Version2.0 2020-02-07T07:43:34Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 07-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1ccccc1CCNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccc(o4)c5ccccc5 C39636410 RHF 6-31G(d) (6D,7F) COc1ccccc1CCNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccc(o4)c5ccccc5 C01[X(C29H34N3O4)] 204 C1 608 COc1ccccc1CCNC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(o1)c1ccccc1 COc1ccccc1CCNC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(o1)c1ccccc1 COc1ccccc1CCNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4oc(cc4)c5ccccc5 InChIKey=VIRHCFNFPJSQSL-HSZRJFAPSA-O InChI=1S/C29H33N3O4/c1-35-24-10-6-5-9-22(24)13-16-31-27(33)23-19-32(20-29(23)14-17-30-18-15-29)28(34)26-12-11-25(36-26)21-7-3-2-4-8-21/h2-12,23,30H,13-20H2,1H3,(H,31,33)/p+1/t23-/m1/s1 InChI=1/C29H33N3O4/c1-35-24-10-6-5-9-22(24)13-16-31-27(33)23-19-32(20-29(23)14-17-30-18-15-29)28(34)26-12-11-25(36-26)21-7-3-2-4-8-21/h2-12,23,30H,13-20H2,1H3,(H,31,33)/p+1/t23-/m1/s1/fC29H34N3O4/h30-31H/q+1 COc1ccccc1CCNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccc(o4)c5ccccc5 C01[X(C29H34N3O4)] 204 C01 608 COc1ccccc1CCNC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(o1)c1ccccc1 COc1ccccc1CCNC(=O)[C@H]1CN(CC21CC[NH2]CC2)C(=O)c1ccc(o1)c1ccccc1 COc1ccccc1CCNC(=O)[C@H]2CN(CC23CC[NH2]CC3)C(=O)c4oc(cc4)c5ccccc5 InChIKey=MEBYONKUCRFBBW-HSZRJFAPSA-N InChI=1S/C29H34N3O4/c1-35-24-10-6-5-9-22(24)13-16-31-27(33)23-19-32(20-29(23)14-17-30-18-15-29)28(34)26-12-11-25(36-26)21-7-3-2-4-8-21/h2-12,23H,13-20,30H2,1H3,(H,31,33)/t23-/m1/s1 InChI=1/C29H34N3O4/c1-35-24-10-6-5-9-22(24)13-16-31-27(33)23-19-32(20-29(23)14-17-30-18-15-29)28(34)26-12-11-25(36-26)21-7-3-2-4-8-21/h2-12,23H,13-20,30H2,1H3,(H,31,33)/t23-/m1/s1/f/h31H 3732.3340571694 -1580.593111 1-A 26343.2831 130 478 608 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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 15782.9060 33841.5362 46340.6375 0.99999 0.00482 -0.00003 -0.00482 0.99999 0.00047 0.00003 -0.00047 1.00000 1 0.00549 0.00256 0.00187 0.11435 0.05333 0.03895 9.94 20.14 22.37 35.48 42.16 50.65 71.84 79.44 91.14 99.97 111.59 127.33 144.83 161.32 184.97 188.81 224.47 263.52 271.52 291.79 309.95 355.52 374.34 388.68 411.71 426.65 442.44 455.20 472.56 484.72 510.26 525.22 532.68 563.63 583.07 636.08 648.40 655.51 679.09 688.96 715.82 745.40 753.93 770.20 773.03 813.83 833.09 867.76 888.54 942.69 957.39 974.29 983.51 1007.09 1075.46 1091.92 1095.24 1109.62 1162.31 1169.15 1193.14 1203.76 1213.93 1225.88 1230.18 1234.57 1242.54 1260.67 1271.89 1319.38 1330.98 1344.44 1364.24 1376.58 1390.73 1403.06 1430.09 1451.30 1463.83 1487.08 1509.05 1513.25 1513.34 1535.29 1548.81 1561.16 1567.55 1590.29 1594.67 1601.52 1607.00 1609.89 1625.71 1629.70 1632.56 1635.63 1638.52 1648.65 1666.41 1677.19 1689.74 1702.46 1712.17 1749.95 1757.41 1759.19 1775.13 1807.82 1845.17 1860.28 1867.35 1878.27 1879.27 1894.19 1899.62 1908.36 1920.44 1925.86 1929.81 1948.66 1961.71 1965.36 1994.95 1997.70 2005.90 2047.38 2062.89 2067.72 2082.27 2085.34 2095.90 2103.27 2116.52 2119.71 2158.74 2167.91 2193.59 2206.18 2218.56 2230.89 2236.43 2248.12 2249.96 2261.71 2276.89 2326.52 2326.97 2346.14 2347.27 2355.69 2362.36 2366.27 2367.88 2374.89 2375.70 