Version2.1 2021-01-13T06:07:33Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 22-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(c(n(n1)c2ccccc2)C)[C@@H]3C(=O)NCC[NH+]3CC(=O)NCCC4=CCCCC4 C28721675 RHF 6-31G(d) (6D,7F) Cc1c(c(n(n1)c2ccccc2)C)[C@@H]3C(=O)NCC[NH+]3CC(=O)NCCC4=CCCCC4 C01[X(C25H34N5O2)] 192 C1 548 O=C(C[NH+]1CCNC(=O)[C@H]1c1c(C)nn(c1C)c1ccccc1)NCCC1=CCCCC1 O=C(C[NH+]1CCNC(=O)[C@H]1c1c(C)nn(c1C)c1ccccc1)NCCC1=CCCCC1 Cc1nn(c(C)c1[C@H]2[NH+](CCNC2=O)CC(=O)NCCC3=CCCCC3)c4ccccc4 InChIKey=IHBJXWRCUIODOG-XMMPIXPASA-O InChI=1S/C25H33N5O2/c1-18-23(19(2)30(28-18)21-11-7-4-8-12-21)24-25(32)27-15-16-29(24)17-22(31)26-14-13-20-9-5-3-6-10-20/h4,7-9,11-12,24H,3,5-6,10,13-17H2,1-2H3,(H,26,31)(H,27,32)/p+1/t24-/m1/s1 InChI=1/C25H33N5O2/c1-18-23(19(2)30(28-18)21-11-7-4-8-12-21)24-25(32)27-15-16-29(24)17-22(31)26-14-13-20-9-5-3-6-10-20/h4,7-9,11-12,24H,3,5-6,10,13-17H2,1-2H3,(H,26,31)(H,27,32)/p+1/t24-/m1/s1/fC25H34N5O2/h26-27,29H/q+1 Cc1c(c(n(n1)c2ccccc2)C)[C@@H]3C(=O)NCC[NH+]3CC(=O)NCCC4=CCCCC4 C01[X(C25H34N5O2)] 192 C01 548 O=C(C[NH+]1CCNC(=O)[C@H]1c1c(C)nn(c1C)c1ccccc1)NCCC1=CCCCC1 O=[C]([NH]CCC1=CCCCC1)C[NH]1CCNC(=O)[C@H]1[C]1[C]([N][N@@]([C]1C)[C]1[CH][CH][CH][CH][CH]1)C C[C]1[N]N([C]2[CH][CH][CH][CH][CH]2)[C](C)[C]1[C@H]3[NH](CCNC3=O)CC(=O)NCCC4=CCCCC4 InChIKey=SLEAMQWSQSHDCS-XMMPIXPASA-N InChI=1S/C25H34N5O2/c1-18-23(19(2)30(28-18)21-11-7-4-8-12-21)24-25(32)27-15-16-29(24)17-22(31)26-14-13-20-9-5-3-6-10-20/h4,7-9,11-12,24,29H,3,5-6,10,13-17H2,1-2H3,(H,26,31)(H,27,32)/t24-/m1/s1 InChI=1/C25H34N5O2/c1-18-23(19(2)30(28-18)21-11-7-4-8-12-21)24-25(32)27-15-16-29(24)17-22(31)26-14-13-20-9-5-3-6-10-20/h4,7-9,11-12,24,29H,3,5-6,10,13-17H2,1-2H3,(H,26,31)(H,27,32)/t24-/m1/s1/f/h26-27H 3186.0295491286 -1388.2896778 1-A 20985.0704 117 431 548 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1370.96 1399.61 1419.36 1448.30 1473.09 1492.92 1510.05 1517.61 1526.71 1546.50 1569.86 1579.86 1590.57 1591.60 1610.91 1615.63 1627.40 1636.06 1636.79 1655.73 1656.72 1674.27 1680.91 1690.29 1700.24 1714.43 1724.79 1746.53 1753.39 1755.67 1784.28 1815.82 1827.54 1830.39 1864.20 1899.23 1907.55 1927.21 1929.67 1936.49 1963.14 1995.70 2004.50 2026.21 2033.90 2049.66 2081.16 2086.22 2087.97 2097.02 2119.26 2124.83 2151.70 2175.10 2186.65 2196.48 2203.59 2207.33 2217.77 2226.31 2236.12 2254.42 2254.67 2259.64 2271.12 2311.25 2331.07 2337.10 2339.45 2341.28 2345.51 2345.80 2350.53 2352.25 2357.22 2358.93 2364.38 2365.47 2376.84 2379.50 2382.76 2402.03 2411.25 2437.15 2506.41 2542.34 2581.20 2600.30 2734.01 2769.52 2875.82 4572.34 4581.36 4595.01 4599.48 4604.53 4606.01 4623.95 4636.21 4642.45 4645.47 4661.15 4673.62 4674.22 4680.51 4707.43 4711.47 4716.73 4724.89 4732.83 4746.11 4773.55 4773.57 4777.19 4804.60 4810.34 4829.26 4852.31 