Version2.0 2020-07-19T16:28:44Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 21-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(=O)N[C@@H]1C[C@H](NN1c2ccc(cc2)C(=O)N(C)CCc3c[nH]c4c3cccc4)c5ccccc5 C38738665 RHF 6-31G(d) (6D,7F) CC(=O)N[C@@H]1C[C@H](NN1c2ccc(cc2)C(=O)N(C)CCc3c[nH]c4c3cccc4)c5ccccc5 C01[X(C29H31N5O2)] 195 C1 602 CC(=O)N[C@@H]1C[C@H](NN1c1ccc(cc1)C(=O)N(CCc1c[nH]c2c1cccc2)C)c1ccccc1 CC(=O)N[C@@H]1C[C@H](NN1c1ccc(cc1)C(=O)N(CCc1c[nH]c2c1cccc2)C)c1ccccc1 CN(CCc1c[nH]c2ccccc12)C(=O)c3ccc(cc3)N4N[C@@H](C[C@H]4NC(C)=O)c5ccccc5 InChIKey=MQAKIUNQKDZTQB-NSOVKSMOSA-N InChI=1S/C29H31N5O2/c1-20(35)31-28-18-27(21-8-4-3-5-9-21)32-34(28)24-14-12-22(13-15-24)29(36)33(2)17-16-23-19-30-26-11-7-6-10-25(23)26/h3-15,19,27-28,30,32H,16-18H2,1-2H3,(H,31,35)/t27-,28-/m0/s1 InChI=1/C29H31N5O2/c1-20(35)31-28-18-27(21-8-4-3-5-9-21)32-34(28)24-14-12-22(13-15-24)29(36)33(2)17-16-23-19-30-26-11-7-6-10-25(23)26/h3-15,19,27-28,30,32H,16-18H2,1-2H3,(H,31,35)/t27-,28-/m0/s1/f/h31H CC(=O)N[C@@H]1C[C@H](NN1c2ccc(cc2)C(=O)N(C)CCc3c[nH]c4c3cccc4)c5ccccc5 C01[X(C29H31N5O2)] 195 C01 602 CC(=O)N[C@@H]1C[C@H](NN1c1ccc(cc1)C(=O)N(CCc1c[nH]c2c1cccc2)C)c1ccccc1 CC(=O)N[C@@H]1C[C@H](N[N@]1[C]1[CH][CH][C]([CH][CH]1)C(=O)N(CC[C]1=CN[C]2[C]1[CH][CH][CH][CH]2)C)[C]1[CH][CH][CH][CH][CH]1 CN(CCC1=CN[C]2[CH][CH][CH][CH][C]12)C(=O)[C]3[CH][CH][C]([CH][CH]3)N4N[C@@H](C[C@H]4NC(C)=O)[C]5[CH][CH][CH][CH][CH]5 InChIKey=MQAKIUNQKDZTQB-NSOVKSMOSA-N InChI=1S/C29H31N5O2/c1-20(35)31-28-18-27(21-8-4-3-5-9-21)32-34(28)24-14-12-22(13-15-24)29(36)33(2)17-16-23-19-30-26-11-7-6-10-25(23)26/h3-15,19,27-28,30,32H,16-18H2,1-2H3,(H,31,35)/t27-,28-/m0/s1 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727.28 741.13 777.41 807.04 809.67 849.09 860.64 882.26 901.17 914.64 938.92 977.68 980.98 996.55 1000.16 1008.37 1020.21 1064.98 1121.26 1127.20 1155.87 1165.54 1184.70 1215.53 1218.72 1224.10 1238.76 1248.55 1290.77 1345.37 1346.78 1355.24 1372.04 1382.04 1390.78 1391.47 1425.42 1463.26 1474.41 1493.92 1521.16 1543.98 1553.67 1568.50 1575.45 1578.31 1588.32 1590.95 1593.80 1599.46 1602.55 1603.92 1608.36 1620.76 1622.08 1625.00 1631.78 1684.02 1688.96 1701.90 1709.00 1712.20 1739.25 1750.66 1772.53 1777.94 1790.44 1792.60 1809.35 1838.60 1841.91 1871.50 1879.14 1895.46 1900.30 1933.48 1937.78 1940.39 1945.62 1972.71 1995.27 2000.56 2024.45 2028.84 2047.98 2065.15 2094.09 2101.78 2111.07 2113.16 2150.88 2163.39 2166.91 2207.47 2230.45 2239.99 2240.34 2255.95 2272.30 2276.35 2311.34 2319.10 2333.79 2338.09 2340.89 2345.95 2355.23 2355.66 2370.16 2374.52 2391.17 2402.29 2405.47 2410.97 2442.31 2518.76 2533.22 2568.67 2570.62 2606.97 2610.08 2621.65 2724.81 2809.04 4576.34 4610.15 4616.67 4632.82 4647.95 4672.07 4689.87 4702.31 4724.18 4773.39 4784.33 4794.39 4794.71 4816.18 4819.34 4819.71 4832.12 4836.76 4848.83 4849.73 4853.14 4869.09 4869.77 4875.87 4885.98 4888.09 4933.31 4941.75 5400.24 5596.47 5649.13 0.599453 0.630133 