Version2.4 2021-06-09T04:32:08Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 14-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)[C@@H](c2ccccn2)NC(=O)c3ccc(cc3)n4c(cc(n4)c5ccc(c(c5)Cl)Cl)N C44960238 RHF 6-31G(d) (6D,7F) c1ccc(cc1)[C@@H](c2ccccn2)NC(=O)c3ccc(cc3)n4c(cc(n4)c5ccc(c(c5)Cl)Cl)N C01[X(C28H21Cl2N5O1)] 165 C1 590 O=C(c1ccc(cc1)n1nc(cc1N)c1ccc(c(c1)Cl)Cl)N[C@H](c1ccccn1)c1ccccc1 O=C(c1ccc(cc1)n1nc(cc1N)c1ccc(c(c1)Cl)Cl)N[C@H](c1ccccn1)c1ccccc1 Nc1cc(nn1c2ccc(cc2)C(=O)N[C@@H](c3ccccc3)c4ccccn4)c5ccc(Cl)c(Cl)c5 InChIKey=PYHAYEASXXFYIL-MHZLTWQESA-N InChI=1S/C28H21Cl2N5O/c29-22-14-11-20(16-23(22)30)25-17-26(31)35(34-25)21-12-9-19(10-13-21)28(36)33-27(18-6-2-1-3-7-18)24-8-4-5-15-32-24/h1-17,27H,31H2,(H,33,36)/t27-/m0/s1 InChI=1/C28H21Cl2N5O/c29-22-14-11-20(16-23(22)30)25-17-26(31)35(34-25)21-12-9-19(10-13-21)28(36)33-27(18-6-2-1-3-7-18)24-8-4-5-15-32-24/h1-17,27H,31H2,(H,33,36)/t27-/m0/s1/f/h33H c1ccc(cc1)[C@@H](c2ccccn2)NC(=O)c3ccc(cc3)n4c(cc(n4)c5ccc(c(c5)Cl)Cl)N C01[X(C28H21Cl2N5O1)] 165 C01 590 O=C(c1ccc(cc1)n1nc(cc1N)c1ccc(c(c1)Cl)Cl)N[C@H](c1ccccn1)c1ccccc1 N[C]1[CH][C]([N][N@@]1[C]1[CH][CH][C]([CH][CH]1)C(=O)N[C@H]([C]1[CH][CH][CH][CH][N]1)[C]1[CH][CH][CH][CH][CH]1)[C]1[CH][CH][C]([C]([CH]1)Cl)Cl N[C]1[CH][C]([N]N1[C]2[CH][CH][C]([CH][CH]2)C(=O)N[C@@H]([C]3[CH][CH][CH][CH][CH]3)[C]4[CH][CH][CH][CH][N]4)[C]5[CH][CH][C](Cl)[C](Cl)[CH]5 InChIKey=PYHAYEASXXFYIL-MHZLTWQESA-N InChI=1S/C28H21Cl2N5O/c29-22-14-11-20(16-23(22)30)25-17-26(31)35(34-25)21-12-9-19(10-13-21)28(36)33-27(18-6-2-1-3-7-18)24-8-4-5-15-32-24/h1-17,27H,31H2,(H,33,36)/t27-/m0/s1 InChI=1/C28H21Cl2N5O/c29-22-14-11-20(16-23(22)30)25-17-26(31)35(34-25)21-12-9-19(10-13-21)28(36)33-27(18-6-2-1-3-7-18)24-8-4-5-15-32-24/h1-17,27H,31H2,(H,33,36)/t27-/m0/s1/f/h33H 3580.6565276881 -2338.6210059 1-A 39393.0617 133 457 590 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7.2280 6.0475 6.5529 1.3738 1.3735 1.4169 1.3553 3.8517 1.3711 1.3381 2.3118 4.9224 1.3401 3.6533 2.7172 1.9313 2.8126 2.1596 2.5964 2.7969 2.1962 1.8034 2.1934 1.9287 3.0620 2.2399 3.8770 2.1518 1.3750 1.2268 1.5842 1.4681 2.4041 1.7212 2.3330 2.7331 1.8584 1.4249 1.4980 2.9796 1.8700 1.4931 1.3337 1.2990 4.0887 3.2064 2.9038 2.1221 3.0492 2.1950 2.3371 1.9816 2.9029 2.4609 3.3693 3.6440 5.6206 7.2441 5.6153 5.4868 5.5637 5.5405 5.4224 5.2859 5.3945 1.2904 10.3158 1.0862 1.0866 1.0893 1.0885 1.0923 1.0927 1.0906 1.0958 1.0990 1.0976 1.0911 1.0906 1.0948 1.0925 1.0943 1.0956 1.0962 1.0982 1.0506 1.0972 1.0785 0.0003 0.0005 0.0010 0.0011 0.0038 0.0052 0.0061 0.0073 0.0127 0.0154 0.0187 0.0277 0.0536 0.0650 0.1174 0.0807 0.1327 0.4138 0.1704 0.1531 