Version2.0 2020-01-23T07:50:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 08-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCOc1cccc(c1)[C@@H]2c3c(n[nH]c3C(=O)N2Cc4ccc(cc4)C)c5cc(cc(c5O)C)C C39912384 RHF 6-31G(d) (6D,7F) CCCOc1cccc(c1)[C@@H]2c3c(n[nH]c3C(=O)N2Cc4ccc(cc4)C)c5cc(cc(c5O)C)C C01[X(C30H31N3O3)] 195 C1 602 CCCOc1cccc(c1)[C@@H]1c2c(n[nH]c2C(=O)N1Cc1ccc(cc1)C)c1cc(C)cc(c1O)C CCCOc1cccc(c1)[C@@H]1c2c(n[nH]c2C(=O)N1Cc1ccc(cc1)C)c1cc(C)cc(c1O)C CCCOc1cccc(c1)[C@H]2N(Cc3ccc(C)cc3)C(=O)c4[nH]nc(c5cc(C)cc(C)c5O)c24 InChIKey=MKSLKZSSPAFSAP-MUUNZHRXSA-N InChI=1S/C30H31N3O3/c1-5-13-36-23-8-6-7-22(16-23)28-25-26(24-15-19(3)14-20(4)29(24)34)31-32-27(25)30(35)33(28)17-21-11-9-18(2)10-12-21/h6-12,14-16,28,34H,5,13,17H2,1-4H3,(H,31,32)/t28-/m1/s1 InChI=1/C30H31N3O3/c1-5-13-36-23-8-6-7-22(16-23)28-25-26(24-15-19(3)14-20(4)29(24)34)31-32-27(25)30(35)33(28)17-21-11-9-18(2)10-12-21/h6-12,14-16,28,34H,5,13,17H2,1-4H3,(H,31,32)/t28-/m1/s1/f/h32H CCCOc1cccc(c1)[C@@H]2c3c(n[nH]c3C(=O)N2Cc4ccc(cc4)C)c5cc(cc(c5O)C)C C01[X(C30H31N3O3)] 195 C01 602 CCCOc1cccc(c1)[C@@H]1c2c(n[nH]c2C(=O)N1Cc1ccc(cc1)C)c1cc(C)cc(c1O)C CCCOc1cccc(c1)[C@H]1N(Cc2ccc(cc2)C)C(=O)[C@H]2[C@@H]1[C@H](NN2)c1cc(C)cc(c1O)C CCCOc1cccc(c1)[C@@H]2[C@@H]3[C@@H](NN[C@@H]3c4cc(C)cc(C)c4O)C(=O)N2Cc5ccc(C)cc5 InChIKey=ODPKMQOMVAMCEC-KUXCXQDQSA-N InChI=1S/C30H35N3O3/c1-5-13-36-23-8-6-7-22(16-23)28-25-26(24-15-19(3)14-20(4)29(24)34)31-32-27(25)30(35)33(28)17-21-11-9-18(2)10-12-21/h6-12,14-16,25-28,31-32,34H,5,13,17H2,1-4H3/t25-,26+,27+,28+/m0/s1 InChI=1/C30H35N3O3/c1-5-13-36-23-8-6-7-22(16-23)28-25-26(24-15-19(3)14-20(4)29(24)34)31-32-27(25)30(35)33(28)17-21-11-9-18(2)10-12-21/h6-12,14-16,25-28,31-32,34H,5,13,17H2,1-4H3/t25-,26+,27+,28+/m0/s1 3759.2915865454 -1542.0422908 1-A 19908.8124 128 474 602 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3232.2134 3240.3787 3247.1908 3247.8779 3254.8648 3255.8477 3270.2748 3274.2559 3274.3937 3276.8281 3280.3606 3281.6416 3313.3760 3345.9331 3348.6200 3349.1237 3366.3700 3368.3035 3373.2588 3376.9054 3389.6097 3404.7837 3409.3640 3925.7016 3978.2729 4.5754 4.5386 4.2977 4.7795 3.2494 1.9288 1.6530 3.5945 4.8638 1.0615 4.9675 4.3510 2.6772 2.7016 4.4736 4.5636 4.4313 2.6386 1.2385 3.7030 3.7759 4.2478 3.4977 4.9762 1.2820 4.4763 3.7430 4.4713 4.7727 4.3327 4.2492 3.7782 2.7228 4.9662 4.0492 4.9372 4.3963 2.5524 5.2460 5.5503 2.9505 5.1678 1.5656 3.2191 3.4719 4.1289 4.3386 4.2101 3.0287 1.2371 3.1708 4.2923 7.0802 5.1580 4.4078 4.0125 6.5350 6.4459 4.6732 2.7624 3.5821 5.2134 3.2044 3.1065 1.1276 5.8928 5.3044 5.6030 6.1835 1.8742 3.0237 5.7788 2.7222 2.5273 1.2602 1.4284 1.5714 1.6545 1.5384 1.4073 1.7703 1.3428 3.9631 4.4403 2.5953 5.7904 1.4010 1.6301 1.6230 1.3242 1.6759 1.3646 2.6710 2.6909 1.4766 1.5341 1.5063 3.9922 2.8513 1.9967 1.7207 3.2466 2.8998 2.6355 2.6627 2.7900 3.2342 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723.93 730.07 739.38 750.14 775.21 793.21 813.71 847.95 863.47 905.55 909.05 943.17 948.73 969.31 987.03 1014.52 1029.90 1040.55 1105.37 1117.63 1133.62 1166.44 1184.21 1193.88 1203.07 1213.63 