4863.81 4876.56 4888.89 4897.69 5226.44 5523.22 5548.15 0.614544 0.643645 0.644589 0.548568 -1387.675134 -1387.646033 -1387.645088 -1387.741110 3.220594D-04 MUNgauss RevisionA2.0 retrievium 13-Jan-2021 DUDE Cc1c(c(n(n1)c2ccccc2)C)[C@@H]3C(=O)NCC[NH+]3CC(=O)NCCC4=CCCCC4 C28721675 RHF 6-31G(d) (6D,10F) C1 436.271251 |X|Y|Z| 74.949744 119.425663 33.242041 66.760333 28 6 7 23 5 |36.858105| |12.685677|36.858105| |7.196275|13.370261|36.858105| |5.152698|8.577427|13.833764|36.858105| |5.365612|9.009884|8.781210|14.233759|53.358707| |7.846452|14.721128|8.542257|8.556808|19.320681|53.358707| |3.968395|5.501067|5.330483|7.638087|18.139059|10.850198|36.858105| |3.309806|4.314798|4.373637|6.001487|10.642559|7.539770|13.766541|36.858105| |2.721423|3.338818|3.337381|4.241817|7.005300|5.607455|7.966965|13.746812|36.858105| |2.576893|3.089257|3.014625|3.708375|6.189550|5.211279|6.902751|7.934882|13.756254|36.858105| |2.858205|3.453099|3.282655|4.014120|7.022139|6.016899|7.971389|6.866751|7.935024|13.736142|36.858105| |3.561669|4.565476|4.250706|5.402574|10.687512|8.618741|13.754637|7.908360|6.863221|7.932425|13.768097|36.858105| |3.698387|5.144498|7.291193|12.706547|10.371829|7.093092|6.228317|5.766476|4.286966|3.663094|3.770604|4.665059|36.858105| |5.751689|7.246057|12.756443|7.436269|7.161035|7.053692|3.823486|3.384152|2.725638|2.478633|2.638169|3.220231|5.884778|36.858105| |4.381407|5.473433|8.968581|7.082019|6.548710|5.977830|3.677105|3.343123|2.718340|2.457751|2.582371|3.099519|6.752530|17.610356|0.500000| |5.238982|5.772366|7.541065|5.380593|5.811519|5.927825|3.291815|3.071383|2.512756|2.255017|2.340064|2.769233|4.569326|12.344420|0.252541|36.858105| |4.593281|5.267428|6.623804|5.394047|5.926069|5.834655|3.434285|3.338693|2.702451|2.364822|2.400230|2.810806|4.754960|8.130006|0.199982|16.006722|73.516695| |4.710443|4.574242|5.255116|3.977010|4.589666|4.835354|2.714158|2.540456|2.144907|1.960810|2.039224|2.368592|3.488541|7.648030|0.173146|14.124805|15.119301|53.358707| |4.484439|4.129943|4.574226|3.498958|4.119642|4.397823|2.469483|2.271751|1.950308|1.820340|1.918928|2.221884|3.088719|6.447634|0.149978|7.641659|9.449389|17.958083|36.858105| |4.282448|4.230763|5.014094|3.837658|4.365593|4.526320|2.599549|2.352817|2.016986|1.896535|2.019915|2.357446|3.447857|7.604774|0.187307|6.724288|8.474683|10.724870|12.588268|36.858105| |5.580704|5.956424|7.676005|5.231500|5.708719|5.953577|3.217935|2.808010|2.348952|2.207547|2.392143|2.882870|4.357118|12.520525|0.253538|7.454956|9.305468|9.266906|7.793665|12.746725|53.358707| |7.148905|6.747868|7.344143|4.920130|5.752494|6.433969|3.227186|2.772191|2.326291|2.208148|2.420266|2.935230|3.908064|9.129932|0.181258|6.527961|8.496235|8.571209|7.441960|9.419265|25.593502|0.500000| |4.480851|4.997585|6.249448