2381.13 2389.65 2396.56 2405.47 2414.19 2455.03 2475.40 2557.86 2575.39 2589.05 2604.65 2611.98 2629.12 2703.85 2760.44 4597.34 4608.77 4626.85 4642.51 4657.36 4699.21 4708.41 4712.90 4717.11 4720.87 4723.71 4730.56 4762.48 4785.78 4788.93 4792.95 4804.87 4809.07 4825.65 4827.36 4843.39 4849.91 4850.12 4854.84 4870.00 4878.08 4884.30 4893.73 4905.58 4969.82 4990.26 5280.11 5371.84 5597.46 0.642326 0.672630 0.673574 0.574612 -1579.950785 -1579.920481 -1579.919536 -1580.018499 3.319235D-04 MUNgauss RevisionA2.0 retrievium 07-Feb-2020 DUDE COc1ccccc1CCNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccc(o4)c5ccccc5 C39636410 RHF 6-31G(d) (6D,10F) C1 488.254932 |X|Y|Z| 131.721883 88.752288 33.398864 73.089736 32 6 7 8 28 3 1 |36.858105| |13.587853|73.516695| |7.987318|24.999843|36.858105| |6.748275|14.016108|13.759156|36.858105| |4.523511|9.238711|7.937075|13.709616|36.858105| |3.793004|8.196775|6.855153|7.924118|13.818824|36.858105| |3.990932|9.415300|7.969834|6.902919|7.986979|13.716474|36.858105| |5.241723|14.517058|13.602821|7.878656|6.837469|7.867064|13.771462|36.858105| |4.586536|12.283048|7.531137|5.007867|4.432097|5.000413|7.551546|12.598408|36.858105| |4.229341|10.496022|5.831600|4.225226|3.754819|4.097280|5.526361|7.540365|12.435616|36.858105| |3.490228|7.926657|4.171863|3.241158|2.935232|3.167972|4.027412|4.978908|7.654552|13.052851|53.358707| |2.826832|6.165271|3.394293|2.768703|2.607585|2.880027|3.610324|4.102118|5.804339|7.743252|19.362601|36.858105| |2.625774|5.715080|3.303318|2.752854|2.677777|3.054345|3.869438|4.133197|5.552734|6.790332|11.566253|15.783133|73.516695| |2.451737|5.110319|2.746773|2.308446|2.173186|2.348336|2.817391|3.145882|4.124477|4.991004|10.678104|12.482295|14.211545|36.858105| |2.573142|5.311866|2.767435|2.310890|2.137998|2.269319|2.700092|3.087611|4.051163|4.818840|10.384391|8.881031|10.482016|17.565793|0.500000| |2.202982|4.475947|2.421582|2.088573|1.983042|2.125768|2.481681|2.707632|3.330564|4.126573|7.727015|7.564127|10.958282|12.152423|0.241884|36.858105| |1.911898|3.840457|2.113224|1.857777|1.793614|1.935630|2.230797|2.365850|2.832399|3.300574|5.700729|5.527683|9.261847|7.917240|0.167381|13.032733|53.358707| |1.917636|3.895572|2.173541|1.905322|1.856581|2.033793|2.371099|2.484835|3.012344|3.365456|5.754274|5.907662|10.689564|7.980332|0.161072|8.085266|17.935949|36.858105| |2.131625|4.379121|2.401334|2.062279|1.978036|2.156445|2.555438|2.756828|3.489210|3.829400|7.007328|7.359365|11.540187|12.221155|0.242479|7.706998|11.054956|12.377415|36.858105| |2.171913|4.514622|2.523449|2.162955|2.096183|2.322465|2.789397|2.967041|3.788801|3.827830|6.540707|6.465363|11.380519|7.264137|0.168994|4.963839|6.937732|7.426725|12.388885|36.858105| |1.874778|3.807770|2.142228|1.883765|1.847804|2.037669|2.378165|2.466380|2.979639|2.946516|4.724006|4.289145|7.828134|4.808494|0.119500|3.842757|5.808731|6.088379|7.504488|12.494472|36.858105| |1.766515|3.524017|1.945946|1.720653|1.670421|1.807271|2.074980|2.181153|2.601385|2.598106|4.191538|3.633577|6.262934|4.337882|0.115489|3.584903|5.431172|5.161404|6.456552|7.642402|12.631147|53.358707| |1.624718|3.211776|1.783143|1.595271|1.558661|1.683670|1.909955|1.984806|2.317222|2.299767|3.617047|3.076743|5.404826|3.557938|0.094917|3.081138|4