1218.34 1252.55 1280.61 1289.58 1302.18 1340.38 1349.35 1381.67 1409.86 1413.51 1418.32 1419.56 1447.27 1459.49 1474.34 1492.39 1509.42 1515.51 1555.53 1561.81 1578.65 1582.78 1591.97 1596.18 1600.25 1609.98 1612.38 1686.04 1689.54 1690.13 1697.55 1708.65 1720.69 1737.62 1771.20 1775.02 1798.32 1805.96 1809.01 1844.97 1858.49 1872.61 1875.60 1882.29 1887.82 1909.81 1917.39 1927.54 1942.63 1978.98 2006.69 2030.84 2053.81 2064.55 2069.30 2078.44 2085.12 2086.36 2116.03 2124.02 2152.42 2189.76 2200.53 2215.19 2255.02 2255.31 2255.93 2258.43 2264.22 2281.43 2282.24 2287.99 2336.18 2339.85 2340.22 2347.63 2350.20 2355.15 2357.59 2358.84 2361.65 2367.01 2376.78 2381.36 2394.28 2396.20 2417.62 2436.96 2477.11 2551.52 2553.84 2574.65 2596.46 2613.57 2627.55 2630.35 2839.43 4597.42 4600.22 4608.37 4608.52 4621.24 4634.24 4650.43 4662.18 4671.98 4672.97 4683.02 4684.44 4705.20 4710.92 4711.12 4714.62 4719.71 4721.55 4767.21 4814.05 4817.92 4818.64 4843.46 4846.24 4853.37 4858.61 4876.89 4898.72 4905.31 5648.21 5723.85 0.595082 0.626905 0.627849 0.525918 -1541.447209 -1541.415386 -1541.414442 -1541.516373 3.418782D-04 MUNgauss RevisionA2.0 retrievium 23-Jan-2020 DUDE CCCOc1cccc(c1)[C@@H]2c3c(n[nH]c3C(=O)N2Cc4ccc(cc4)C)c5cc(cc(c5O)C)C C39912384 RHF 6-31G(d) (6D,10F) C1 481.236542 |X|Y|Z| 98.214712 88.199676 49.834264 75.577153 27 6 7 24 3 |36.858105| |12.466384|36.858105| |7.537780|12.548191|36.858105| |5.099964|8.060683|13.548083|73.516695| |3.888184|5.223532|7.979663|25.144296|36.858105| |3.597826|4.392832|6.687720|13.992447|13.782606|36.858105| |2.850324|3.332450|4.493826|9.249022|7.960689|13.674019|36.858105| |2.517798|2.971345|3.776291|8.206690|6.843956|7.888393|13.846039|36.858105| |2.612144|3.194821|3.970381|9.408151|7.889064|6.832637|7.959205|13.648696|36.858105| |3.146610|4.086287|5.247055|14.598360|13.637286|7.931321|6.926104|7.949583|13.819019|36.858105| |2.225950|2.666537|3.107562|7.021895|5.008781|4.420024|5.016630|7.499163|12.516121|7.599522|36.858105| |2.268438|2.753776|3.121879|7.177600|4.822044|4.003710|4.209592|5.585029|8.933864|7.456100|17.569576|0.500000| |1.976057|2.305548|2.646123|5.691343|3.910886|3.684816|4.310298|6.133331|7.400381|5.162875|12.595247|0.245826|36.858105| |1.873741|2.155776|2.444312|5.116486|3.407455|3.274545|3.754592|4.861324|5.336187|4.191879|6.772031|0.163255|13.361848|36.858105| |1.667472|1.884644|2.112519|4.309677|2.814982|2.773236|3.197774|3.995978|4.125062|3.326711|5.099567|0.124665|8.568741|14.483890|53.358707| |1.622478|1.831968|2.055350|4.196206|2.754002|2.725111|3.186519|4.067313|4.165395|3.277980|5.412302|0.127787|8.739348|8.889502|19.472990|53.358707| |1.501513|1.678002|1.867640|3.757267|2.430920|2.427730|2.816531|3.470976|3.479826|2.824407|4.315600|0.105100|6.045622|6.191273|12.813586|26.108633|0.500000| |1.772099|2.030622|2.303358|4.814011|3.232203|3.143666|3.717158|5.062755|5.461187|4.027701|8.175182|0.174768|14.143393|8.684505|11.901399|19.503957|0.251072|36.858105| |1.783185|2.045953|2.317443|4.851165|3.246725|3.141952|3.683595|4.961573|5.408756|4.047985|7.961273|0.172985|8.136181