|4.979339|5.509302|5.499578|3.212616|2.757313|2.343235|2.247040|2.474128|2.979638|4.397638|7.603523|0.202122|4.928086|7.014864|6.112232|5.040783|7.699210|17.439435|0.265968|36.858105| |4.271069|4.314324|4.653030|3.850870|4.669353|4.904394|2.828214|2.419101|2.106194|2.066910|2.305572|2.737824|3.372739|5.071182|0.129428|3.827698|5.622435|5.082703|4.421719|6.092065|10.642198|0.225976|12.436767|36.858105| |4.882942|4.471431|4.473356|3.585540|4.493700|4.959508|2.713644|2.327454|2.028547|1.990244|2.217148|2.626830|3.048739|4.810432|0.116191|3.860496|5.623309|5.334577|4.819035|6.088194|10.038335|0.258782|8.095456|15.783634|73.516695| |3.380075|3.470091|3.710282|3.302681|4.091950|4.186679|2.586492|2.230875|1.983283|1.975711|2.209954|2.571904|3.029547|3.904445|0.105246|3.079145|4.704572|4.082580|3.448838|4.497943|7.105224|0.144611|7.852461|14.371314|15.004826|53.358707| |2.979471|2.947156|3.003553|2.723075|3.507628|3.652635|2.280572|1.982650|1.795035|1.812767|2.031986|2.319238|2.501135|3.078254|0.082182|2.563059|3.996596|3.463901|2.917583|3.544446|5.301160|0.112719|4.982648|7.750999|11.879670|17.673602|36.858105| |2.931836|2.922844|2.882337|2.687479|3.587150|3.757593|2.381343|2.043220|1.868649|1.923691|2.197508|2.500832|2.447407|2.804157|0.074475|2.347253|3.736810|3.112900|2.533001|2.955872|4.565950|0.098778|4.140144|5.702028|9.337741|10.398467|12.435843|36.858105| |2.510942|2.448722|2.379786|2.236093|3.027603|3.189296|2.051638|1.790917|1.663180|1.721981|1.949726|2.167044|2.055454|2.324193|0.061799|2.015350|3.247954|2.710883|2.199867|2.482900|3.693956|0.080089|3.158975|4.084668|7.161222|6.764152|7.540497|12.583340|36.858105| |2.157906|2.135963|2.101087|2.011563|2.722267|2.818955|1.878312|1.659930|1.560526|1.623901|1.826151|1.993374|1.887563|2.057600|0.055542|1.801666|2.935856|2.418040|1.941181|2.179951|3.199489|0.068021|2.724597|3.339568|5.720134|5.529976|5.600739|7.695638|14.390663|36.858105| |1.897554|1.860163|1.818386|1.746349|2.378543|2.468930|1.658266|1.483980|1.408116|1.467214|1.634692|1.758366|1.646025|1.784691|0.048177|1.594823|2.620203|2.155913|1.722661|1.895497|2.734619|0.058158|2.259856|2.689703|4.719359|4.244556|4.018058|4.881748|7.593745|12.630465|36.858105| |1.935992|1.860545|1.787016|1.701766|2.340331|2.468076|1.628104|1.456698|1.381178|1.438329|1.602639|1.725314|1.583833|1.746080|0.046590|1.577455|2.593123|2.145986|1.716248|1.856094|2.671757|0.057660|2.156158|2.572865|4.671902|3.902426|3.632557|4.354195|6.636141|7.559406|12.451450|36.858105| |2.154322|2.028445|1.936951|1.810028|2.475315|2.644875|1.693638|1.509129|1.415428|1.460500|1.626091|1.773939|1.664625|1.909575|0.050421|1.726617|2.808513|2.374242|1.928767|2.083163|2.980203|0.065199|2.386535|2.937534|5.501291|4.398525|4.239053|4.877024|7.519357|6.707863|7.577615