.526871|3.766157|17.397550|17.312627|3.403487|2.606793|2.321898|1.976216|1.932261|2.098548|1.791953|3.233603|2.854656|1.470796|1.339271|17.907391|7.664312|36.858105| |17.572669|8.850289|12.882629|4.900328|7.466284|3.977642|3.114957|2.671412|2.696916|3.193717|4.054266|3.102959|2.039957|3.631081|1.797220|1.620836|1.476912|1.476595|1.607991|1.791761|13.058359|15.791026|2.728265|1.748581|1.667923|1.779297|2.069508|2.207314|1.660987|2.739530|3.025948|1.582014|1.615331|1.840048|1.338613|1.251914|0.500000| |17.573318|8.851177|12.883547|4.902299|7.468243|3.979269|3.120252|2.674205|2.696959|3.191071|4.047668|3.102214|2.087005|3.797570|1.821467|1.659341|1.500637|1.479609|1.593173|1.779843|12.695583|15.040215|2.607143|1.672010|1.591137|1.666826|1.923261|2.052938|1.559954|2.604471|2.803226|1.472097|1.483225|1.880424|1.384651|1.272673|0.300826|0.500000| |17.555533|8.897465|10.215084|4.276088|7.117596|3.363023|2.762562|2.361776|2.324235|2.645090|3.252341|2.713407|1.829495|3.310474|1.619238|1.482589|1.353760|1.341444|1.441801|1.595180|11.341130|13.361801|2.391200|1.554587|1.502527|1.594129|1.827252|1.906536|1.513945|2.526425|2.758621|1.465430|1.498127|1.704975|1.252031|1.161357|0.300712|0.300717|0.500000| |8.810512|17.619541|16.530281|7.268276|12.944971|4.755861|3.806227|3.031341|2.839409|3.168005|4.094923|3.192794|2.108128|3.804771|1.830382|1.648633|1.489289|1.477276|1.605636|1.805140|13.158854|15.055996|2.853633|1.823994|1.787031|1.935619|2.287686|2.340411|1.845329|3.049842|3.393100|1.793618|1.837886|1.856046|1.356317|1.252938|0.211104|0.172970|0.211554|0.500000| |8.810633|17.620909|16.531933|7.274319|12.953592|4.758632|3.815810|3.035409|2.839500|3.165513|4.088268|3.192033|2.159907|3.996532|1.855895|1.688992|1.513506|1.480296|1.590983|1.793046|12.790021|14.404712|2.716612|1.738030|1.694011|1.793944|2.095496|2.159604|1.710282|2.867581|3.088962|1.638677|1.650756|1.897293|1.404008|1.273644|0.172963|0.211135|0.211549|0.302489|0.500000| |3.047440|3.871852|8.592719|7.208136|13.546651|8.939822|17.756285|8.918147|5.647957|4.951477|5.652904|5.674739|3.704433|6.911807|2.926730|2.529714|2.163184|2.093316|2.305067|2.758209|20.538451|19.966629|4.665452|2.795151|2.794010|2.965395|3.777881|3.726661|2.786045|4.654659|4.819001|2.458903|2.326708|2.619947|1.918232|1.697970|0.081580|0.081794|0.074979|0.106366|0.106836|0.500000| |2.360791|2.741517|5.934266|4.134177|6.974527|5.638176|8.915840|17.746072|8.926204|5.644939|4.952600|9.808408|6.313838|11.206424|4.519791|3.639835|2.956114|2.832315|3.194955|4.104734|30.904606|25.387891|7.136407|3.969575|3.843677|3.771617|4.839167|5.035192|3.330793|5.624371|5.339932|2.615491|2.351321|3.433120|2.469127|2.153810|0.065037|0.065139|0.058725|0.074351|0.074501|0.213965|0.500000| |2.922111|3.086191|7.082981|4.089070|5.923648|5.637929|4.952229|5.644624|8.944124|17.766502|8.898671|9.793923|5.273716|8.356282|4.168410|3.323351|2.826592|2.844770|3.325301|4.179016|35.295862|43.302004|5.737130|3.232104|2.745246|2.720018|3.284948|4.184345