0.631077 0.530827 -1537.605929 -1537.575248 -1537.574304 -1537.674554 3.362401D-04 MUNgauss RevisionA2.0 retrievium 19-Jul-2020 DUDE CC(=O)N[C@@H]1C[C@H](NN1c2ccc(cc2)C(=O)N(C)CCc3c[nH]c4c3cccc4)c5ccccc5 C38738665 RHF 6-31G(d) (6D,10F) C1 481.247775 |X|Y|Z| 170.605871 62.555431 35.079338 72.072590 30 6 7 26 4 |36.858105| |12.588073|36.858105| |8.000765|15.849401|73.516695| |7.837689|14.075963|15.143633|53.358707| |5.010974|7.759388|12.226956|17.808320|36.858105| |4.695614|7.170236|12.813657|12.505100|17.667491|0.500000| |4.140359|5.925142|10.491059|10.417848|12.494639|0.244595|36.858105| |3.627400|4.635474|7.611660|8.401745|8.035269|0.160533|12.486809|36.858105| |4.012741|4.950310|7.731448|8.969997|7.004109|0.140638|8.940531|17.504041|0.500000| |3.395248|4.221389|6.777182|7.986850|8.088057|0.166757|8.199702|13.006744|0.250837|53.358707| |4.014592|5.235903|8.127487|10.972411|13.087305|0.252087|8.118795|8.156035|0.189940|18.119002|53.358707| |3.365304|4.160973|6.777088|7.555622|7.737568|0.209345|5.543580|5.353448|0.127560|10.843865|18.444047|36.858105| |3.478501|4.211526|6.917843|7.130938|6.444788|0.203145|4.494183|4.066744|0.102427|7.041604|10.737505|13.639763|36.858105| |2.845125|3.284083|5.561551|5.189278|4.443288|0.138999|3.475892|3.222887|0.081821|5.399542|7.038283|7.900234|13.809046|36.858105| |2.416555|2.755805|4.709139|4.342303|3.754886|0.112424|3.153314|3.042861|0.076343|5.175827|6.155774|6.786190|7.901065|13.703602|36.858105| |2.383118|2.746129|4.665721|4.445582|3.973668|0.113506|3.456845|3.486008|0.085362|6.264200|6.997014|7.921898|6.915432|7.998291|13.729703|36.858105| |2.715521|3.220194|5.384002|5.486474|5.219196|0.141459|4.466119|4.649689|0.109720|9.406863|10.580046|13.682461|7.944219|6.888104|7.880196|13.775726|36.858105| |2.065097|2.292625|3.958689|3.493340|2.906475|0.086435|2.536217|2.464248|0.062877|4.015367|4.542189|4.425968|5.006316|7.486223|12.700999|7.682884|5.054641|36.858105| |1.894234|2.074165|3.558578|3.161668|2.592149|0.075131|2.307896|2.300822|0.059164|3.747071|4.093039|3.839000|4.082752|5.415633|8.136601|6.682700|4.541024|15.780505|73.516695| |1.978499|2.184174|3.831838|3.239449|2.659666|0.080759|2.336182|2.218947|0.056973|3.495378|3.964964|3.693171|4.324652|6.244259|7.712873|5.240391|3.942202|14.002225|15.123701|53.358707| |2.069437|2.315881|4.149533|3.376207|2.799411|0.087803|2.459052|2.263123|0.057795|3.489515|4.010532|3.676147|4.415009|6.111954|6.408055|4.607162|3.737044|7.630445|9.488365|17.875864|36.858105| |1.739265|1.884142|3.307486|2.756341|2.213673|0.066150|1.982966|1.905222|0.049483|2.949447|3.264263|2.907331|3.285694|4.305929|5.023596|3.922745|3.102881|7.911797|12.667011|17.787470|7.717700|36.858105| |1.572049|1.706888|3.019132|2.490791|2.013946|0.059710|1.851358|1.790728|0.046308|2.745751|2.958954|2.586116|2.795890|3.467874|4.128527|3.530029|2.828517|5.921271|10.570573|10.341839|5.828877|12.404832|36.858105| |1.417468|1.518489|2.680587|2.198206