|12.470364|36.858105| |2.567202|2.413058|2.288130|2.117451|2.896713|3.123325|1.954960|1.713820|1.590316|1.640510|1.848626|2.052456|1.918498|2.235858|0.058495|1.980458|3.190063|2.702405|2.206480|2.421293|3.552648|0.078850|2.898528|3.730653|7.055257|5.643712|5.770367|7.384343|12.564245|7.665668|6.387352|7.572594|12.450954|36.858105| |17.520012|8.813044|6.182596|4.542360|6.257276|8.397310|3.530900|2.938188|2.473042|2.389029|2.680272|3.303537|3.406309|5.390495|0.116470|4.666913|7.030749|6.029044|4.607251|4.590906|8.219551|0.237516|5.006307|5.179020|11.402480|5.377340|3.498665|3.417522|2.884121|2.420024|2.103704|2.155624|2.442948|2.981889|0.500000| |17.623328|8.993117|5.479875|4.432546|6.782713|10.287710|3.919025|3.283454|2.745532|2.630705|2.931102|3.610921|3.289394|4.403364|0.099140|4.175596|6.895617|5.217805|3.646715|3.456229|5.779752|0.142648|3.635264|3.573776|7.192818|4.032788|2.702701|2.735285|2.399900|2.075281|1.847170|1.905914|2.107844|2.488404|0.302837|0.500000| |17.535274|8.851174|6.467450|4.614787|6.190525|8.099442|3.473517|3.037493|2.517511|2.349278|2.538323|3.071070|3.472736|5.921978|0.123377|6.181201|9.421615|7.934868|5.307165|4.611733|7.630562|0.194348|4.195232|3.918497|7.992814|4.228988|2.742727|2.631764|2.289045|1.987497|1.765922|1.802190|2.009795|2.351681|0.299780|0.302151|0.500000| |3.332314|4.339799|4.569676|6.210482|9.764134|7.129181|8.919590|17.729229|8.896069|5.641282|4.950215|5.636386|6.178761|3.606678|0.099692|3.379165|6.794251|3.732853|2.391997|2.446611|3.935252|0.078380|2.765373|2.386039|4.094365|2.962722|1.922203|1.947854|1.709920|1.583363|1.419228|1.394631|1.452946|1.643817|0.080988|0.090475|0.087395|0.500000| |2.439672|2.921565|2.955589|3.645862|5.678633|4.713850|5.662348|8.932561|17.730992|8.911425|5.643269|4.948029|3.802475|2.494069|0.069694|2.353556|4.556298|2.756662|1.833202|1.880813|2.927236|0.058858|2.129672|1.915700|3.287897|2.462058|1.643951|1.698008|1.524097|1.437824|1.306431|1.281911|1.312216|1.461821|0.061715|0.068277|0.063891|0.214884|0.500000| |2.259675|2.634672|2.577426|3.075615|4.926040|4.304290|4.968329|5.646148|8.921278|17.728870|8.913939|5.645919|3.087911|2.177655|0.060248|2.005426|3.733097|2.406633|1.651159|1.714948|2.675251|0.054591|2.004813|1.863735|3.196972|2.448225|1.668323|1.772957|1.606664|1.528825|1.393273|1.365870|1.377598|1.532667|0.058752|0.064281|0.057820|0.124074|0.214879|0.500000| |2.619388|3.058808|2.888046|3.394802|5.692549|5.155546|5.663319|4.949767|5.644808|8.908132|17.729920|8.938626|3.203887|2.377371|0.064608|2.114422|3.812526|2.549747|1.787198|1.884806|3.008063|0.062454|2.311421|2.201873|3.772083|2.916932|2.004196|2.203368|1.977802|1.866833|1.678901|1.646161|1.652976|1.871612|0.069543|0.075105|0.064650|0.107496|0.124088|0.214856|0.500000| |3.834961|4.830657|4