.720907|4.347049|4.926725|5.658442|9.166389|25.690042|0.500000| |1.840313|3.666044|2.006888|1.766640|1.702543|1.831119|2.104302|2.236511|2.680020|2.630559|4.236169|3.555419|5.986123|4.172993|0.116296|3.356901|4.834785|4.363501|5.732948|6.973585|9.209732|25.685552|0.328502|0.500000| |1.740401|3.448139|1.882047|1.663576|1.603642|1.719500|1.965186|2.085283|2.487061|2.583055|4.276474|3.735622|6.226465|4.885248|0.131394|4.243428|6.736616|6.088032|7.438009|6.457230|7.549594|17.177832|0.254453|0.255591|36.858105| |1.972463|3.953079|2.129229|1.849828|1.761480|1.884957|2.184828|2.368629|2.911728|3.125422|5.501814|4.949831|7.667283|7.578942|0.209353|5.941120|8.727623|7.482931|12.323776|7.645203|6.530578|10.487014|0.157925|0.194876|12.525465|36.858105| |1.712377|3.374909|1.848551|1.648116|1.592483|1.700425|1.923873|2.030064|2.369991|2.699399|4.482339|4.003579|6.741936|5.356044|0.129753|7.588292|18.961338|7.865958|5.738794|4.020345|3.678743|5.013306|0.092050|0.090911|4.798332|5.633402|36.858105| |1.586031|3.109304|1.709568|1.534591|1.490149|1.592089|1.790605|1.874402|2.169712|2.399922|3.905200|3.439289|5.909963|4.449353|0.110979|5.380373|11.505231|7.018069|5.268523|3.916338|3.855784|5.473050|0.103079|0.096490|5.460918|5.626814|15.758690|73.516695| |1.663732|3.236101|1.760194|1.580941|1.520979|1.605503|1.794862|1.900176|2.180648|2.514251|4.086595|3.452897|5.746617|4.352701|0.111773|6.311102|10.649379|5.062812|4.197224|3.159376|2.888045|3.969556|0.074259|0.074473|3.634154|4.214739|12.983956|14.610702|36.858105| |1.516670|2.910329|1.579456|1.432804|1.379178|1.444862|1.596133|1.684314|1.903211|2.155345|3.418931|2.796658|4.683842|3.401494|0.090778|4.427161|6.974041|3.844517|3.349862|2.654847|2.503990|3.526494|0.067393|0.066802|3.199556|3.523060|7.498317|11.599353|14.149995|36.858105| |1.507180|2.867633|1.552017|1.415809|1.359611|1.413900|1.549978|1.637618|1.828215|2.088459|3.254717|2.589045|4.332204|3.028620|0.081883|3.915532|5.634346|3.190166|2.857840|2.327520|2.169689|3.014114|0.057730|0.058026|2.637819|2.929971|5.203262|7.944082|8.594975|13.373334|36.858105| |1.645276|3.149310|1.704216|1.547246|1.482270|1.543130|1.699281|1.802404|2.018706|2.361045|3.692954|2.931945|4.880056|3.385669|0.090358|4.624948|6.261015|3.415684|3.047869|2.458995|2.231954|3.031602|0.057404|0.058544|2.615982|2.998586|5.329948|7.547874|8.745781|8.571410|14.066830|36.858105| |1.764104|3.431195|1.862972|1.672234|1.603302|1.686163|1.882939|2.001766|2.285405|2.709222|4.368485|3.608318|5.968536|4.332737|0.111293|6.660362|9.182779|4.471251|3.833627|2.956089|2.626550|3.519249|0.065648|0.067196|3.082487|3.651924|7.753840|9.586920|14.064466|8.617652|8.634143|14.206576|73.516695| |1.681021|3.192535|1.726469|1.577796|1.508571|1.558656|1.702046|1.805938|1.991993|2.352031|3.579713|2.752675|4.602447|3.022220|0.081363|3.953787|5.041601|2.901983|2.655299|2.210018|1.992405|2.673854|0.050761|0.052221|2.241460|2.562226|3.933008|5.787395|5.360312|5.178609|7.367851|12.978850|14.107253|36.858105| |1.799654|3.442142|1.876066|1.714584|1.643716|1.703299|1.861850|1.969562|2.160246|2.602403|3.891931|2.975029|5.038390|3.129640|0.082655|4.095838|5.042671|2.947886|2.686419|2.262117|2.010223|2.640603|0.049954|0.051612|2.171711|2.498212|3.676878|5.381629|4.590626|4.112735|5.046