|2.308626|3.782646|3.900553|1.916389|1.825499|3.255570|2.295698|2.115789|0.084579|0.084449|0.069587|0.079149|0.079045|0.107564|0.124385|0.500000| |4.682931|5.072380|13.964984|6.955037|8.625231|8.919260|5.643827|4.954221|5.659833|8.936900|17.768230|5.679418|3.458406|6.055506|2.826997|2.417523|2.112274|2.100078|2.355043|2.783569|21.720758|25.955258|4.205951|2.500972|2.277929|2.368757|2.889655|3.344504|2.103701|3.443836|3.685847|1.853268|1.814915|2.539795|1.834139|1.680075|0.136265|0.135660|0.102710|0.121822|0.121396|0.124357|0.107585|0.214738|0.500000| |1.618179|1.725873|3.496597|2.124164|3.556472|2.513607|2.772415|3.379562|3.708229|3.156047|2.642324|6.402677|6.998558|12.645458|9.045668|17.801838|8.766603|5.603917|4.936317|5.652925|25.315307|22.040287|4.634020|3.164578|2.791639|2.395677|2.503655|2.769807|2.138833|3.820859|3.382513|1.719593|1.556510|9.595745|7.586302|4.614280|0.044744|0.046390|0.041332|0.045809|0.047570|0.070947|0.100143|0.087892|0.066198|0.500000| |1.352070|1.409187|2.800139|1.656289|2.777918|1.903083|2.022522|2.364042|2.630488|2.385610|2.034914|4.459593|3.602398|5.540102|5.010026|5.626888|8.832684|17.789021|9.043504|5.685944|23.826274|23.366306|4.560231|3.636894|3.013313|2.476762|2.387921|2.683825|2.157040|3.823274|3.389867|1.703814|1.541592|9.712387|4.642577|7.657631|0.038260|0.038232|0.034881|0.038111|0.038084|0.052215|0.068268|0.069439|0.052776|0.122953|0.500000| |1.531168|1.600318|3.226616|1.912707|3.167487|2.242295|2.376115|2.833249|3.271838|2.949426|2.442497|5.779092|4.185298|5.980876|5.664146|4.929018|5.598091|8.973667|17.724033|8.876597|37.859664|36.762458|6.890941|5.647609|4.016566|3.240972|3.138918|3.790727|2.642329|4.509307|4.121380|2.000319|1.807274|5.702969|3.272890|3.958826|0.043859|0.042980|0.039157|0.043484|0.042632|0.060183|0.080549|0.086996|0.062803|0.107265|0.219695|0.500000| |1.604956|1.721291|3.484124|2.132492|3.592907|2.523573|2.816320|3.458782|3.731791|3.121239|2.624963|6.473222|4.448964|6.361924|5.322169|4.329235|4.272461|5.150004|7.016705|7.304910|42.269618|32.397646|12.410627|17.661434|8.927597|5.532504|4.915400|5.670181|4.104251|6.963274|5.885493|2.725864|2.346291|4.595384|2.844567|3.038439|0.045799|0.044364|0.041041|0.047470|0.045886|0.072440|0.104263|0.085875|0.065419|0.099906|0.124530|0.198379|0.500000| |1.651292|1.759839|3.551949|2.149384|3.604414|2.514477|2.728673|3.224210|3.497054|3.076291|2.638049|5.618358|3.577443|5.266888|3.918794|3.242429|3.201237|3.806957|5.016534|5.173735|38.190328|35.935203|12.286666|17.467830|8.820378|6.781562|5.740093|7.052394|4.521182|7.061855|6.704739|2.976469|2.606048|3.608125|2.297075|2.473376|0.047751|0.045232|0.042223|0.049002|0.046305|0.070046|0.093058|0.085431|0.066698|0.077865|0.097383|0.159056|0.301796|0.500000| |1.627379|1.786196|3.585578|2.258368|3.924304|2.630901|3.083383|3.712783|3.556167|2.906831|2.574441|5.482872|3.778138|5.869567|3.895938|3.340264|3.128552|3.327337|3.860450|4.300892|28.492119|23.563676|9.498359|8.888999|17.582924|8.868031