0.2099 0.2180 0.1626 0.0627 0.2973 0.2656 0.3570 0.3881 0.4846 0.4670 0.6711 0.6686 0.3484 0.4305 0.3878 0.9372 0.4745 0.4439 0.3377 0.6682 0.6537 0.4868 0.7838 1.3994 1.0084 1.1238 1.4409 0.9752 1.6419 1.8155 1.4099 0.9302 1.7609 2.3008 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14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 34.96885 14.00307 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 7538.5534 70300.2195 72826.1542 1.00000 0.00266 -0.00025 -0.00266 0.99998 0.00579 0.00027 -0.00579 0.99998 1 0.01149 0.00123 0.00119 0.23940 0.02567 0.02478 11.53 13.73 22.39 31.28 46.89 56.64 59.29 70.15 87.43 95.00 110.89 122.65 156.92 196.11 214.66 226.50 274.73 310.85 317.71 319.34 365.77 376.97 390.49 398.28 415.74 429.29 461.55 481.92 500.76 552.24 606.68 615.98 653.51 663.92 666.58 675.42 710.38 718.84 742.32 763.74 767.59 783.64 824.85 851.82 910.00 935.51 949.14 952.23 973.90 977.18 991.35 1037.27 1060.28 1065.44 1100.59 1121.26 1122.50 1123.80 1133.03 1162.77 1178.17 1197.70 1221.33 1230.43 1244.95 1265.08 1285.79 1306.56 1353.45 1372.23 1378.29 1379.05 1407.37 1443.01 1461.49 1461.80 1502.37 1532.15 1569.83 1572.71 1579.29 1585.55 1588.10 1597.14 1598.51 1616.62 1621.21 1628.50 1628.66 1629.58 1637.96 1651.25 1677.35 1688.51 1703.06 1709.96 1733.08 1736.35 1741.46 1757.66 1768.75 1808.05 1815.00 1832.81 1865.78 1875.28 1878.26 1881.07 1894.10 1897.81 1918.83 1962.41 1967.43 2014.10 2016.32 2051.33 2068.59 2084.99 2102.85 2160.21 2166.47 2176.87 2231.77 2260.99 2309.86 2331.98 2332.58 2380.11 2401.67 2407.26 2408.47 2442.75 2467.04 2505.04 2542.61 2561.35 2568.43 2570.99 2596.31 2603.93 2607.48 2617.37 2646.61 2805.32 4731.84 4825.49 4836.17 4836.95 4848.60 4849.75 4860.95 4862.28 4876.91 4886.16 4889.30 4903.43 4906.50 4906.70 4912.13 4918.36 4925.14 4961.08 5433.09 5579.06 5594.18 0.469328 0.497871 0.498815 0.402464 -2338.151678 -2338.123135 -2338.122191 -2338.218542 3.231628D-04 MUNgauss RevisionA2.1 retrievium 09-Jun-2021 DUDE c1ccc(cc1)[C@@H](c2ccccn2)NC(=O)c3ccc(cc3)n4c(cc(n4)c5ccc(c(c5)Cl)Cl)N C44960238 RHF 6-31G(d) (6D,10F) C1 513.112316 |X|Y|Z| 186.999327 53.708316 39.238968 73.316161 32 6 7 28 4 |36.858105| |13.767203|36.858105| |7.933944|13.737144|36.858105| |6.829001|7.902857|13.733101|36.858105| |7.934661|6.889888|7.965101|13.686684|36.858105| |13.738351|7.955933|6.889035|7.898921|13.766270|36.858105| |4.417848|5.007663|7.551960|12.509592|7.503534|4.996305|36.858105| |3.998657|4.814033|7.405783|8.945500|5.596057|4.195283|17.631946|0.500000| |3.735052|3.987020|5.273653|7.547710|6.162554|4.333560|12.497376|0.252617|36.858105| |3.207488|3.253838|3.983121|5.414516