|1.748744|0.051327|1.620111|1.578882|0.041237|2.394002|2.553022|2.176621|2.330865|2.791188|3.195937|2.830852|2.353405|4.239530|7.994380|6.778476|4.121990|7.558818|12.682816|36.858105| |1.322863|1.410558|2.505032|2.020152|1.596438|0.046921|1.489613|1.444544|0.037869|2.160553|2.297096|1.925968|2.060714|2.414166|2.674261|2.397420|2.050260|3.347469|6.104897|5.354811|3.545745|5.402239|7.440035|14.119955|36.858105| |1.229957|1.300402|2.300359|1.859060|1.455732|0.042429|1.363112|1.331919|0.035134|1.984812|2.096143|1.737310|1.844531|2.125718|2.333073|2.127329|1.845170|2.849274|5.319642|4.357344|2.876976|4.185044|5.147348|8.507172|13.852781|53.358707| |1.165500|1.228144|2.177548|1.746652|1.362044|0.039661|1.280922|1.250346|0.033067|1.850195|1.948662|1.600379|1.695053|1.930102|2.091293|1.920996|1.688603|2.493802|4.606523|3.787874|2.567241|3.495913|4.136291|5.975540|9.026549|26.138936|0.500000| |1.244174|1.312337|2.304633|1.889179|1.476902|0.042747|1.379225|1.360227|0.035943|2.042360|2.150502|1.787781|1.887849|2.179596|2.423657|2.224629|1.915902|2.994620|5.815817|4.419845|2.801696|4.254903|5.081835|8.314121|8.534108|18.931558|0.250927|36.858105| |1.355651|1.439693|2.520883|2.090819|1.648181|0.047790|1.528911|1.509463|0.039681|2.293981|2.426624|2.051463|2.172285|2.561681|2.930179|2.656560|2.227898|3.803792|7.643705|5.597737|3.349826|5.727617|7.236490|13.150217|8.523171|11.608558|0.165720|13.610436|36.858105| |1.383227|1.465256|2.543122|2.147083|1.689025|0.048491|1.562841|1.562310|0.041165|2.397932|2.523859|2.138947|2.241164|2.633467|3.061531|2.823875|2.352619|3.969350|8.577894|5.411492|3.140214|5.143147|5.759900|7.278528|5.264166|7.298467|0.118687|7.883321|13.611098|36.858105| |1.288296|1.352604|2.340974|1.975277|1.538031|0.043808|1.430985|1.440506|0.038234|2.195403|2.291489|1.908660|1.982421|2.272950|2.579787|2.430729|2.082097|3.166042|6.673336|4.254988|2.574923|3.804458|4.084637|5.011131|4.179022|6.327143|0.109366|6.929765|7.974817|13.850506|36.858105| |1.191545|1.245478|2.165169|1.802653|1.396142|0.039833|1.306129|1.308998|0.034853|1.971503|2.054538|1.690709|1.759220|1.993448|2.213723|2.086367|1.820386|2.652005|5.349058|3.664970|2.301251|3.266227|3.548294|4.545653|4.188563|7.024440|0.126188|8.048028|6.873220|7.877605|13.568013|36.858105| |1.172107|1.227694|2.147717|1.766122|1.370333|0.039362|1.283946|1.275540|0.033893|1.909488|1.997507|1.643065|1.721271|1.956206|2.155799|2.010835|1.756937|2.590380|5.077810|3.702837|2.369177|3.378735|3.791840|5.249286|5.289735|10.333546|0.184719|13.661419|7.792455|6.738945|7.860817|13.852717|36.858105| |2.878926|3.483907|5.995205|5.686599|5.061672|0.116235|7.412724|12.577470|0.249115|10.471521|7.077818|4.075481|3.222447|2.714031|2.663727|3.086521|3.920856|2.227720|3.757444|2.745775|2.051248|1.759303|1.687162|1.498028|1.377008|1.734146|0.033322|1.299908|1.435430|1.483977|1.374670|1.254148|1.222717|36.858105| |2.720567|3.168129|5.470217|4.916287|4.001097|0.094