|5.355195|7.102864|9.863715|0.171509|12.899549|36.858105| |1.637187|1.852572|2.073056|4.244203|2.772373|2.721332|3.145236|3.976468|4.140301|3.307499|5.366212|0.127745|5.449740|4.140702|5.826863|8.026700|0.158421|7.888602|15.901269|73.516695| |2.022992|2.372678|2.724290|5.909950|4.061474|3.773926|4.353552|6.130341|7.673709|5.440228|12.918146|0.253253|8.294591|5.123421|6.099650|7.295859|0.125239|8.553339|14.005978|14.731571|53.358707| |2.074308|2.435248|2.765697|5.963453|3.963715|3.630489|3.977984|5.050263|6.092389|5.066133|7.429151|0.187238|5.139659|3.712374|4.549843|5.242731|0.095730|5.239140|7.738035|11.747293|17.856765|36.858105| |2.047150|2.416955|2.643979|5.708171|3.563898|3.126041|3.229166|3.863370|4.808770|4.516642|5.907117|0.179989|4.318219|3.304961|4.051065|4.523027|0.083654|4.263182|5.568707|8.953466|10.437870|12.563730|36.858105| |2.274349|2.734788|2.932017|6.412940|3.815839|3.210593|3.144763|3.580869|4.496817|4.724673|4.940231|0.157709|3.647166|2.925674|3.536841|3.795815|0.070430|3.431437|4.094790|6.608065|7.364753|7.536509|13.773086|36.858105| |2.151122|2.555924|2.629913|5.588270|3.172499|2.690672|2.600285|2.884359|3.510835|3.758050|3.854722|0.125035|3.067472|2.574273|3.154724|3.337129|0.062753|2.904501|3.325435|5.512690|5.510382|5.000008|7.894621|13.698516|36.858105| |1.874186|2.180349|2.234905|4.648504|2.665101|2.321797|2.290924|2.561600|3.052398|3.136750|3.493847|0.112554|2.929238|2.496280|3.123720|3.330836|0.063397|2.851052|3.252200|5.528230|5.095677|4.399919|6.771213|7.889568|13.766212|36.858105| |1.741209|2.009530|2.100600|4.362504|2.578511|2.292269|2.326757|2.665251|3.153502|3.080365|3.806571|0.120458|3.255892|2.726504|3.469721|3.802047|0.072743|3.290182|3.880181|6.735183|5.881880|5.013961|7.902545|6.916240|7.997648|13.650372|36.858105| |1.803554|2.091559|2.243075|4.716986|2.885593|2.584958|2.687825|3.178315|3.800774|3.542324|4.824271|0.148348|3.966862|3.149731|3.992884|4.518784|0.085407|4.114163|5.277184|9.082331|8.290625|7.537465|13.659478|7.989198|6.906502|7.882540|13.814771|36.858105| |1.745495|1.999837|2.002113|4.066021|2.279360|2.005892|1.962598|2.149623|2.500883|2.598185|2.789138|0.088345|2.437831|2.154660|2.727678|2.864481|0.055166|2.374382|2.618483|4.507545|3.954157|3.261722|4.405372|5.001793|7.537082|12.608030|7.549206|5.015330|36.858105| |1.961205|2.256833|2.540509|5.277223|3.428349|3.258350|3.569960|4.287633|4.704281|4.065234|5.208984|0.137273|7.223207|12.886138|10.649964|7.297370|0.119782|5.220566|3.856870|5.613389|5.333116|3.081722|2.848199|2.643731|2.381719|2.291472|2.425210|2.699974|2.022376|36.858105| |2.239475|2.637906|2.972686|6.348208|4.074877|3.674583|3.807119|4.435695|5.209746|4.901940|5.363640|0.151264|6.154960|7.671914|7.041701|5.618009|0.095247|4.368413|3.526036|5.149953|5.220641|3.127791|2.959227|2.847466|2.572547|2.422810|2.494603|2.739343|2.138802|13.615224|36.858105| |2.300061|2.679309|2.946818|6.077228|3.686798|3.344438|3.316233|3.596898|4.039617|4.096742|3.948462|0.113317|4.262802|5.058920|5.335875|4.390791|0.077667|3.325032|2.813268|4.260662|4.133034|2.604158|2.514006|2.486