|5.206372|3.827877|7.425821|0.160780|13.741641|36.858105| |2.767051|2.775182|3.250570|4.086048|4.059556|3.230342|4.997041|0.119998|8.000414|13.757952|36.858105| |2.696764|2.745468|3.190235|3.825412|3.697353|3.049141|4.493004|0.114504|7.005791|7.985340|13.787819|36.858105| |3.014539|3.173895|3.794925|4.469237|4.055790|3.321414|5.256490|0.139606|8.383081|7.056218|8.046809|13.753793|36.858105| |3.567392|3.895748|5.019797|6.212348|5.092163|3.929005|7.966629|0.210650|14.396800|8.022522|6.908644|7.999491|14.457793|53.358707| |3.838500|4.143134|5.546556|7.854194|6.213193|4.404008|13.057103|0.255209|7.655148|6.585411|4.462084|3.768062|4.014455|7.107163|53.358707| |3.053669|3.322489|4.239103|5.191700|4.305861|3.356690|7.776842|0.204425|5.908810|5.502101|4.035326|3.443105|3.595315|6.035241|19.058668|36.858105| |2.768181|3.064130|3.907210|4.558038|3.717769|2.971611|6.903885|0.210267|5.866361|5.290663|4.078558|3.604436|3.830115|6.385114|11.553475|15.873739|73.516695| |2.695961|2.853272|3.416788|3.984345|3.580775|2.948943|5.016968|0.131836|4.146763|4.163215|3.284800|2.808775|2.842565|4.511203|10.652319|12.684019|14.353971|36.858105| |2.317492|2.476085|2.902524|3.209863|2.880893|2.464104|3.902749|0.109038|3.359085|3.339589|2.784119|2.456047|2.492766|3.864252|7.093567|7.692156|12.037273|13.688163|36.858105| |2.075001|2.180335|2.473372|2.690387|2.496408|2.197368|3.103896|0.085658|2.746094|2.780329|2.391802|2.124045|2.130517|3.228864|5.381896|5.066545|8.099369|7.906772|13.813862|36.858105| |2.084332|2.142140|2.385331|2.620586|2.513867|2.235275|2.930902|0.078433|2.612338|2.698256|2.327728|2.045550|2.027983|3.051947|5.114660|4.449820|6.799210|6.851344|7.956301|13.705119|36.858105| |2.343968|2.369351|2.642847|2.988780|2.934856|2.575008|3.317505|0.085584|2.929865|3.075213|2.593690|2.233162|2.200093|3.336471|6.053046|4.999512|7.130998|7.902103|6.877953|7.916894|13.743489|36.858105| |2.711190|2.764185|3.188894|3.757942|3.622882|3.035448|4.359816|0.109038|3.717095|3.893897|3.119895|2.631118|2.608380|4.056569|8.904499|7.487298|9.425308|13.733423|7.959201|6.879032|7.951910|13.747921|36.858105| |1.844727|1.880750|2.050046|2.213432|2.153182|1.960621|2.412428|0.064946|2.192713|2.267553|2.008120|1.788230|1.766675|2.618413|4.014331|3.345318|5.322301|4.541803|5.176234|7.880259|13.472335|7.827604|5.154553|53.358707| |1.713533|1.723724|1.857231|2.011783|1.993832|1.832337|2.168157|0.057854|2.014482|2.115774|1.905179|1.694308|1.654703|2.419698|3.537100|2.864638|4.603143|3.687816|3.957558|5.267003|7.622762|6.149101|4.286726|19.193821|36.858105| |1.558378|1.570599|1.675336|1.786389|1.767026|1.646263|1.903339|0.051323|1.773385