.340271|5.185705|9.853632|8.995387|8.934357|5.641795|4.948893|5.635906|8.887784|17.740655|4.305957|3.285161|0.086527|2.769002|4.867373|3.264419|2.294396|2.459274|4.146546|0.087648|3.212664|3.029639|5.175121|3.887961|2.590287|2.859280|2.448198|2.226864|1.942708|1.908587|1.965416|2.309356|0.101598|0.108181|0.089276|0.124255|0.107474|0.123967|0.214438|0.500000| |3.398750|4.536988|6.068987|8.906198|8.604398|6.256469|5.546259|5.844268|4.357613|3.551303|3.479435|4.109004|17.575055|5.263668|0.167197|4.562045|9.103436|4.712083|2.969088|3.197387|5.232573|0.096446|3.704364|2.920214|4.800227|3.579841|2.215378|2.159488|1.848516|1.707872|1.507797|1.458295|1.531506|1.744349|0.085500|0.085250|0.091475|0.194795|0.111939|0.084184|0.082007|0.102826|0.500000| |3.288298|4.424101|5.574576|8.895427|9.627560|6.510864|6.876295|6.379835|4.896510|4.240598|4.368801|5.333571|17.618396|4.532104|0.139289|3.646745|6.690651|3.984888|2.664521|2.968129|4.993205|0.093821|3.872528|3.113212|4.984332|3.936681|2.428571|2.428690|2.047495|1.898807|1.656067|1.585013|1.647140|1.893465|0.085482|0.083610|0.084425|0.173617|0.117642|0.097967|0.101647|0.132453|0.301556|0.500000| |3.490347|4.620810|6.739984|8.906378|7.766601|5.975388|4.713398|4.351319|3.476984|3.087286|3.206618|3.856026|17.581625|6.389319|0.232621|4.714910|8.307251|4.964088|3.293832|3.841999|6.578313|0.114551|5.082480|3.689006|5.744711|4.523925|2.672360|2.552667|2.123131|1.952245|1.692038|1.614704|1.701763|1.962388|0.092098|0.084813|0.092378|0.127534|0.087748|0.074341|0.078258|0.103139|0.302451|0.302004|0.500000| |4.115683|3.939416|4.335148|3.471501|4.125097|4.340479|2.504205|2.391448|2.041082|1.859411|1.912717|2.190449|3.110224|5.643990|0.136430|9.604952|13.961054|25.964527|8.997283|5.743693|6.831991|0.133505|3.635417|3.135209|5.869970|3.536683|2.258110|2.051999|1.816301|1.633064|1.471558|1.471010|1.621249|1.822863|0.105967|0.097281|0.142482|0.072265|0.054111|0.046878|0.048890|0.061079|0.087908|0.073599|0.088879|0.500000| |5.056959|4.264019|4.374144|3.333546|4.069587|4.505540|2.443098|2.223219|1.916615|1.805296|1.918984|2.226073|2.865985|5.557846|0.125768|6.207403|8.200289|12.318971|17.538134|8.888070|9.447030|0.217345|4.710907|4.490362|9.413281|4.716630|3.013224|2.636993|2.308106|2.011870|1.790069|1.806330|2.055714|2.364361|0.149738|0.113741|0.171191|0.064327|0.049830|0.045518|0.049914|0.064536|0.075971|0.069802|0.083051|0.200246|0.500000| |3.604670|3.350277|3.669703|2.962935|3.536601|3.722436|2.178743|2.034655|1.772723|1.658738|1.735302|1.978087|2.706659|4.888409|0.122952|5.795058|7.948948|12.535921|17.612469|8.974212|7.675456|0.148279|4.159322|3.773965|7.195585|4.202769|2.675724|2.313112|2.045409|1.825333|1.636778|1.630014|1.828559|2.056887|0.102795|0.084982|0.115972|0.059541|0.046703|0.042151|0.045149