332|7.666671|12.002102|13.685329|36.858105| |1.791799|3.384256|1.847121|1.708901|1.638115|1.680449|1.811837|1.910899|2.051313|2.454853|3.544743|2.630272|4.489027|2.674585|0.071601|3.289368|4.040122|2.478590|2.309461|2.002642|1.788895|2.345677|0.044623|0.046231|1.894697|2.153328|2.909860|4.415234|3.445639|3.200432|3.834509|5.074863|8.068206|7.914965|13.767021|36.858105| |1.668762|3.102493|1.682499|1.569524|1.500480|1.524549|1.627938|1.718416|1.829593|2.145173|3.082931|2.263134|3.842915|2.324119|0.063400|2.775393|3.462933|2.159150|2.041023|1.787519|1.617005|2.147412|0.041103|0.042547|1.733717|1.947470|2.554046|3.966905|3.033168|2.952681|3.622305|4.482363|6.751970|6.846868|7.934645|13.750350|36.858105| |1.573292|2.916645|1.572397|1.462922|1.395874|1.418447|1.518063|1.606731|1.724112|1.998617|2.920743|2.160329|3.638343|2.278599|0.062799|2.729193|3.461105|2.140104|2.026621|1.761005|1.607178|2.164396|0.041534|0.042872|1.767832|1.976565|2.633872|4.118769|3.224468|3.278637|4.245899|5.080239|7.064099|7.912319|6.874205|7.943288|13.739516|36.858105| |1.578549|2.953240|1.589963|1.466327|1.399150|1.431876|1.546848|1.640890|1.787010|2.075496|3.105450|2.338923|3.911857|2.540219|0.069854|3.138799|4.029720|2.420066|2.266652|1.929300|1.761564|2.389138|0.045720|0.047050|1.986042|2.232773|3.161017|4.867800|4.101627|4.282100|6.117037|7.683788|9.273015|13.677943|7.930033|6.879292|7.939120|13.780879|36.858105| |17.570682|16.426889|6.988906|6.745356|4.581512|3.732876|3.783906|4.723709|4.044119|3.935737|4.400098|2.654791|4.432118|2.308091|0.066608|2.122264|2.511279|1.833264|2.003639|2.019140|1.752973|2.247059|0.042349|0.047387|1.637839|1.850449|1.659392|2.724148|1.627305|1.487450|1.490766|1.634557|3.094034|1.689501|1.822999|1.839065|1.716069|1.603871|1.593133|0.500000| |17.641992|16.978988|5.866614|4.914452|3.622664|3.183414|3.413670|4.405582|4.224189|4.049881|4.796737|2.833531|4.576688|2.514692|0.074815|2.256643|2.647288|1.934939|2.170794|2.185285|1.884467|2.448316|0.045834|0.052322|1.786830|2.038665|1.751028|2.880153|1.709128|1.562685|1.554814|1.693952|3.218833|1.728249|1.834497|1.820952|1.706189|1.620140|1.629653|0.300093|0.500000| |17.573168|16.435062|7.054126|6.766142|4.603506|3.759737|3.819620|4.777595|4.084454|3.604381|4.143066|2.542260|4.258352|2.230194|0.064757|2.000975|2.402258|1.786754|1.982725|2.048421|1.793493|2.304711|0.043524|0.049172|1.652425|1.847528|1.590821|2.643188|1.539696|1.411537|1.397843|1.513299|2.876776|1.538536|1.636696|1.627824|1.524268|1.444369|1.450505|0.298944|0.300040|0.500000| |7.522609|12.554764|8.887607|17.765608|8.944858|5.657035|4.971441|5.610953|4.078153|3.610855|3.929291|2.476046|4.324910|2.115036|0.059396|1.934575|2.347323|1.753298|1.893433|1.966017|1.729078|2.177328|0.041355|0.045716|1.555578|1.723928|1.546129|2.564425|1.495513|1.365708|1.356719|1.478211|2.814194|1.514826|1.639037|1.646066|1.526582|1.425104|1.420420|0.227469|0.146748|0.225132|0.500000| |3.926101|7.458964|5.655203|8.939819|17.719828|8.928853|5.660556|4.933786|3.545374|3.116736|3.438225|2.279855|4.164114|1.939133|0.053055|1.792319|2.227338|1.687422|1.781795|1.879286|1.680505|2.082591|0.039923|0.043250|1.471681|1.602582|1.467365|2.451451|1.408947|1.286605|1.272757|1.382137|2.637431|1.411241|1.534004|1.538929|1.419505|1.320