227|2.303242|2.170482|2.191330|2.344838|1.963232|7.834825|13.851850|36.858105| |2.037340|2.299928|2.498457|4.950832|2.978842|2.821035|2.852739|3.046080|3.250507|3.206357|3.225683|0.090461|3.616761|4.483170|5.105950|4.119727|0.074521|2.977761|2.503947|3.872947|3.552399|2.253260|2.168044|2.123987|1.988078|1.903025|1.936339|2.059499|1.745316|6.873540|8.038682|13.646613|36.858105| |1.820709|2.032794|2.222066|4.380416|2.687298|2.609924|2.735913|2.978516|3.096959|2.920830|3.168368|0.086637|3.766058|5.017414|6.018466|4.619805|0.083975|3.182545|2.596240|4.033234|3.563730|2.223726|2.113068|2.027066|1.889452|1.831039|1.895708|2.032999|1.675568|7.852232|6.878150|7.840872|13.833305|36.858105| |1.792607|2.018029|2.237414|4.490083|2.835336|2.764893|3.000639|3.417334|3.555127|3.186501|3.793381|0.101000|4.915576|7.568723|8.912386|6.145715|0.107956|4.078963|3.138156|4.780325|4.212184|2.534207|2.366814|2.217204|2.036707|1.981582|2.089190|2.282954|1.785973|13.656528|7.935992|6.800273|7.962451|13.594362|36.858105| |1.608196|1.785892|1.970753|3.896281|2.453204|2.439227|2.689471|3.053127|3.081374|2.725052|3.336286|0.087486|4.377164|6.488259|9.616039|6.495901|0.119329|3.973318|3.040314|4.748005|3.913234|2.364988|2.195417|2.030382|1.871307|1.842901|1.966480|2.151443|1.669025|7.884922|5.205037|4.599054|5.312425|8.194126|14.183659|73.516695| |1.631521|1.785298|1.927071|3.709345|2.241916|2.212761|2.315845|2.469092|2.510692|2.382435|2.560595|0.069868|2.987511|3.789459|4.935065|3.938559|0.074264|2.659931|2.221192|3.538418|3.000655|1.909844|1.821886|1.750363|1.648276|1.610457|1.667108|1.771641|1.492681|5.014072|4.452646|4.987686|7.548357|12.626016|7.587150|12.432170|36.858105| |2.656046|3.153817|3.368343|6.935003|3.930412|3.414840|3.181690|3.307217|3.774941|4.185193|3.542615|0.104960|3.519734|3.808954|4.185098|3.640584|0.065560|2.826020|2.513649|3.860861|3.786954|2.487029|2.455503|2.516674|2.366012|2.193696|2.154630|2.264691|2.005618|4.984012|7.553814|12.604769|7.536083|5.001959|4.417321|5.991169|3.773185|36.858105| |17.537857|8.761691|6.812209|8.310766|3.726846|3.569265|2.847812|2.488955|2.541015|3.009668|2.161001|0.060676|1.949702|1.873695|2.272025|2.193249|0.041441|1.745083|1.735851|2.829648|2.655555|1.969615|1.924392|2.101809|1.981343|1.747704|1.642025|1.707581|1.628668|1.983300|2.263243|2.358800|2.110009|1.878073|1.830639|2.915929|1.690452|2.728684|0.500000| |17.537282|8.761202|6.811635|8.310805|3.723535|3.567702|2.845539|2.485791|2.536963|3.005710|2.158003|0.060487|1.911061|1.798828|2.195336|2.155095|0.040867|1.732361|1.760863|2.893923|2.714541|2.068380|2.025560|2.245407|2.110164|1.835563|1.709919|1.778423|1.704730|1.857478|2.089109|2.113926|1.886409|1.709628|1.698821|2.734527|1.539449|2.381298|0.301447|0.500000| |17.566921|8.800026|5.492424|7.487651|3.298928|3.026010|2.477777|2.240456|2.345640|2.790526|2.047108|0.058499|1.829696|1.742888|2.123527|2.066746|0.039187|1.650265|1.661396|2.726709|2.548515|1.925406|1.928588|2.151886|2.074950|1.820180|1.679144|1.718302|1.719062|1.826188|2.078033|2.148171|1.917591|1.714468|1.680282|2.689537|1.547126|2.491340