|0.056466|0.073267|0.065825|0.080463|0.223862|0.302622|0.500000| |3.881219|3.717970|4.174202|3.326827|3.912674|4.093210|2.380416|2.145691|1.867139|1.780336|1.908630|2.209578|3.014409|5.568626|0.141677|4.914601|6.702323|7.723852|8.868260|17.663588|12.371097|0.224442|7.310616|6.949018|12.718609|6.968234|4.063113|3.231483|2.716151|2.363280|2.045675|2.001127|2.278178|2.656917|0.120751|0.089218|0.112994|0.061145|0.048356|0.045003|0.050040|0.064758|0.077187|0.074197|0.092658|0.126218|0.217731|0.211302|0.500000| |3.612616|3.742632|4.612525|3.729697|4.155510|4.151620|2.516493|2.317081|1.994681|1.863931|1.963826|2.269262|3.543698|7.066777|0.203931|6.387322|8.447986|9.563397|8.820169|17.608996|12.391251|0.182315|6.880928|5.137968|8.503837|5.593324|3.237498|2.717270|2.296998|2.054951|1.793893|1.738509|1.923941|2.206743|0.104226|0.083330|0.106864|0.067465|0.052043|0.046967|0.050795|0.064933|0.092386|0.084249|0.113482|0.150225|0.173461|0.215712|0.298970|0.500000| |3.632389|4.027159|5.067007|4.343273|4.779857|4.622482|2.892486|2.555070|2.201620|2.104376|2.281090|2.683462|4.179563|6.438279|0.196283|4.526743|6.590651|5.726203|4.716507|7.409627|12.320007|0.185111|17.619945|8.695010|10.779872|9.615640|4.603319|3.738607|2.926906|2.593336|2.167607|2.041792|2.236996|2.654276|0.109213|0.084527|0.097438|0.071767|0.056244|0.052630|0.059382|0.078901|0.099703|0.102938|0.140875|0.096288|0.117172|0.113696|0.198718|0.215383|0.500000| |4.617563|5.655256|7.406778|6.263973|6.719491|6.422452|3.824177|3.179059|2.660340|2.555588|2.856408|3.534000|5.394054|7.527470|0.205368|4.697645|7.012382|5.488428|4.203622|5.656229|12.390609|0.213450|17.634830|8.863140|11.395657|9.237942|4.572067|4.126281|3.118297|2.712081|2.241445|2.131189|2.318371|2.823067|0.138634|0.105280|0.115085|0.087234|0.066125|0.062510|0.073407|0.106842|0.118736|0.132714|0.172744|0.092790|0.110879|0.097643|0.145102|0.147252|0.299794|0.500000| |3.084908|3.284450|3.624114|3.345548|4.084756|4.043398|2.616112|2.269137|2.024872|2.017483|2.248945|2.601975|3.182725|3.808378|0.106989|2.979428|4.617934|3.877701|3.188551|4.165700|6.563907|0.126867|7.530888|9.496042|10.848296|26.021992|8.981662|6.481381|4.419407|3.843348|2.967587|2.668052|2.906656|3.599321|0.096718|0.075663|0.079157|0.061404|0.051345|0.051072|0.060527|0.079587|0.076045|0.085418|0.099047|0.068912|0.086724|0.080120|0.126645|0.111113|0.210851|0.194217|0.500000| |3.071916|2.924443|2.926459|2.596640|3.360006|3.570071|2.170973|1.898338|1.715917|1.724000|1.920873|2.189386|2.354861|3.039381|0.079618|2.589878|4.007055|3.583580|3.092969|3.684317|5.331019|0.116903|4.677266|7.416289|13.479379|12.581105|17.663981|8.772269|6.859357|4.994419|3.841300|3.668605|4.571418|6.269682|0.102123|0.077397|0.079477|0.051461|0.043822|0.044131|0.052498|0.067550|0.058