867|1.317585|0.113479|0.089254|0.113721|0.217193|0.500000| |3.134611|6.505538|4.943737|5.634619|8.915734|17.730058|8.893180|5.618790|4.084290|3.481091|3.816451|2.627844|5.040587|2.175213|0.057929|1.991852|2.507731|1.944546|2.031811|2.195453|1.958276|2.357066|0.045148|0.048458|1.642117|1.778781|1.627684|2.724590|1.535383|1.386436|1.355639|1.473988|2.856282|1.487115|1.623803|1.603515|1.456762|1.355847|1.367807|0.086522|0.075039|0.087061|0.124315|0.214330|0.500000| |3.331832|7.604160|5.661385|4.966028|5.671019|8.924330|17.698451|8.972243|7.036309|5.340211|5.558184|3.858654|7.738718|2.970544|0.077334|2.601900|3.228518|2.571637|2.746820|3.062165|2.606293|3.025055|0.056805|0.062071|2.083522|2.302701|2.026948|3.363660|1.867010|1.650492|1.590106|1.740907|3.459669|1.728631|1.890414|1.821494|1.627120|1.520629|1.559730|0.087885|0.082088|0.088681|0.107812|0.124373|0.215137|0.500000| |3.679723|8.946407|5.617555|4.200084|3.993366|4.762588|7.267877|8.930335|17.566913|8.904182|9.471458|6.178496|11.462373|4.309790|0.113252|3.400862|4.046196|3.284923|3.821729|4.401683|3.404836|3.899282|0.070612|0.081498|2.672737|3.093308|2.460517|4.040486|2.217458|1.926044|1.827553|2.005070|4.072836|1.952987|2.108144|1.981180|1.762919|1.669170|1.742683|0.091940|0.095489|0.094575|0.096469|0.090811|0.113254|0.222581|0.500000| |5.005067|13.437178|6.999343|4.687466|3.983871|4.237529|5.745430|8.897533|17.568180|8.878723|9.614594|5.268717|8.408218|4.042779|0.115988|3.199706|3.704385|2.884612|3.445861|3.752151|2.970393|3.618302|0.065529|0.077689|2.534267|2.978191|2.309316|3.785690|2.128719|1.873087|1.795223|1.964589|3.928927|1.928719|2.060228|1.953883|1.763497|1.678998|1.744834|0.115990|0.132904|0.124544|0.110611|0.090687|0.097819|0.146974|0.302247|0.500000| |5.028473|12.579059|6.320514|4.524342|3.817182|3.926552|4.952549|6.913910|8.828054|17.626069|12.588397|5.827517|8.979655|4.286509|0.120252|3.741271|4.063263|2.950317|3.310244|3.229838|2.571863|3.174156|0.057870|0.065916|2.349090|2.823822|2.508214|3.961663|2.398585|2.083289|2.051843|2.328230|4.656641|2.364347|2.624850|2.524759|2.223447|2.058867|2.111800|0.132114|0.134822|0.112666|0.110101|0.088547|0.091789|0.125457|0.174183|0.211107|0.500000| |3.665103|8.609855|5.180929|4.031095|3.777370|4.275952|5.747119|6.829190|8.828198|17.638509|12.542179|7.299776|13.304407|4.681091|0.118886|4.120259|4.572104|3.420414|3.688126|3.665251|2.868509|3.391498|0.061814|0.068860|2.481979|2.954279|2.727069|4.289325|2.543772|2.168568|2.109374|2.405727|4.927580|2.414614|2.728162|2.581278|2.220008|2.041312|2.111205|0.098492|0.095815|0.088585|0.095129|0.087689|0.103006|0.161744|0.214743|0.173990|0.302226|0.500000| |3.587244|7.898620|3.918616|3.069748|2.726155|2.858112|3.511751|4.374163|6.269998|9.006772|26.090151|9.435120|10.873279|7.507821|0.242803|5.524102|5.461605|3.918597|4.883728|4.407377|3.273676|4.121092|0.072514|0.086340|3.150591|4.128258|3.254775|5.045057|3.023308|2.556324|2.444942|2.761958|5.737731|2.675981|2.857014|2.603827|2.295853|2.198795|2.344708|0.091394|0.104495|0.086141|0.077733|0.065900|0.070371|0.096582|0.153550|0.181351|0.230121|0.182578|0.500000| |2.170516|4.331397|2.301064|1.995004|1.875995|1.979115|2.278430|2.508893|3.034639|3.732259|6.814048|5.824036|8.389711|8.655600|0.227424|17.676966|12