|1.843017|1.679425|1.515093|1.486967|2.163338|3.030150|2.430276|3.984356|3.004905|3.271599|4.223369|5.330963|4.387161|3.342392|11.865097|13.955700|36.858105| |1.575888|1.606855|1.718236|1.809877|1.764478|1.645316|1.930327|0.052723|1.774568|1.814354|1.644212|1.495699|1.484539|2.175038|3.067155|2.488272|4.108780|3.084817|3.496168|4.660916|5.518930|4.240968|3.305828|12.260705|8.670106|13.439012|36.858105| |1.731853|1.781130|1.927664|2.037096|1.962447|1.809436|2.198138|0.060222|1.989762|2.021570|1.805537|1.634891|1.631571|2.416252|3.563871|2.955638|4.827257|3.818781|4.519223|6.623591|7.976403|5.349448|4.042843|19.167846|8.535789|8.486559|14.678081|53.358707| |1.448867|1.482444|1.572184|1.632528|1.586787|1.495338|1.725342|0.047567|1.590021|1.610445|1.472199|1.355799|1.353051|1.975169|2.683513|2.156099|3.619462|2.576730|2.910334|3.662188|3.987955|3.247027|2.687407|7.341428|5.224368|7.313255|12.882066|10.752725|36.858105| |1.464277|1.511586|1.601202|1.641908|1.580588|1.494836|1.728637|0.048142|1.577971|1.577136|1.437673|1.334080|1.343969|1.971690|2.668959|2.144752|3.623755|2.530814|2.888432|3.556384|3.677351|3.019340|2.577281|6.204242|4.094002|4.974671|7.636549|9.071769|13.676664|36.858105| |1.346664|1.390598|1.462177|1.486737|1.432425|1.365442|1.554387|0.043470|1.427772|1.422062|1.307110|1.223058|1.234599|1.802177|2.360233|1.877817|3.207067|2.157694|2.426251|2.864478|2.909063|2.480756|2.179359|4.671760|3.200973|3.810893|5.065977|6.128102|7.921482|13.828575|36.858105| |1.241984|1.274439|1.334322|1.360827|1.320674|1.262986|1.419582|0.039541|1.318168|1.321376|1.224604|1.147187|1.152004|1.669362|2.141619|1.692588|2.899171|1.926880|2.135541|2.490633|2.561632|2.226434|1.961557|4.126434|2.968325|3.618885|4.462267|5.132742|6.827147|7.929811|13.724702|36.858105| |1.232084|1.256407|1.316916|1.354889|1.323666|1.262743|1.417106|0.039205|1.324527|1.340054|1.245065|1.160346|1.157196|1.670742|2.148012|1.697269|2.895609|1.945782|2.143225|2.524736|2.658142|2.311406|2.007463|4.411414|3.321272|4.273676|5.055536|5.384968|7.898104|6.883900|7.962567|13.764981|36.858105| |1.321042|1.344341|1.416725|1.470303|1.438961|1.363867|1.546643|0.042562|1.442900|1.468591|1.357323|1.254695|1.246617|1.804370|2.375098|1.888642|3.194376|2.208949|2.445458|2.966148|3.212188|2.732464|2.308505|5.646142|4.368226|6.194813|7.650394|7.095943|13.752260|7.972039|6.912417|7.942809|13.742779|36.858105| |1.118741|1.135024|1.183870|1.218737|1.197929|1.147802|1.270156|0.035059|1.199842|1.219301|1.143716|1.069434|1.062090|1.521723|1.906348|1.493688|2.560279|1.686254|1.828180|2.103784|2.214111|1.978217|1.743430|3.575366|2.773100|3.450783|3.686560|4.