660|0.062817|0.069368|0.065031|0.090897|0.079119|0.121009|0.091070|0.118438|0.115388|0.180712|0.500000| |2.569904|2.565706|2.652750|2.448285|3.139089|3.215712|2.073190|1.829643|1.672434|1.689185|1.874871|2.106847|2.307795|2.753795|0.075127|2.333466|3.674751|3.169251|2.656336|3.210111|4.622592|0.095489|4.274860|5.880635|9.011686|12.550740|17.609452|8.816808|6.827616|5.804455|4.192529|3.608115|4.080745|5.084279|0.081667|0.065306|0.066789|0.049421|0.042849|0.043504|0.051537|0.064504|0.057292|0.062625|0.068998|0.057957|0.075045|0.069107|0.102174|0.083860|0.116740|0.109223|0.224389|0.302884|0.500000| |2.745476|2.831053|2.844228|2.729953|3.638222|3.712431|2.453674|2.103668|1.936072|2.007875|2.304243|2.607084|2.536960|2.738947|0.074169|2.274202|3.659201|2.970476|2.373769|2.784042|4.336773|0.091338|4.021038|5.103216|7.904596|9.493940|8.877272|17.541790|8.883449|7.306361|4.641065|3.928669|4.074828|5.491667|0.086546|0.071329|0.068459|0.055316|0.048752|0.051467|0.064534|0.082893|0.061696|0.071120|0.073756|0.054508|0.067476|0.060363|0.082881|0.072651|0.103228|0.115662|0.188855|0.173386|0.213238|0.500000| |3.408394|3.363776|3.213689|2.962681|4.027489|4.326261|2.639912|2.223431|2.015541|2.078999|2.407395|2.790689|2.616876|3.036929|0.078905|2.520195|4.003415|3.313840|2.676678|3.086295|4.933344|0.110199|4.383318|6.063184|10.493576|9.581377|8.889781|17.517211|8.886284|5.826557|4.154859|3.984230|4.529670|7.025327|0.113005|0.088584|0.082748|0.058547|0.050448|0.052786|0.066889|0.090527|0.063767|0.071885|0.074671|0.060429|0.078485|0.066805|0.092225|0.077415|0.104961|0.124292|0.161716|0.210650|0.173875|0.302613|0.500000| |2.089529|2.108398|2.105835|2.041646|2.744933|2.796660|1.905462|1.687240|1.590670|1.657994|1.862807|2.025752|1.943176|2.063625|0.056394|1.793962|2.932816|2.388799|1.904990|2.161348|3.183856|0.066640|2.760066|3.305758|5.471956|5.619820|5.418574|7.161548|9.175698|17.648705|8.623277|5.463171|4.869474|5.498579|0.064416|0.055535|0.053509|0.044627|0.040714|0.043407|0.052942|0.062642|0.048652|0.054710|0.056158|0.044756|0.054190|0.049787|0.064657|0.057296|0.074051|0.077116|0.113543|0.126626|0.164082|0.224264|0.148485|0.500000| |1.785155|1.749180|1.725802|1.653669|2.232445|2.306644|1.553297|1.400667|1.328855|1.376174|1.519840|1.631367|1.570543|1.715498|0.046546|1.542276|2.531997|2.098368|1.684577|1.854868|2.634974|0.055630|2.171365|2.569602|4.493603|4.065036|3.823918|4.286879|6.094872|8.947571|17.490880|8.811582|6.562203|5.321192|0.054779|0.048035|0.046603|0.037422|0.034411|0.036362|0.043136|0.049607|0.040139|0.043733|0.045106|0.039876|0.048425|0.044831|0.055934|0.049037|0.058619|0.059170|0.079437|0.102762|0.115654|0.113523|0.100696|0.201721|0.500000| |1.781992|1.764093|1.726317|1.678054|2.297856|2.368068|1.621190|1.455913|1.392663|1.460