.317438|5.918786|6.005041|4.130599|3.345682|4.458155|0.079152|0.086807|3.961021|5.494744|7.215347|9.133748|7.030230|4.972549|4.481794|5.385094|13.769362|4.493403|4.442203|3.504656|2.998223|3.012950|3.547774|0.058245|0.062608|0.054615|0.051934|0.047365|0.051394|0.065256|0.083993|0.082782|0.098161|0.101138|0.145943|0.500000| |2.274612|4.647567|2.544492|2.199138|2.097244|2.257419|2.637464|2.858857|3.469812|4.494361|8.049866|7.657551|11.890210|8.666198|0.182878|17.628254|12.339296|6.499007|5.866678|4.318972|3.396233|4.204575|0.075280|0.080862|3.488279|4.520474|6.005206|7.919616|5.508368|4.002115|3.737765|4.621538|11.603323|4.194667|4.671574|3.731097|3.028948|2.886277|3.259987|0.061591|0.064050|0.056987|0.056333|0.052552|0.058751|0.076860|0.097434|0.089856|0.113266|0.130938|0.151592|0.303180|0.500000| |1.740166|3.492139|1.954227|1.735684|1.701776|1.858776|2.135569|2.211580|2.618725|2.844733|4.673243|4.466898|8.193650|5.646222|0.127058|5.796553|12.502696|17.708867|8.545765|6.348021|6.302535|7.593301|0.135779|0.124200|6.765661|6.863672|7.651153|14.820877|4.832649|3.839973|3.105631|3.201226|7.199975|2.692247|2.683218|2.273483|2.009866|2.012773|2.279926|0.046287|0.048767|0.045436|0.044613|0.043312|0.049800|0.064283|0.079274|0.070275|0.070406|0.080221|0.090001|0.131738|0.135758|0.500000| |1.962742|4.026957|2.288297|2.008348|1.979155|2.200833|2.586553|2.664053|3.217364|3.602821|5.963366|6.320134|13.180777|7.021394|0.140848|6.998158|12.506603|17.598853|8.855465|7.021505|5.644156|6.033895|0.106772|0.106690|4.728078|5.489492|5.958644|9.448820|4.322770|3.364486|2.905116|3.170776|7.241259|2.786224|2.920368|2.488331|2.143688|2.088271|2.323763|0.052324|0.054370|0.050790|0.050885|0.049802|0.058753|0.079371|0.099400|0.083189|0.085931|0.105314|0.107854|0.141313|0.181472|0.301108|0.500000| |2.235869|4.714197|2.700955|2.312281|2.271534|2.571136|3.143204|3.271938|4.194378|4.191525|6.868679|7.041003|14.543038|6.561244|0.146579|4.737378|6.523754|6.883941|8.780844|17.643244|8.991847|7.603741|0.126941|0.143074|4.849941|5.527279|3.714938|6.316696|2.981998|2.500908|2.228335|2.385298|5.088904|2.177656|2.271620|2.025616|1.793036|1.745347|1.894965|0.057983|0.061564|0.058544|0.057655|0.056216|0.067794|0.098756|0.142256|0.110345|0.095245|0.115135|0.121350|0.107152|0.121898|0.160310|0.214026|0.500000| |2.354242|4.926897|2.714963|2.294406|2.193854|2.411770|2.918593|3.184276|4.175367|4.043569|6.935205|6.250278|10.182706|6.685160|0.175304|4.426351|5.779729|5.444539|8.773465|17.497856|8.885532|9.350265|0.143543|0.203649|5.678654|6.875217|3.474727|5.982642|2.851975|2.442239|2.175776|2.297318|4.817866|2.092733|2.139349|1.917285|1.725678|1.700540|1.849442|0.059880|0.066206|0.061829|0.057919|0.054330|0.062573|0.087646|0.134351|0.120050|0.094968|0.102976|0.133557|0.107080|0.108193|0.132306|0.143496|0.303912|0.500000| |1.749093|3.531942|2.002916|1.780795|1.762531|1.949007|2.252279|2.299741|2.722345|2.741782|4.329224|3.966726|7.515877|4.424385|0.106976|3.802060|6.108631|6.698553|6.736699|8.750863|17.634607|12.429691|0.225393|0.181349|6.879281|5.731435|3.919414|7.507585|3.013849|2.606160|2.236295|2.290472|4.812462|2.029840|2.048044|1.813081|1.633426|1.623586|1.785391|0.045877|0.048640|0.046444|0.045474|0.044776|0.052524|0.068931|0.085838|0.074010|0