|6.802762|5.732675|6.986636|12.660754|8.494973|3.805649|3.023969|3.627923|2.404699|2.389101|0.046040|0.044404|0.041842|0.050022|0.047954|0.083002|0.119982|0.075745|0.063303|0.083951|0.083289|0.104283|0.218264|0.173727|0.500000| |1.489542|1.608173|3.186377|1.959937|3.393051|2.233723|2.504730|2.897768|2.890628|2.494309|2.231082|4.433179|3.041323|4.735175|3.267214|2.887640|2.860121|3.194824|3.713456|3.790287|24.659639|22.509687|7.653656|8.888799|17.559652|8.820468|5.508805|4.920021|6.859740|11.982132|8.553262|3.806364|3.047866|3.372788|2.192255|2.312137|0.042488|0.040591|0.038533|0.045197|0.042945|0.067195|0.088374|0.066925|0.056244|0.071831|0.083428|0.107497|0.214776|0.215348|0.303279|0.500000| |1.680475|1.820253|3.615494|2.219574|3.826600|2.511235|2.758997|3.076988|3.056048|2.726592|2.499879|4.376358|2.797294|4.387306|2.809974|2.419695|2.328854|2.563347|3.032936|3.244122|24.345185|24.464099|7.816323|6.816714|8.854268|17.506741|8.913309|6.869340|9.073394|10.971138|13.387127|4.888412|4.064418|2.760805|1.840068|1.897594|0.048625|0.045112|0.043320|0.051970|0.047764|0.073705|0.089615|0.072471|0.063319|0.061320|0.066773|0.088988|0.140118|0.200034|0.173915|0.214598|0.500000| |2.036092|2.305541|4.737061|3.107948|5.417349|3.706784|4.569212|5.364839|4.638543|3.739693|3.440503|6.135098|3.779456|6.033383|3.409525|2.829322|2.534239|2.621464|3.059642|3.625838|28.782359|25.231301|9.515269|5.732770|6.800788|8.816230|17.538630|8.894440|6.960656|10.029441|10.382372|4.359045|3.645609|2.970461|2.044544|1.954077|0.057853|0.054563|0.051695|0.065634|0.060966|0.123637|0.169020|0.091655|0.081877|0.073683|0.065487|0.082814|0.128681|0.132394|0.199285|0.139142|0.174225|0.500000| |2.080930|2.326733|4.715091|2.998115|5.189865|3.429346|3.856430|4.137519|3.850215|3.419065|3.259722|4.981196|3.034806|4.862831|2.808974|2.373163|2.185675|2.308714|2.701002|3.077860|24.902004|24.939006|7.650323|4.913869|5.514933|8.794138|17.581220|8.898845|6.864164|8.818294|12.749199|4.878537|4.386892|2.593943|1.778974|1.746670|0.060292|0.054958|0.053001|0.067516|0.060296|0.103629|0.117178|0.086168|0.080417|0.061656|0.058917|0.075825|0.108159|0.128900|0.139290|0.123375|0.217091|0.301810|0.500000| |2.047434|2.208248|4.562030|2.779034|4.567034|3.317394|3.523569|4.054813|4.411994|4.019566|3.503697|6.255328|3.567875|5.363760|3.438786|2.784650|2.593976|2.869147|3.591581|4.136389|38.683734|42.181070|12.302812|7.075841|5.774400|6.808949|8.828081|17.510235|4.535308|6.537191|7.506073|3.215760|2.958184|2.982893|1.988836|2.016738|0.060205|0.055218|0.051592|0.062165|0.056746|0.088082|0.109582|0.108152|0.087476|0.069730|0.072558|0.105043|0.144100|0.211293|0.132812|0.129466|0.202520|0.173775|0.215355|0.500000| |2.391331|2.656785|5.727088|3.638719|5.837726|4.697513|5.192921|6.308049|6.840737|5.797116|4.903465|8.537828|4.411325|6.644039|3.842218|3.018103|2.675382|2.829763|3.470910|4.312738|43.494913|41.139932|12.372925|5.667089|4.910468|5.520018|8.896666|17.646622|4.097554|6.146239|6.802017|3.034170|