|0.302059|0.302054|0.500000| |8.824049|17.551985|8.947269|13.133319|4.929532|4.045313|3.154764|2.884932|3.162004|4.055155|2.684843|0.078199|2.346388|2.223418|2.627502|2.525076|0.047056|2.044849|2.031897|3.253716|3.193436|2.368654|2.377775|2.679862|2.539810|2.188561|2.015232|2.081723|2.022188|2.372249|2.829241|2.943944|2.500570|2.168046|2.124372|3.306309|1.893769|3.615421|0.210012|0.172501|0.211949|0.500000| |8.824235|17.551014|8.946160|13.133781|4.921957|4.043043|3.151686|2.880039|3.154268|4.045583|2.679148|0.077798|2.280347|2.102012|2.511588|2.467714|0.046226|2.024601|2.072063|3.351844|3.296858|2.545210|2.575597|2.996091|2.827640|2.367655|2.143947|2.213199|2.172537|2.166420|2.510990|2.506760|2.151893|1.921037|1.926762|3.050098|1.689415|2.907853|0.172507|0.210006|0.211954|0.303473|0.500000| |6.857314|8.839100|17.531929|16.525939|7.080714|6.774445|4.590093|3.745073|3.793803|4.776876|2.972062|0.081515|2.525266|2.307858|2.753152|2.716419|0.050710|2.241619|2.294065|3.687798|3.661523|2.787588|2.626361|2.902063|2.576646|2.184920|2.061190|2.214587|1.951074|2.348252|2.672099|2.604077|2.249382|2.042224|2.078660|3.305291|1.789974|2.875633|0.168326|0.202960|0.140353|0.174182|0.213122|0.500000| |6.855517|8.838414|17.534545|16.529036|7.104859|6.785578|4.599937|3.756281|3.807898|4.793638|2.980262|0.081990|2.616934|2.473286|2.909689|2.794400|0.051825|2.269628|2.239651|3.557505|3.520588|2.558770|2.416210|2.610105|2.351828|2.040906|1.945314|2.082043|1.839278|2.620272|3.070487|3.111109|2.662034|2.350370|2.336218|3.642420|2.041503|3.562475|0.202912|0.168266|0.140332|0.213158|0.174168|0.300911|0.500000| |3.995933|4.659469|7.385142|12.455354|8.878127|17.765765|8.920369|5.641981|4.935052|5.628072|3.539525|0.091034|3.068459|2.808167|3.316121|3.250961|0.060037|2.688511|2.688943|4.241775|4.261217|3.069464|2.704629|2.804707|2.410885|2.096193|2.055535|2.280684|1.841666|2.836447|3.165403|2.991799|2.590814|2.394590|2.485681|3.943814|2.072176|3.109322|0.112407|0.112461|0.090848|0.115164|0.115221|0.225509|0.225051|0.500000| |2.645751|2.974539|3.895609|7.456024|5.666579|8.937101|17.715049|8.963851|5.653554|4.979340|4.085177|0.096491|3.735777|3.373289|4.063501|4.064876|0.074807|3.369858|3.330692|5.210990|5.085751|3.448251|2.820988|2.726440|2.297639|2.055329|2.097982|2.405282|1.782786|3.212259|3.313439|2.954711|2.632861|2.569942|2.801434|4.573008|2.225537|2.812757|0.074379|0.074335|0.064156|0.077894|0.077844|0.113308|0.113464|0.216889|0.500000| |2.211705|2.546402|3.123548|6.511926|4.938242|5.625199|8.943283|17.734132|8.868602|5.649612|6.933866|0.139929|6.574808|5.205863|6.111953|6.457421|0.112214|5.904965|5.654871|8.026946|8.598597|4.915881|3.672603|3.274754|2.672895|2.434941|2.591986|3.122278|2.051969|4.302895|4.129068|3.330483|2.920210|2.959540|3.490151|5.738542|2.485251|2.972809|0.061021|0.060939|0.055336|0.069006|0.068888|0.086773|0.087018|0.124275|0.215927|0.500000| |3.120542|4.128611|4.885413|13.581700|8.965648|5.666284|4.980054|5.634524|8.892909|17.718963|7.018290|0.229275|4.816631|3.968587|4.310036|4.235750|0.074899|3.791200|3.831431|5.628014|6.964168