094806|4.775815|4.231010|4.750064|6.974113|10.974574|7.093943|448.794386| |1.136531|1.166913|1.214164|1.229213|1.193157|1.148592|1.274666|0.035633|1.189212|1.187483|1.107917|1.046071|1.053028|1.519641|1.896571|1.486720|2.566639|1.658487|1.817681|2.059149|2.089378|1.859651|1.675860|3.240714|2.337646|2.730795|3.173798|3.844831|4.211291|4.783458|7.079173|10.987686|6.972678|4.746971|47.525719|448.794386| |1.745199|1.734412|1.867649|2.055557|2.071773|1.895352|2.216456|0.058205|2.094134|2.248690|2.033984|1.784838|1.718928|2.495788|3.623185|2.884555|4.595868|3.655018|3.692253|4.532132|6.357029|6.223818|4.441190|10.802515|13.765056|7.642991|5.343896|7.308529|3.821256|3.158714|2.602985|2.465873|2.742054|3.424481|19.298881|16.185287|53.358707| |17.716361|8.912197|5.641691|4.929041|5.643427|8.904011|3.536090|0.090948|3.101096|2.742461|2.430433|2.386503|2.629971|4.098210|4.320495|2.619394|4.265402|2.371403|2.075937|1.889715|1.909399|2.129485|2.406464|2.334370|1.605100|1.472428|1.487812|2.206348|1.377615|1.393803|1.289751|1.193853|1.183224|1.262735|8.661357|8.816536|2.222143|0.500000| |8.916201|17.715886|8.923038|5.635151|4.960676|5.650683|4.090866|0.114600|3.363888|2.794166|2.440081|2.447120|2.823871|4.595651|4.749161|2.934750|4.911795|2.568591|2.288465|2.036775|1.990122|2.163506|2.473080|2.405562|1.620014|1.490851|1.534991|2.306637|1.430100|1.468694|1.360695|1.246514|1.222311|1.299552|8.873011|9.219185|2.200724|0.214684|0.500000| |5.648699|8.925177|17.716296|8.925084|5.655877|4.960261|7.028274|0.229194|4.956668|3.713522|3.076016|3.070034|3.711029|6.693262|7.112558|4.289637|7.349853|3.412504|2.981810|2.514185|2.370283|2.565900|3.071304|2.772106|1.829879|1.659300|1.718487|2.635228|1.581444|1.623250|1.485925|1.350601|1.325808|1.421570|9.542002|9.886760|2.477878|0.124183|0.215795|0.500000| |5.649225|4.959973|5.653925|8.896107|17.704598|8.941714|6.953925|0.140436|6.523213|6.213542|4.711234|4.043691|4.188847|6.873070|8.610105|4.407778|6.679517|3.713984|2.936075|2.554119|2.605818|3.099780|3.867020|3.028243|2.081014|1.826481|1.801479|2.719046|1.606502|1.583924|1.430317|1.324526|1.336954|1.460933|9.740518|9.572175|2.994465|0.124236|0.107642|0.124181|0.500000| |8.907209|5.651838|4.960020|5.630938|8.930367|17.713194|4.078587|0.096347|3.747573|3.503526|3.051016|2.859596|3.014442|4.648169|5.134266|2.975843|4.699955|2.694632|2.270909|2.060966|2.127219|2.460740|2.841727|2.571505|1.789421|1.610973|1.595611|2.365875|1.450514|1.441286|1.319218|1.227350|1.232479|1.331099|9.041805|8.972019|2.543054|0.214591|0.124140|0.107642|0.216168|0.500000| |3.123137|3.119759|3.759699|5.109851|5.120443|3.778569|6.813835|0.145650|8.898