797|1.627465|1.732594|1.592657|1.682267|0.045635|1.506012|2.492886|2.023029|1.599438|1.753603|2.540116|0.053722|2.094907|2.434772|4.235538|3.808288|3.446918|4.196925|5.815797|8.943096|17.533809|8.813944|5.526206|4.921695|0.054275|0.048446|0.046026|0.038529|0.035927|0.038735|0.046782|0.053051|0.040592|0.044859|0.045303|0.038481|0.045935|0.042231|0.052010|0.046419|0.056033|0.058410|0.075459|0.090137|0.099557|0.116966|0.102054|0.215565|0.304830|0.500000| |1.760850|1.689970|1.626961|1.552916|2.133984|2.244432|1.491516|1.346247|1.282265|1.333185|1.473886|1.574447|1.453584|1.597176|0.042738|1.458273|2.407860|1.992157|1.589197|1.703870|2.425693|0.052120|1.935720|2.271126|4.131377|3.401939|3.076715|3.514514|4.875158|5.531908|8.828417|17.556319|8.807314|5.501586|0.053970|0.048312|0.045928|0.035913|0.033226|0.035335|0.042052|0.047950|0.037425|0.040389|0.041138|0.038163|0.046381|0.042238|0.050911|0.044549|0.051325|0.053000|0.065179|0.087070|0.086166|0.089883|0.090442|0.122229|0.219860|0.205870|0.500000| |1.974825|1.900893|1.807014|1.731269|2.409001|2.550243|1.687709|1.504195|1.431558|1.501949|1.684612|1.807883|1.603478|1.741613|0.046326|1.572033|2.596571|2.123875|1.682814|1.810434|2.637401|0.057160|2.119777|2.503054|4.555331|3.743836|3.389774|4.216971|6.094076|6.584420|8.855296|17.518693|8.872393|6.951154|0.060857|0.054549|0.050660|0.039774|0.036798|0.039662|0.048424|0.055894|0.040975|0.044789|0.045058|0.040480|0.049279|0.044155|0.053665|0.047045|0.055308|0.058943|0.071380|0.094027|0.091134|0.107510|0.111866|0.139457|0.174199|0.220345|0.303280|0.500000| |2.060717|1.943141|1.879317|1.749705|2.365454|2.511092|1.612579|1.446157|1.354331|1.388498|1.534058|1.672461|1.621411|1.882252|0.049957|1.709090|2.770879|2.369764|1.943223|2.106889|2.959898|0.064221|2.371402|2.923498|5.446281|4.418302|4.301514|4.555233|6.583195|6.169080|6.950229|8.866855|17.512951|8.853883|0.064750|0.055482|0.054019|0.038901|0.035017|0.036403|0.043082|0.051045|0.041557|0.044378|0.046388|0.044981|0.057303|0.051642|0.064737|0.054260|0.062556|0.063091|0.081174|0.131696|0.119972|0.106580|0.113682|0.130006|0.195159|0.140073|0.211360|0.173914|0.500000| |2.129431|1.976571|1.866378|1.738711|2.393394|2.580244|1.639593|1.466022|1.376784|1.419201|1.575397|1.714085|1.590844|1.835364|0.048172|1.679887|2.741274|2.321513|1.880746|1.996298|2.842773|0.062648|2.228082|2.702629|5.167317|3.915356|3.604516|4.036350|5.510806|4.910057|5.502464|8.804121|17.551927|8.839087|0.066884|0.058506|0.055414|0.039274|0.035526|0.037243|0.044474|0.052578|0.040896|0.043611|0.044905|0.044296|0.056150|0.049634|0.060321|0.051017|0.057785|0.060124|0.071899|0.109915|0.095018|0.095249|0.109592|0.106721|0.137513|0.123392|0.213591|0.211445|0.303223|0.500000| 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