|4.927966|4.858764|5.404279|4.380650|3.568933|3.405639|3.818179|2.934000|3.908229|4.840440|4.116926|3.177360|2.853456|3.076337|4.659630|2.329373|4.375354|0.081669|0.081580|0.078517|0.117444|0.117184|0.120571|0.120879|0.124262|0.107981|0.123768|0.500000| |2.295890|2.722228|3.166560|6.909944|4.717140|4.316756|4.672700|5.777847|6.864693|5.922003|6.840217|0.169844|4.649152|3.470099|4.188738|4.665260|0.085289|4.490201|5.908556|9.085304|12.528037|17.594998|8.886873|7.287662|4.761454|3.958487|4.185921|5.586117|3.023625|2.978688|3.094607|2.612470|2.246143|2.189454|2.460172|4.043791|1.880191|2.538597|0.060170|0.064096|0.058524|0.072285|0.079356|0.090208|0.080135|0.099710|0.109836|0.146937|0.152275|0.500000| |1.896886|2.181546|2.457094|5.121798|3.346685|3.193566|3.553105|4.363202|4.780373|4.020955|5.584553|0.139358|4.421591|3.334763|4.267796|5.052970|0.095463|4.870105|7.595273|13.773140|12.716516|17.631563|8.875655|5.836074|4.280232|3.960781|4.641818|6.833955|3.027446|2.761789|2.736925|2.314547|2.046833|2.046254|2.329586|3.948895|1.785849|2.199399|0.050220|0.052968|0.049109|0.058680|0.063170|0.069657|0.063731|0.076956|0.088980|0.124273|0.107450|0.302939|0.500000| |2.571571|3.155088|3.437728|7.693020|4.551750|3.722246|3.531608|3.916613|4.931311|5.533873|4.899159|0.150804|3.547892|2.866215|3.427028|3.629274|0.067110|3.264555|3.813728|6.089420|6.959839|6.979659|8.928782|17.696856|8.923488|5.634304|4.972901|5.660493|4.086778|2.632226|2.881829|2.537867|2.152724|2.034630|2.207351|3.567860|1.753433|2.608762|0.065258|0.070912|0.066805|0.084256|0.097523|0.095518|0.082876|0.089685|0.083708|0.096219|0.174349|0.223458|0.149925|0.500000| |2.286854|2.727169|2.729368|5.732844|3.128992|2.631726|2.481904|2.679042|3.214939|3.573166|3.373074|0.108033|2.731273|2.346963|2.872324|2.991704|0.056436|2.557743|2.853281|4.738142|4.657163|4.087043|5.637352|8.926083|17.701800|8.929179|5.663883|4.968272|6.972028|2.221529|2.431465|2.224105|1.921715|1.807623|1.919782|3.124420|1.584295|2.335523|0.057797|0.062188|0.061878|0.075219|0.085675|0.074089|0.066966|0.066433|0.061121|0.068300|0.116600|0.113533|0.099052|0.216588|0.500000| |1.591573|1.814530|1.885827|3.857729|2.272206|2.049638|2.091723|2.380434|2.754730|2.668748|3.311082|0.102704|2.974649|2.559622|3.327995|3.649861|0.071008|3.065642|3.531732|6.298899|5.061855|4.094860|5.634790|4.972487|5.669451|8.896348|17.692055|8.962729|7.015098|2.283253|2.314678|2.050524|1.838922|1.816014|1.998386|3.383745|1.613385|2.002427|0.041927|0.043397|0.042834|0.050744|0.053397|0.051373|0.048983|0.051515|0.053017|0.065172|0.080886|0.096289|0.109627|0.107829|0.124271|0.500000| |1.678445|1.924835|2.077245|4.314424|2.672635|2.454303|2.611978|3.123206|3.619624|3.245901|4.705791|0.136948|4.130235|3.277628|4.288419|5.039171|0.096817|4.585123|6.175573|11.428033|8.565059|7.007615|8.900308|5.667589|4.968313|5.623623|8.946984|17.702789|4.094929|2.733370|2.689696|2.286355|2.036435|2.044801|2.326900|3.965877|1.791728|2.164937|0.044516|0.046054|0.044360|0.053243|0.055917|0.057117|0.054258|0.060324|0.065789|0.087936|0.094317|0.140883|0.196805|0.124