.066852|0.075906|0.082665|0.091042|0.094528|0.215066|0.176298|0.213619|0.173030|0.500000| |1.859545|3.774498|2.143705|1.895897|1.872669|2.074977|2.414424|2.474912|2.947100|2.810057|4.345632|3.789509|7.029382|3.984336|0.101792|3.229881|4.724755|4.619189|5.463413|8.764814|17.624816|12.369640|0.222549|0.225658|5.563210|4.911165|3.048189|5.641874|2.484610|2.192609|1.933020|1.987989|4.085881|1.801824|1.826748|1.647619|1.497493|1.483250|1.609577|0.048111|0.051617|0.049905|0.048247|0.047372|0.055668|0.073903|0.094791|0.081962|0.068247|0.075863|0.083451|0.079469|0.081645|0.131261|0.125744|0.212452|0.215317|0.301462|0.500000| |1.635170|3.230816|1.779481|1.586196|1.541227|1.657950|1.883279|1.973249|2.321050|2.432984|3.965034|3.501822|6.027401|4.478876|0.115405|4.196710|7.243797|6.670574|6.662392|5.647968|6.822823|12.338036|0.223988|0.180667|17.657096|8.772257|5.433273|12.128339|3.930634|3.456806|2.781038|2.726914|5.746786|2.304113|2.224712|1.926658|1.757745|1.795287|2.028554|0.043092|0.046373|0.043127|0.041205|0.039444|0.044291|0.055748|0.069387|0.064640|0.061539|0.066187|0.079952|0.107434|0.097084|0.239578|0.141069|0.126572|0.131180|0.203340|0.141273|0.500000| |1.658498|3.245495|1.758556|1.563769|1.502079|1.595510|1.805033|1.920477|2.260548|2.334651|3.807055|3.195906|5.281816|4.068113|0.114800|3.641653|5.576146|4.619584|5.434489|4.880591|5.565198|12.366226|0.221678|0.226284|17.625875|8.773375|4.182371|8.520665|3.356701|3.077233|2.550673|2.481654|5.061429|2.131355|2.038520|1.791027|1.659767|1.707978|1.918264|0.043353|0.047589|0.043909|0.040921|0.038479|0.042327|0.052637|0.066528|0.064707|0.059957|0.061943|0.079379|0.098563|0.084529|0.139973|0.104314|0.107397|0.128465|0.141938|0.126522|0.301516|0.500000| |2.099327|4.202967|2.228604|1.920468|1.808436|1.919782|2.229550|2.458357|3.053563|3.221605|5.706557|4.825880|7.212403|6.966324|0.225525|5.119429|6.754798|5.479678|8.801050|6.922967|5.753154|9.441744|0.144347|0.205758|8.902309|17.501655|4.420141|7.700619|3.597737|3.102304|2.668580|2.740881|5.766128|2.398947|2.345432|2.054625|1.875030|1.901392|2.124532|0.054120|0.060883|0.054657|0.049856|0.045584|0.049932|0.064539|0.088994|0.089369|0.081563|0.082201|0.123576|0.137728|0.112573|0.138510|0.123365|0.140982|0.204755|0.132913|0.129487|0.173341|0.215834|0.500000| |1.899461|3.763001|2.014562|1.761860|1.673572|1.776200|2.037422|2.209727|2.672495|2.940113|5.143058|4.501795|6.932641|6.971309|0.198676|6.522704|9.794630|6.916150|8.706979|5.517402|4.880887|7.647157|0.127386|0.143886|9.044761|17.619492|7.013092|12.119815|5.202590|4.291041|3.449108|3.482265|7.639551|2.880048|2.739558|2.320226|2.103253|2.163874|2.491458|0.049922|0.054819|0.049198|0.045923|0.042497|0.046601|0.059142|0.077235|0.075578|0.075370|0.077802|0.109291|0.182270|0.132424|0.178633|0.139859|0.122854|0.140272|0.127813|0.107818|0.214867|0.213680|0.304256|0.500000| |1.429230|2.733806|1.485853|1.352562|1.305043|1.367154|1.505684|1.583148|1.783218|1.985258|3.128777|2.555867|4.309799|3.098827|0.083378|3.808564|6.125081|3.606665|3.176093|2.564577|2.486272|3.578245|0.069355|0.067483|3.280696|3.455557|6.548753|11.925723|8.843861|17.813734|8.478603|5.838062|10.451699|4.054759|3.347612|2.721012|2.556814|2.831060|3.558839|0.038816|0.040906|0.037176|0.035862|0.033903|0.036546