380|5.463573|7.585160|0.205088|7.055465|5.373486|3.197280|2.661339|2.288401|2.238591|2.529229|3.070866|1.920265|3.267233|2.396952|1.789705|1.560649|1.502529|1.350889|1.251496|1.587149|0.030647|1.188585|1.301102|1.343461|1.255437|1.153348|1.124821|13.724988|36.858105| |2.283396|2.596568|4.563125|3.907851|3.156276|0.077713|4.065956|5.019634|0.133635|5.373282|4.281689|2.691653|2.288444|2.023261|2.011337|2.266528|2.666964|1.760434|3.021452|2.210662|1.647953|1.455503|1.418302|1.283465|1.194458|1.519792|0.029430|1.136793|1.238429|1.276507|1.197675|1.104915|1.078685|7.893678|13.736854|36.858105| |2.064137|2.354924|4.180775|3.549320|2.946466|0.074303|3.716618|4.425646|0.111260|5.111591|4.085210|2.664608|2.257770|2.029616|2.056595|2.345728|2.729233|1.811723|3.122095|2.270804|1.690228|1.496900|1.474747|1.331647|1.238047|1.572227|0.030420|1.175372|1.282434|1.320541|1.236012|1.139219|1.113119|6.826746|7.940353|13.769896|36.858105| |2.129574|2.474882|4.398895|3.807259|3.300623|0.083632|4.185414|5.005082|0.116994|6.057864|4.701727|3.113049|2.570722|2.308909|2.371869|2.770827|3.276723|2.063323|3.542214|2.560753|1.905139|1.669541|1.648365|1.472125|1.359292|1.714918|0.033033|1.282860|1.410717|1.453572|1.349578|1.236267|1.207909|7.907393|6.899571|7.957643|13.733661|36.858105| |2.469759|2.952809|5.191654|4.716538|4.302956|0.105511|5.755153|7.512639|0.156222|8.845415|6.273459|3.978683|3.134799|2.726875|2.769707|3.294380|4.124468|2.333257|3.954945|2.862089|2.133260|1.833062|1.784082|1.575840|1.444669|1.812887|0.034773|1.358225|1.504893|1.554114|1.433275|1.304769|1.273326|13.691920|7.965362|6.880824|7.925065|13.767855|36.858105| |17.625630|8.965644|13.211207|7.933329|4.188194|0.111126|3.727287|3.261864|0.099879|4.052953|4.605300|2.887433|2.961099|2.491299|2.154101|2.128656|2.397333|1.870144|3.063758|2.461087|1.900832|1.605316|1.463622|1.327348|1.247021|1.581947|0.030711|1.171487|1.268881|1.289316|1.204809|1.120593|1.105571|2.686336|2.601406|2.213594|1.992335|2.028498|2.313634|0.500000| |17.578511|8.758894|10.466262|10.036238|4.717843|0.117041|3.968536|3.710037|0.118618|4.755958|5.482789|3.320838|3.342591|2.740752|2.363303|2.362520|2.710916|2.022230|3.336404|2.605648|1.969328|1.691534|1.532077|1.387174|1.290890|1.641226|0.031721|1.226631|1.336923|1.373997|1.285838|1.186758|1.161125|2.935451|2.804742|2.338539|2.093485|2.145085|2.486625|0.298982|0.500000| |17.548789|8.948853|11.822236|8.788749|4.500638|0.123350|3.615662|3.185418|0.095041|4.229097|5.107490|3.304164|3.577745|2.971410|2.478922|2.388634|2.666136|2.132855|3.459682|2.806591|2.161633|1.814302|1.622271|1.464037|1.367145|1.729326|0.033431|1.284114|1.398842|1.424466|1.325218|1.226531|1.208266|2.570500|2.406552|2.054712|1.888165|1.963200|2.262165|0.301657|0.300627|0.500000| |7.425938|9.330162|10.870533|26.078079|9.091270|0.189965|5.989718|5.652582|0.175809|7.920078|10.764289|5.545155|5.222509|3.823599|3.212946|3.298580|4.065378|2.589645|4.214059|3.