2.798260|3.063188|2.089343|2.018945|0.069708|0.064506|0.059186|0.074177|0.068028|0.122396|0.159875|0.142061|0.114032|0.077094|0.069880|0.095322|0.126949|0.143986|0.128110|0.108074|0.141005|0.216776|0.214520|0.303529|0.500000| |1.564450|1.739984|3.318164|2.085154|3.847828|2.205545|2.486565|2.553387|2.299798|2.070481|2.036080|3.069327|2.094504|3.549869|2.011711|1.830438|1.733584|1.785098|1.950582|2.095424|14.511853|14.572900|3.939726|2.971795|3.766483|4.743606|4.336755|3.221739|7.265139|12.914195|16.522249|17.618345|8.811436|2.155793|1.506785|1.475951|0.044152|0.041423|0.041231|0.050882|0.046845|0.072708|0.076695|0.053251|0.051887|0.048900|0.046867|0.054202|0.073936|0.077760|0.106581|0.100073|0.118181|0.124405|0.127535|0.083778|0.082688|0.500000| |1.425924|1.558031|2.964266|1.826257|3.313258|1.939272|2.138833|2.228147|2.077278|1.891716|1.837489|2.837061|1.941348|3.251667|1.913158|1.752589|1.693171|1.772514|1.936765|2.031167|13.882221|14.216968|3.759900|2.978673|3.802679|4.729745|3.896454|3.024516|7.248881|12.898004|16.526424|17.617139|8.811116|2.112364|1.459615|1.466872|0.040520|0.037924|0.037663|0.045297|0.041770|0.061043|0.066112|0.049563|0.047344|0.046358|0.047142|0.054750|0.074219|0.080537|0.102077|0.107701|0.127518|0.104342|0.112623|0.081842|0.075656|0.302535|0.500000| |1.533524|1.666389|3.137897|1.905650|3.449036|1.982913|2.118942|2.142646|2.021037|1.899967|1.885136|2.690343|1.799612|3.013148|1.748311|1.587300|1.527499|1.605696|1.771354|1.867857|13.190510|14.204230|3.479741|2.635623|3.087989|3.983283|3.674774|2.963737|4.894774|7.457214|12.880794|8.850902|17.573281|1.901313|1.317920|1.325601|0.044110|0.040269|0.040647|0.049215|0.044064|0.060102|0.061334|0.049945|0.049304|0.042023|0.042736|0.050535|0.064750|0.073830|0.080306|0.084230|0.116909|0.093971|0.117387|0.083649|0.076241|0.172975|0.211087|0.500000| |1.710984|1.896356|3.569838|2.207563|4.069170|2.272054|2.457488|2.428568|2.225191|2.082203|2.102633|2.886807|1.920129|3.246963|1.822852|1.644670|1.557051|1.614982|1.781823|1.917573|13.728540|14.559346|3.621145|2.630519|3.068070|3.990902|4.038488|3.149094|4.899142|7.460058|12.875443|8.850978|17.573600|1.932883|1.352471|1.332268|0.048944|0.044560|0.045269|0.056682|0.050190|0.071206|0.069545|0.053743|0.054527|0.043898|0.042527|0.050096|0.064555|0.071653|0.082449|0.080402|0.109531|0.107902|0.134654|0.085715|0.083483|0.211137|0.172971|0.300893|0.500000| |1.482892|1.625085|3.028429|1.854024|3.420823|1.902868|2.054487|2.052323|1.898235|1.775064|1.778031|2.509294|1.706228|2.901562|1.646226|1.510806|1.447387|1.499317|1.630421|1.724509|11.962532|12.668142|3.105927|2.328090|2.739062|3.362404|3.181680|2.574597|4.271644|7.105485|10.211489|8.896367|17.556088|1.817761|1.273397|1.263150|0.042169|0.038928|0.039558|0.048121|0.043484|0.059537|0.059377|0.046311|0.046408|0.040433|0.039860|0.045903|0.058431|0.063626|0.074262|0.074621|0.092790|0.086223|0.098487|0.070412|0.067588|0.211558|0.211585|0.300691|0.300727|0.500000| |1.394866|1.459082|2.888963