|0.043308|0.050386|0.049012|0.053166|0.055235|0.064998|0.115563|0.094807|0.104037|0.087049|0.066497|0.065598|0.072215|0.060581|0.100010|0.089540|0.084397|0.116459|0.500000| |1.412871|2.664660|1.441695|1.324518|1.272891|1.317170|1.432650|1.509740|1.668156|1.886121|2.894548|2.268636|3.815430|2.601994|0.071152|3.221424|4.580183|2.715462|2.475459|2.066688|1.948603|2.721557|0.052628|0.052738|2.349144|2.558722|4.081684|6.574523|5.856645|8.513305|17.818301|8.779016|10.458315|6.355324|4.413444|3.569051|3.548644|4.346345|6.231942|0.038929|0.040520|0.036532|0.035434|0.033260|0.035158|0.040673|0.046191|0.045652|0.051833|0.052817|0.060553|0.100836|0.086307|0.074229|0.069506|0.055085|0.054151|0.055658|0.048750|0.068476|0.063982|0.065739|0.082259|0.194052|0.500000| |1.876985|3.643621|2.002588|1.817341|1.750122|1.833707|2.025039|2.135033|2.365225|2.891698|4.364167|3.422088|5.866772|3.565000|0.091273|4.864847|5.930998|3.398385|3.021257|2.516800|2.208617|2.856060|0.053718|0.055442|2.344814|2.723410|4.143466|5.903437|4.998949|4.173723|4.746351|7.071177|13.501868|8.905172|17.743213|8.930283|5.648436|4.954720|5.642186|0.052606|0.052809|0.047343|0.047807|0.045100|0.048566|0.057625|0.064604|0.061913|0.079617|0.085692|0.087145|0.140260|0.164277|0.084304|0.095096|0.070942|0.065306|0.062843|0.055406|0.067034|0.060219|0.070146|0.082349|0.094236|0.111473|0.500000| |1.862767|3.527797|1.943159|1.806733|1.739370|1.785384|1.917088|2.010176|2.132928|2.567501|3.617770|2.662177|4.606773|2.623425|0.069667|3.157944|3.855852|2.418207|2.258303|1.987296|1.767695|2.291670|0.043597|0.045227|1.826881|2.072147|2.707481|4.137946|3.083419|2.820763|3.238062|4.128242|7.001205|5.638571|8.936708|17.722751|8.913811|5.647033|4.955700|0.053548|0.052116|0.046887|0.048245|0.045417|0.047371|0.053433|0.057024|0.055823|0.073658|0.076259|0.072795|0.090806|0.101725|0.061322|0.068671|0.056516|0.052918|0.049745|0.045490|0.051498|0.047735|0.055090|0.061098|0.067740|0.083632|0.215794|0.500000| |1.638169|3.018339|1.640394|1.544705|1.478446|1.492482|1.578698|1.660885|1.745337|2.029002|2.864094|2.079947|3.551992|2.104365|0.057601|2.449167|3.063125|1.950179|1.858715|1.652413|1.500177|1.988967|0.038195|0.039558|1.589546|1.772920|2.241807|3.531613|2.593555|2.531635|3.015706|3.577621|5.582902|4.938962|5.645035|8.912172|17.724335|8.910252|5.647649|0.047160|0.046399|0.041640|0.041970|0.039068|0.039680|0.043604|0.046538|0.046725|0.058849|0.058367|0.059149|0.072565|0.074082|0.050604|0.054129|0.046219|0.044549|0.042007|0.038871|0.044631|0.042378|0.047733|0.052658|0.062116|0.083026|0.124220|0.214808|0.500000| |1.487075|2.732010|1.470538|1.376376|1.312991|1.327505|1.411852|1.492505|1.590985|1.821250|2.642799|1.943122|3.276580|2.045573|0.056821|2.393803|3.061296|1.925613|1.839806|1.615866|1.486487|2.013390|0.038818|0.040032|1.637227|1.812717|2.339718|3.727016|2.812776|2.917426|3.699047|4.133769|5.902162|5.637492|4.953295|5.646969|8.907813|17.725827|8.941107|0.042160|0.042623|0.038094|0.037446|0.034668|0.035300|0.039166|0.042753|0.043266|0.052270|0.051380|0.055465|0.073069|0.069411|0.050715|0.052115|0.044383|0.043573|0.041627|0.038306|0.046074|0.044276|0.048756|0.054905|0.071759|0.109048|0.107565|0.124113|0.214709|0.500000| 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