227904|2.419536|2.028809|1.823043|1.616604|1.479868|1.862473|0.035664|1.399566|1.550957|1.605930|1.483471|1.349242|1.314181|3.912846|3.425298|2.743688|2.492359|2.661553|3.266621|0.149455|0.224857|0.177956|0.500000| |4.459377|6.471687|12.253999|9.805023|8.726918|0.195799|17.648138|8.677884|0.218754|7.882315|7.897452|4.309454|3.755090|3.004571|2.718254|2.905828|3.574912|2.248504|3.656710|2.868291|2.232201|1.814754|1.699410|1.501720|1.392733|1.741733|0.033560|1.290072|1.418719|1.443928|1.329501|1.222013|1.204668|6.325083|5.375999|4.041441|3.568848|3.808553|4.857105|0.115809|0.116308|0.104511|0.153187|0.500000| |3.471936|4.736333|8.908826|7.673330|8.890794|0.224650|17.567004|8.849337|0.174978|9.609916|9.328317|5.427339|4.413249|3.531926|3.277010|3.625242|4.622103|2.639135|4.239537|3.325013|2.606109|2.061095|1.944316|1.687873|1.552101|1.921306|0.036815|1.421996|1.579599|1.605180|1.461110|1.333881|1.316661|6.993406|5.038263|3.996220|3.861831|4.561167|6.333117|0.088656|0.091414|0.087185|0.129113|0.300677|0.500000| |3.272186|3.862730|6.053829|7.175987|6.233995|0.134141|6.028039|9.353246|0.234231|25.895227|13.155191|6.703736|4.650720|3.682098|3.575250|4.317473|6.182183|2.831086|4.799094|3.328119|2.393055|2.091707|1.944711|1.712437|1.543230|1.943908|0.036988|1.479694|1.659826|1.751872|1.616508|1.448311|1.393052|6.553231|4.883653|3.782950|3.551478|4.064800|5.527131|0.079548|0.096551|0.083518|0.157109|0.131758|0.144422|0.500000| |4.164354|5.104021|8.179678|8.495272|6.973269|0.230402|4.549223|3.956670|0.103019|6.405197|9.847120|8.875485|17.731110|8.968859|5.640876|4.976328|5.643970|4.084246|6.078611|5.096280|3.937754|2.956055|2.517779|2.140854|1.922450|2.358013|0.044541|1.762983|2.000264|2.048897|1.832713|1.645147|1.616087|3.084547|2.603062|2.224704|2.159218|2.410450|2.913104|0.095790|0.108306|0.122360|0.170884|0.109222|0.119495|0.118737|0.500000| |2.779875|3.129522|5.347479|4.739556|3.858135|0.122142|3.061969|2.808363|0.072694|4.507010|5.721758|5.642703|8.994584|17.724593|8.892905|5.665422|4.960942|6.866344|8.875507|9.095947|6.862121|4.641830|3.557164|2.883293|2.514069|3.001973|0.055667|2.243623|2.622443|2.654605|2.288364|2.023924|2.003471|2.394288|2.062661|1.838726|1.836942|2.059219|2.388174|0.068047|0.073614|0.082577|0.096897|0.075722|0.085911|0.086468|0.218310|0.500000| |2.114123|2.399076|4.103622|3.813151|3.331049|0.093880|3.033661|3.126918|0.077086|5.448955|5.668527|5.644767|4.976242|5.679394|8.960106|17.739618|8.950846|7.198244|12.928274|6.705619|4.183713|3.904561|3.696250|2.973135|2.487715|3.013784|0.055286|2.339727|2.822317|3.047243|2.609489|2.213218|2.116809|2.887335|2.398482|2.193508|2.306593|2.733007|3.160504|0.053107|0.058537|0.058650|0.078696|0.072041|0.088938|0.106755|0.107968|0.124484|0.500000| |2.565527|3.022394|5.063219|5.134033|4.833384|0.124852|4.517056|5.103886|0.117561|10.801331|9.644064|8.914827|5.650399|4.966170|5.631897|8.939581|17.798006|4.132105|6.961760|4.524546|3.159