973|17.770247|8.888638|5.660060|5.051490|7.770524|10.109802|6.214545|9.745826|4.887071|3.737664|3.109746|3.076811|3.623150|4.750201|3.460406|2.373609|2.032916|1.983511|3.023746|1.736974|1.687405|1.508509|1.400190|1.427282|1.577320|10.388314|10.023398|3.483891|0.074579|0.074466|0.096671|0.177447|0.097616|0.500000| |2.482636|2.453572|2.801860|3.441026|3.521705|2.895374|4.055467|0.098845|5.665276|8.907702|17.710502|8.902165|5.679461|6.764667|5.268708|3.610481|6.405243|3.094096|2.653481|2.326776|2.294164|2.558247|3.014771|2.720640|1.922677|1.691877|1.638846|2.430697|1.463381|1.417795|1.288981|1.214159|1.241720|1.356626|9.200717|8.810608|2.831996|0.061553|0.060533|0.073696|0.114696|0.077872|0.213596|0.500000| |2.394785|2.419327|2.736061|3.171049|3.116839|2.670605|3.586693|0.093509|5.023327|5.648054|8.860542|17.736673|8.894059|7.759253|4.240792|2.911979|5.427857|2.456203|2.191823|1.927982|1.863334|2.015276|2.324119|2.247094|1.577577|1.420656|1.398647|2.064027|1.274401|1.252047|1.153510|1.087364|1.101385|1.186934|8.196611|7.993401|2.264781|0.059956|0.060847|0.073595|0.093862|0.070817|0.123756|0.212190|0.500000| |2.824372|2.998537|3.489151|3.867243|3.515198|3.014222|4.305151|0.119667|5.903258|5.046028|5.681952|8.897369|17.702023|12.741842|4.584699|3.078067|5.872852|2.495722|2.238034|1.935967|1.839099|1.971513|2.295244|2.205521|1.521049|1.379479|1.382064|2.056992|1.270016|1.266447|1.170703|1.094496|1.096348|1.174510|8.103881|8.078491|2.138016|0.069594|0.075843|0.096611|0.098074|0.076437|0.109193|0.124180|0.213677|0.500000| |4.181138|4.383297|5.610891|7.770457|6.778107|4.882801|9.086153|0.190737|5.892312|5.348137|3.855032|3.291798|3.465204|5.911902|26.086885|9.421020|10.962969|7.441406|4.954370|3.949776|3.925153|4.856093|7.243053|4.196375|2.714393|2.316838|2.340712|3.705742|2.038969|2.026666|1.785138|1.616186|1.621558|1.797873|11.518387|11.453065|3.785953|0.095650|0.101314|0.140066|0.188612|0.116095|0.171352|0.095799|0.077349|0.082636|0.500000| |2.241933|2.436278|2.882041|3.125184|2.739623|2.349594|3.864251|0.113070|3.356458|3.256420|2.750976|2.476930|2.548300|3.953369|6.591328|7.227765|13.496646|8.951889|17.756723|8.933407|5.651971|4.957779|5.667986|5.702088|3.336477|2.873612|3.105914|5.296539|2.683268|2.714449|2.326330|2.049112|2.034726|2.282229|14.013316|14.187811|4.238140|0.055817|0.063163|0.084363|0.076569|0.059757|0.097772|0.072075|0.061504|0.064059|0.122650|0.500000| |1.886520|1.989447|2.234634|2.385011|2.210774|1.973571|2.719306|0.076336|2.442449|2.457424|2.159336|1.948452|1.959010|2.937444|4.506921|4.128367|6.989911|5.627569|8.909661|17.766439|8.936626|5.648544|4.959057|9.891812|4.997451|4.