|1.712466|2.886028|1.951042|2.075322|2.383155|2.583141|2.359131|2.057504|4.135205|3.799693|6.885338|4.547160|6.586672|6.831842|4.669206|3.742565|3.698550|17.745639|17.305980|3.346434|2.385894|2.147255|1.881786|1.922366|2.094255|1.716205|3.080702|2.762612|1.429175|1.310607|12.233747|17.507996|6.160808|0.038562|0.040195|0.036040|0.038723|0.040367|0.054038|0.068693|0.067321|0.053381|0.217023|0.116853|0.087398|0.074378|0.061392|0.062875|0.057217|0.049365|0.055390|0.048534|0.054612|0.058001|0.040392|0.038965|0.035647|0.036733|0.034398|0.500000| |1.251199|1.309646|2.564390|1.522061|2.595661|1.709739|1.828195|2.074518|2.193983|2.000645|1.775748|3.456189|3.047539|5.448999|3.627763|4.911683|5.733005|4.239614|3.323151|3.143498|15.348473|15.058787|3.029092|2.234529|2.058838|1.792145|1.789716|1.908810|1.659175|3.019066|2.662414|1.389789|1.268974|12.527062|17.644642|7.525281|0.034617|0.035801|0.032561|0.035049|0.036274|0.048342|0.060583|0.056523|0.046219|0.148175|0.113870|0.080016|0.070102|0.057758|0.060436|0.055993|0.047101|0.051453|0.045267|0.050070|0.052082|0.039292|0.038258|0.034526|0.035284|0.033475|0.301186|0.500000| |1.373642|1.455051|2.877440|1.732300|2.955701|1.974642|2.155424|2.499674|2.621696|2.318508|2.034456|4.203391|3.923364|7.191044|4.701126|6.967257|6.942108|4.632220|3.740069|3.753202|17.941843|16.732431|3.538973|2.564548|2.366070|2.037179|2.056997|2.191388|1.877816|3.427047|2.982258|1.547622|1.401026|12.369604|17.586146|5.757424|0.037884|0.039253|0.035561|0.038899|0.040379|0.056895|0.074428|0.064484|0.052083|0.241667|0.114396|0.086787|0.080973|0.064539|0.071065|0.063209|0.052640|0.060129|0.051419|0.056332|0.059991|0.044086|0.042321|0.037853|0.039106|0.036813|0.300411|0.303473|0.500000| |1.211990|1.263788|2.479046|1.467031|2.492176|1.655308|1.765121|2.021293|2.172250|1.979212|1.735992|3.520069|2.918278|4.790608|3.747025|4.604821|6.871052|6.872167|4.657748|3.737646|17.362161|17.207109|3.488257|2.752235|2.463781|2.068754|1.986719|2.142036|1.877215|3.404806|2.971133|1.529311|1.385082|12.354068|5.775807|17.573599|0.034009|0.034321|0.031517|0.034188|0.034503|0.046399|0.058982|0.056625|0.045251|0.113129|0.242558|0.116528|0.090369|0.072840|0.070079|0.069278|0.055326|0.055501|0.049716|0.057422|0.056487|0.042488|0.042631|0.038164|0.038060|0.036264|0.130891|0.158273|0.135042|0.500000| |1.181014|1.227767|2.397686|1.413227|2.404060|1.583121|1.678053|1.899348|2.031037|1.871522|1.657756|3.223832|2.719666|4.637737|3.343394|4.248844|5.729427|4.895086|3.615239|3.146490|15.181180|15.288460|3.013629|2.296233|2.089256|1.801954|1.763785|1.892205|1.656608|3.004690|2.655312|1.380770|1.261342|12.532335|7.552722|17.647348|0.032953|0.033640|0.030783|0.033041|0.033730|0.044250|0.055086|0.053527|0.043450|0.113292|0.149073|0.089854|0.073005|0.060630|0.059994|0.057965|0.048061|0.049761|0.044625|0.050519|0.050840|0.038609|0.038318|0.034623|0.034837|0.033215|0.167004|0.251908|0.157033|0.303528|0.500000| 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