625|2.728722|2.562959|2.173184|1.908629|2.359980|0.044287|1.803946|2.078750|2.204562|1.976594|1.735448|1.668870|4.510013|3.435803|2.988223|3.105015|3.834885|4.944165|0.063613|0.071995|0.068818|0.105755|0.099965|0.130412|0.200577|0.124039|0.107766|0.216111|0.500000| |2.143344|2.373438|4.256249|3.403857|2.757195|0.087153|2.388728|2.178507|0.056296|3.318255|3.867307|3.464107|4.314485|5.814358|5.392412|3.954535|3.367685|5.986769|7.946362|12.309750|17.536831|6.567448|4.816110|3.706894|3.300944|3.720705|0.068591|2.647091|3.085223|2.890787|2.420567|2.192588|2.264084|1.956599|1.722272|1.580338|1.604965|1.789178|2.002561|0.054681|0.056246|0.063092|0.067807|0.060948|0.069361|0.063495|0.112283|0.203623|0.098490|0.079498|0.500000| |1.882878|2.097145|3.795913|3.023229|2.497339|0.077668|2.253664|2.079112|0.053122|3.153202|3.534148|3.138277|3.595832|4.591139|4.930838|3.902851|3.238253|5.916158|8.197345|12.454405|17.570836|7.323325|6.480153|4.493577|3.970114|4.234095|0.077177|2.937420|3.473363|3.132846|2.560589|2.323931|2.440779|1.918848|1.687784|1.571206|1.622346|1.824256|2.013310|0.048586|0.049782|0.054314|0.059914|0.057385|0.066891|0.060127|0.090775|0.137324|0.102882|0.078541|0.301513|0.500000| |2.238973|2.565277|4.629519|3.780158|3.235596|0.103766|2.824692|2.555900|0.064303|3.967203|4.623602|4.350221|5.251775|7.241830|7.408207|5.346427|4.384087|7.239076|8.943864|12.364196|17.679603|5.653243|4.725492|3.480098|3.034319|3.435598|0.063291|2.478471|2.925981|2.809010|2.347268|2.097899|2.136850|2.298141|1.976152|1.806897|1.856712|2.115933|2.401776|0.056874|0.058870|0.064425|0.074239|0.070268|0.084504|0.074119|0.126154|0.206331|0.129227|0.100741|0.300845|0.303103|0.500000| |1.717656|1.848322|3.262351|2.665658|2.115950|0.063671|1.892905|1.800507|0.047040|2.748094|3.058548|2.674520|3.068763|3.931661|4.248361|3.357270|2.768705|5.849745|9.192413|12.557121|7.461011|17.556465|8.822979|6.774588|5.509463|5.773212|0.100218|4.103349|5.101885|4.391103|3.424411|3.070736|3.263655|1.659473|1.482582|1.383129|1.415550|1.566990|1.715513|0.044226|0.046134|0.050127|0.054309|0.048587|0.054486|0.054048|0.078870|0.122951|0.090922|0.067969|0.202039|0.206164|0.146786|0.500000| |1.715227|1.839006|3.193239|2.702972|2.145285|0.063236|1.915446|1.865001|0.048798|2.903848|3.201933|2.837639|3.184098|4.120650|4.811523|3.831380|3.039742|7.511746|13.970824|12.546429|5.729001|17.666235|8.845037|7.047607|4.979075|5.658473|0.095954|4.521814|6.319916|6.210016|4.463952|3.674444|3.672247|1.719342|1.530883|1.426650|1.462053|1.623602|1.781580|0.043857|0.046721|0.049777|0.055918|0.048710|0.054712|0.057958|0.079771|0.122457|0.106986|0.074662|0.145185|0.145627|0.127579|0.303305|0.500000| |1.581271|1.725509|3.040937|2.544813|2.077239|0.061064|1.921921|1.879660|0.048336|2.911316|3.099726|2.730103|2.877902|3.546543|4.448171|3.954227|3.084666|6.484206|12.631338|9.648459|5.281017|8.902378|17.578393|8.948458|5.759132|6.027360|0.101085|4.624584|6.646