297648|5.032975|9.857755|4.055052|4.003262|3.186293|2.733032|2.748145|3.228541|18.095185|17.945509|5.602260|0.048134|0.052251|0.063722|0.062385|0.051577|0.074806|0.058512|0.049616|0.050006|0.091092|0.214050|0.500000| |2.285491|2.264638|2.471075|2.784922|2.821230|2.527037|2.988922|0.076371|2.684987|2.845659|2.440673|2.105422|2.059368|3.088264|5.250084|4.071617|5.953323|5.633455|4.957776|5.637900|8.914728|17.757116|8.913245|9.736978|6.540486|4.599117|4.197767|6.738408|3.209219|2.924782|2.420240|2.202929|2.315184|2.749122|16.059258|14.781063|9.901970|0.058296|0.057499|0.065792|0.083460|0.068347|0.092862|0.067638|0.053197|0.051484|0.119177|0.107659|0.124281|0.500000| |3.003071|2.983713|3.424468|4.200150|4.249402|3.486782|4.731824|0.112182|4.053674|4.344020|3.402514|2.814188|2.768170|4.318764|9.783544|6.846691|8.628409|8.880805|5.643430|4.956318|5.668909|8.984577|17.728068|5.697209|3.715861|2.970965|2.885212|4.608651|2.395597|2.297352|1.975857|1.798364|1.843091|2.098120|13.030133|12.480399|5.455159|0.073390|0.072734|0.088706|0.130837|0.091377|0.153127|0.091336|0.068523|0.066967|0.240885|0.124257|0.107649|0.216977|0.500000| |1.455977|1.459419|1.545598|1.644562|1.638423|1.537572|1.739808|0.046853|1.637342|1.707457|1.572299|1.423840|1.392260|2.010700|2.731525|2.162572|3.571700|2.603825|2.782801|3.434638|4.160164|3.639515|2.885481|8.046028|8.739412|17.817766|8.469005|7.913799|6.304135|4.358544|3.551844|3.554169|4.394154|6.331138|30.044481|21.854117|8.932619|0.038425|0.038570|0.042420|0.047124|0.042063|0.052061|0.044229|0.037306|0.036006|0.057900|0.069115|0.096972|0.108015|0.073084|0.500000| |1.574838|1.637088|1.743101|1.781771|1.700990|1.602752|1.880456|0.052604|1.695614|1.681897|1.519995|1.409562|1.428154|2.111580|2.923984|2.366551|3.981913|2.820500|3.272541|4.071254|4.111004|3.313625|2.838157|6.698364|4.114835|4.650168|7.068931|10.183968|8.919351|17.761997|8.953189|5.647614|4.961151|5.666340|27.431608|31.737437|4.327021|0.041466|0.044186|0.049297|0.047110|0.042649|0.050008|0.041388|0.036563|0.037313|0.061829|0.085259|0.128553|0.087275|0.069394|0.109490|0.500000| |1.342279|1.393405|1.461977|1.473708|1.412678|1.350999|1.535286|0.043200|1.405008|1.388712|1.276261|1.200712|1.218854|1.782532|2.313662|1.835795|3.151436|2.083241|2.339836|2.704257|2.691078|2.323055|2.079621|4.163418|2.809031|3.211017|4.118997|5.308807|5.636983|8.935127|17.750847|8.957786|5.669481|4.975104|31.482550|54.592445|3.177993|0.035770|0.038089|0.041474|0.038947|0.036145|0.040690|0.034811|0.031452|0.032211|0.048546|0.063109|0.083326|0.062530|0.052567|0.083060|0.215328|0.500000| 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