269|0.107765|0.216728|0.500000| |1.615940|1.826788|1.832716|3.669835|2.067629|1.850378|1.823915|1.988654|2.268988|2.325285|2.517174|0.077769|2.234322|1.985187|2.549709|2.698792|0.052567|2.216581|2.463200|4.334790|3.641902|3.019946|3.952546|4.291833|5.875788|8.839743|6.711328|4.596752|17.543113|1.854237|1.935788|1.781586|1.602227|1.550697|1.653770|2.776541|1.393958|1.807351|0.041991|0.044140|0.044252|0.050970|0.054932|0.050059|0.046986|0.047505|0.046473|0.053255|0.071390|0.077640|0.080222|0.099492|0.151853|0.190877|0.108420|0.500000| |1.680028|1.920718|1.919473|3.895562|2.186359|1.926394|1.891079|2.078861|2.421052|2.501748|2.734746|0.087386|2.443849|2.192471|2.782006|2.896479|0.055806|2.372240|2.559130|4.380338|3.803530|3.018906|3.951938|4.289845|5.871051|8.838327|6.711716|4.595791|17.542831|2.071546|2.187184|2.014732|1.797446|1.726960|1.837109|3.051472|1.539774|2.051573|0.043845|0.045270|0.046059|0.054551|0.057352|0.051507|0.049437|0.049126|0.047785|0.055354|0.078679|0.077209|0.077692|0.099433|0.151690|0.190757|0.108322|0.302309|0.500000| |1.836679|2.106480|2.073244|4.184828|2.297591|2.007940|1.934424|2.087134|2.421944|2.576038|2.625501|0.082933|2.282651|2.033755|2.557568|2.656881|0.051057|2.193877|2.393683|4.091038|3.650092|3.012008|3.942917|4.734737|7.228660|8.835798|5.564644|4.166910|17.578619|1.937681|2.075324|1.930121|1.712131|1.628322|1.717456|2.838097|1.452625|2.005347|0.047238|0.049749|0.050624|0.059191|0.064334|0.056030|0.052511|0.051566|0.048786|0.054805|0.081358|0.079894|0.077185|0.112948|0.221468|0.140516|0.095933|0.301796|0.301780|0.500000| |2.417086|2.923290|3.334909|7.487926|4.922587|4.180328|4.252466|5.117861|6.731303|6.497662|6.904262|0.205247|6.959690|7.157400|6.537403|5.597496|0.094215|4.673697|3.909114|5.583538|6.140835|3.656119|3.470654|3.367299|2.981446|2.750558|2.811539|3.123395|2.378996|8.926946|17.759191|9.017156|5.696881|4.957939|5.654291|7.461067|3.560067|7.033687|0.066898|0.062626|0.061974|0.086847|0.078112|0.082711|0.093425|0.096856|0.098805|0.126173|0.183154|0.101163|0.086127|0.095368|0.077795|0.071051|0.083577|0.059153|0.067073|0.064165|0.500000| |2.019685|2.248176|2.398503|4.644139|2.721938|2.587289|2.568320|2.672760|2.824197|2.850131|2.766607|0.078078|3.012741|3.576484|4.226232|3.520667|0.064858|2.549932|2.198789|3.452868|3.122069|2.023830|1.964420|1.946742|1.842614|1.764617|1.779034|1.870863|1.638207|4.949664|5.692490|8.911304|17.683656|9.003726|5.661216|7.629559|7.027568|7.015448|0.058599|0.051651|0.053185|0.068455|0.058079|0.059830|0.071507|0.067357|0.066575|0.070950|0.078983|0.056349|0.051400|0.054986|0.049970|0.047103|0.051193|0.041892|0.046885|0.044943|0.124965|0.500000| |1.583896|1.763749|1.954362|3.888892|2.474191|2.464823|2.764118|3.215137|3.236523|2.788364|3.615660|0.093130|4.991123|7.716180|13.771851|8.317810|0.151427|4.709739|3.451291|5.365054|4.306172|2.550497|2.341588|2.128845|1.947825|1.927370|2.084493|2.308472|1.731319|7.701068|4.943007|4.135769|4.441779|6.061162|10.011742|35.533112|5.183257|3.121293|0.044610|0.042304|0.041345|0.050667|0.047382|0.051589|0.055961|0.061782|0.073