593|5.994901|4.208787|3.524099|3.617140|1.781594|1.577857|1.492140|1.561644|1.758822|1.903157|0.040810|0.043019|0.045015|0.051844|0.048645|0.056264|0.057373|0.070755|0.097198|0.120295|0.078240|0.118546|0.155447|0.127811|0.174296|0.209720|0.500000| |1.564031|1.708140|3.053148|2.474594|2.012509|0.060212|1.864157|1.782704|0.045914|2.704399|2.912839|2.527175|2.730517|3.338010|3.871599|3.343342|2.735513|5.149457|8.594187|9.247071|6.210142|8.810861|17.530022|8.952052|7.035645|6.434885|0.110047|4.334734|5.469832|4.409537|3.369774|3.048562|3.315625|1.686532|1.502411|1.421903|1.482680|1.658995|1.790187|0.040632|0.042074|0.044753|0.049830|0.047696|0.054876|0.052703|0.068787|0.095286|0.095968|0.069083|0.139691|0.219984|0.139948|0.214458|0.173635|0.303161|0.500000| |1.315240|1.405512|2.513176|2.000179|1.582517|0.046781|1.481569|1.425302|0.037320|2.115966|2.253248|1.879968|2.017082|2.347433|2.560674|2.294246|1.983529|3.127575|5.523169|5.093719|3.572837|4.875374|6.418571|8.696976|17.778224|12.194514|0.212432|5.881643|5.789937|4.091147|3.384075|3.409131|4.174587|1.360341|1.237957|1.182900|1.226378|1.345121|1.427311|0.034559|0.035483|0.037762|0.040466|0.038620|0.043047|0.041754|0.052598|0.068227|0.065475|0.051294|0.093184|0.115180|0.085008|0.144849|0.119436|0.139147|0.195220|0.500000| |1.480503|1.576730|2.724932|2.332729|1.847542|0.052949|1.699818|1.706514|0.044788|2.653664|2.798962|2.408124|2.515203|2.997738|3.602496|3.321431|2.693996|4.847913|11.413702|6.239313|3.451939|5.724493|6.106204|6.467471|4.568999|5.908464|0.099028|5.608890|8.840220|17.706225|8.920202|5.608243|4.881197|1.613666|1.449736|1.371186|1.419555|1.572748|1.693766|0.038125|0.040927|0.042293|0.048606|0.043294|0.048500|0.053926|0.062933|0.082720|0.101179|0.069651|0.086684|0.093361|0.086407|0.127388|0.200455|0.191735|0.126659|0.103259|0.500000| |1.292419|1.352823|2.328807|1.984241|1.539847|0.043537|1.433172|1.455413|0.038752|2.225984|2.310765|1.916893|1.973270|2.239668|2.542003|2.433976|2.099371|3.052885|6.526775|3.973360|2.409752|3.401877|3.534054|4.036556|3.413267|5.013000|0.089548|4.981590|5.656435|8.961883|17.716496|8.878781|5.627230|1.389631|1.270935|1.212187|1.249239|1.361746|1.446027|0.033521|0.036024|0.036857|0.041621|0.036946|0.040463|0.045879|0.050632|0.062063|0.072911|0.055725|0.063092|0.065652|0.061932|0.084806|0.111108|0.103443|0.082417|0.079601|0.215154|0.500000| |1.134637|1.180207|2.048418|1.705113|1.313452|0.037305|1.232825|1.240395|0.033162|1.860435|1.929738|1.573478|1.628846|1.822860|2.004588|1.908390|1.687337|2.347300|4.696926|3.211589|2.046827|2.778581|2.959632|3.618383|3.422077|5.629263|0.106396|5.689887|4.951687|5.632443|8.877500|17.709034|8.980951|1.191600|1.101484|1.057707|1.088776|1.175773|1.236361|0.029703|0.031481|0.032407|0.035525|0.032140|0.034858|0.038118|0.042534|0.051290|0.056079|0.044971|0.054565|0.057164|0.052390|0.073294|0.086019|0.082195|0.072260|0.080337|0.123858|0.215515|0.500000| |1.105908|1.154436|2.023862|1.652207|1.276792|0.036654|1.201015|1.191636|0.031745|1.771323|1.848916|1.507879|1.577555|1.774696|1.931459|1.809814|1.601108|2.275136|4.383693|3.262336|2.136949|2.909266|3.225051|4.283125|4.602807|9.113681|0.187433|8.820525|5.567352|4.881048|5.596966|8.900096|17.704478|1.145402|1.058857|1.018210|1.049676|1.133956|1.190542|0.029084|0.030416|0.031661|0.034104|0.031444|0.034185|0.035891|0.041428|0.050584|0.052617|0.042411|0.057252|0.061413|0.053885|0.079696|0.086092|0.085111|0.080997|0.106457|0.106286|0.123710|0.215107|0.500000| |2.968291|3.400145|5.773238|5.206556|3.994690|0.093071|5.279030|7.053729|0.226785|6.520502|5.215480|3.051648|2.590936|2.213785|2.133011|2.369172|2.854846|1.834515|3.118143|2.301063|1.719022|1.502982|1.437313|1.297872|1.205261|1.532719|0.029641|1.147916|1.252907|1.293806|1.213011|1.116873|1.088967|8.913874|17.692997|8.931066|5.651716|4.963906|5.653008|0.079425|0.086306|0.071587|0.101399|0.153404|0.127310|0.129266|0.071778|0.055941|0.061950|0.086639|0.046379|0.044903|0.052431|0.039866|0.041088|0.041684|0.039845|0.033119|0.038689|0.034140|0.029688|0.028522|0.500000| |2.163242|2.407484|4.232944|3.546997|2.777529|0.069076|3.459770|4.099674|0.114415|4.508218|3.728736|2.367969|2.054989|1.831397|1.814211|2.017156|2.333504|1.605569|2.764832|2.029564|1.512393|1.347110|1.313611|1.197138|1.119160|1.429970|0.027772|1.068965|1.158523|1.193086|1.125023|1.042369|1.017992|5.630195|8.918596|17.713247|8.914166|5.650242|4.955772|0.058973|0.061787|0.054061|0.069626|0.098319|0.093327|0.089870|0.056013|0.046703|0.054373|0.071508|0.040504|0.040181|0.045714|0.035711|0.036760|0.038238|0.036572|0.030808|0.035440|0.031649|0.027803|0.026773|0.215954|0.500000| |1.856456|2.087181|3.722218|3.097227|2.531908|0.064922|3.089775|3.541047|0.091074|4.237924|3.503013|2.335464|2.015847|1.839907|1.874423|2.119002|2.408953|1.676508|2.905916|2.114364|1.571869|1.407026|1.396251|1.269139|1.185179|1.510304|0.029302|1.127926|1.224779|1.259137|1.183315|1.095194|1.071123|4.927770|5.643746|8.912168|17.715100|8.900269|5.639375|0.050123|0.052228|0.047516|0.060716|0.083517|0.089430|0.082895|0.053649|0.046638|0.058491|0.075282|0.041475|0.042210|0.047618|0.037027|0.038189|0.041046|0.039048|0.032641|0.037429|0.033214|0.029143|0.028134|0.124226|0.214592|0.500000| |1.942494|2.239845|4.004146|3.413612|2.955590|0.076804|3.590128|4.082715|0.096723|5.262726|4.247811|2.930327|2.451315|2.250839|2.354611|2.760544|3.173804|2.076975|3.586494|2.581361|1.916236|1.691287|1.690594|1.509793|1.394410|1.757545|0.033849|1.313652|1.444832|1.486205|1.378016|1.262744|1.235309|5.635376|4.965352|5.653530|8.909901|17.711640|8.935439|0.051456|0.054093|0.050340|0.066560|0.090763|0.110871|0.098841|0.063258|0.055865|0.077209|0.103043|0.049583|0.051413|0.058987|0.043938|0.045550|0.050400|0.047405|0.038345|0.044632|0.038557|0.033324|0.032204|0.107702|0.124147|0.214642|0.500000| 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