388|0.096723|0.074216|0.067304|0.066915|0.058057|0.050358|0.056121|0.067372|0.045106|0.049370|0.045684|0.115774|0.101311|0.500000| |1.518318|1.659523|1.777621|3.429137|2.065057|2.026291|2.125200|2.288117|2.345368|2.216074|2.447985|0.067252|2.877801|3.645328|4.925051|3.941426|0.075330|2.615771|2.182954|3.506317|2.911113|1.854941|1.783142|1.703923|1.615625|1.595723|1.661734|1.757082|1.486399|4.600706|3.990323|4.280166|5.880980|8.851471|6.761145|12.517835|17.563341|3.335726|0.043415|0.039925|0.040207|0.048778|0.044003|0.046107|0.051753|0.052645|0.056723|0.064476|0.060765|0.050236|0.048436|0.046991|0.043000|0.045040|0.049652|0.038660|0.042832|0.040002|0.090823|0.152632|0.147212|0.500000| |1.591254|1.728548|1.881114|3.590262|2.188533|2.203638|2.338122|2.474981|2.453888|2.301279|2.475120|0.066362|2.898490|3.650926|4.885999|3.928604|0.074837|2.624325|2.193369|3.514695|2.937262|1.869549|1.761780|1.684882|1.576903|1.537392|1.596560|1.707574|1.420989|4.604203|3.990328|4.278468|5.879456|8.849540|6.760375|12.510640|17.562752|3.331501|0.045944|0.041968|0.041755|0.050462|0.045357|0.048943|0.055619|0.057642|0.063387|0.070106|0.061607|0.051304|0.048923|0.047047|0.042059|0.042903|0.048202|0.037040|0.040486|0.038397|0.090829|0.152598|0.146090|0.303516|0.500000| |1.643171|1.785499|1.906701|3.628900|2.157189|2.121762|2.180451|2.282909|2.328117|2.257853|2.339624|0.064497|2.646519|3.225629|4.146332|3.419772|0.064814|2.358184|2.014042|3.227511|2.752831|1.780065|1.712063|1.664294|1.578475|1.538088|1.576692|1.661098|1.436604|4.167910|3.987795|4.740755|7.261043|8.877079|5.584374|8.925845|17.575063|3.811090|0.047560|0.042851|0.043469|0.052963|0.046710|0.048966|0.056401|0.055803|0.058268|0.063014|0.061704|0.048996|0.046212|0.046504|0.042482|0.042374|0.046329|0.037257|0.041171|0.039075|0.090751|0.224524|0.111586|0.300825|0.300855|0.500000| |2.485884|2.916473|2.996538|6.076362|3.354815|2.916003|2.728328|2.850075|3.260886|3.597473|3.176724|0.096186|3.160974|3.407394|3.848924|3.377647|0.061492|2.600365|2.335181|3.629065|3.485825|2.319504|2.342666|2.416752|2.326309|2.184040|2.130392|2.197796|2.030115|4.322441|6.002170|8.821142|6.520765|4.530075|3.962035|5.535844|3.574751|17.527669|0.070355|0.061846|0.066089|0.093559|0.075971|0.071824|0.086291|0.074648|0.067778|0.072257|0.107780|0.065066|0.057307|0.068701|0.064191|0.055433|0.058213|0.050670|0.058335|0.056567|0.157703|0.181613|0.080235|0.090372|0.086156|0.102187|0.500000| |2.786723|3.236994|3.445141|6.758404|3.759480|3.376645|3.100127|3.102268|3.395107|3.767494|3.096495|0.089395|3.076165|3.319268|3.755094|3.294302|0.060052|2.533319|2.276646|3.540485|3.402806|2.264771|2.215169|2.277556|2.142523|1.982347|1.942063|2.039349|1.825636|4.232782|5.778989|8.832416|6.853652|4.634384|3.957055|5.532881|3.682944|17.545242|0.081479|0.068774|0.072352|0.103830|0.080808|0.081174|0.104915|0.087955|0.077499|0.077619|0.106018|0.064900|0.056277|0.066205|0.059220|0.050303|0.054336|0.046087|0.051558|0.050979|0.148714|0.199593|0.079484|0.088680|0.092038|0.106745|0.302295|0.500000| 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