Version2.4 2021-06-06T21:17:50Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 19-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)CN1C(=O)C(=C(C1=O)N2CCCCC2)c3c(nn(c3[O-])Cc4ccccc4)c5ccccc5 C35621267 RHF 6-31G(d) (6D,7F) CC(C)CN1C(=O)C(=C(C1=O)N2CCCCC2)c3c(nn(c3[O-])Cc4ccccc4)c5ccccc5 C01[X(C29H31N4O3)] 195 C1 602 CC(CN1C(=O)C(=C(C1=O)c1c(nn(c1[O-])Cc1ccccc1)c1ccccc1)N1CCCCC1)C CC(CN1C(=O)C(=C(C1=O)c1c(nn(c1[O-])Cc1ccccc1)c1ccccc1)N1CCCCC1)C CC(C)CN1C(=O)C(=C(C1=O)c2c([O-])n(Cc3ccccc3)nc2c4ccccc4)N5CCCCC5 InChIKey=SQZHOZVVALCIEM-UHFFFAOYSA-M InChI=1S/C29H32N4O3/c1-20(2)18-32-27(34)24(26(29(32)36)31-16-10-5-11-17-31)23-25(22-14-8-4-9-15-22)30-33(28(23)35)19-21-12-6-3-7-13-21/h3-4,6-9,12-15,20,35H,5,10-11,16-19H2,1-2H3/p-1 InChI=1/C29H32N4O3/c1-20(2)18-32-27(34)24(26(29(32)36)31-16-10-5-11-17-31)23-25(22-14-8-4-9-15-22)30-33(28(23)35)19-21-12-6-3-7-13-21/h3-4,6-9,12-15,20,35H,5,10-11,16-19H2,1-2H3/p-1/fC29H31N4O3/h35h/q-1 CC(C)CN1C(=O)C(=C(C1=O)N2CCCCC2)c3c(nn(c3[O-])Cc4ccccc4)c5ccccc5 C01[X(C29H31N4O3)] 195 C01 602 CC(CN1C(=O)C(=C(C1=O)c1c(nn(c1[O-])Cc1ccccc1)c1ccccc1)N1CCCCC1)C CC(CN1C(=O)C(=C(C1=O)[C]1[C]([O])N([N][C]1[C]1[CH][CH][CH][CH][CH]1)C[C]1[CH][CH][CH][CH][CH]1)N1CCCCC1)C CC(C)CN1C(=O)C(=C(N2CCCCC2)C1=O)[C]3[C]([O])N(C[C]4[CH][CH][CH][CH][CH]4)[N][C]3[C]5[CH][CH][CH][CH][CH]5 InChIKey=IENXUANDYKKWTA-UHFFFAOYSA-N InChI=1S/C29H31N4O3/c1-20(2)18-32-27(34)24(26(29(32)36)31-16-10-5-11-17-31)23-25(22-14-8-4-9-15-22)30-33(28(23)35)19-21-12-6-3-7-13-21/h3-4,6-9,12-15,20H,5,10-11,16-19H2,1-2H3 InChI=1/C29H31N4O3/c1-20(2)18-32-27(34)24(26(29(32)36)31-16-10-5-11-17-31)23-25(22-14-8-4-9-15-22)30-33(28(23)35)19-21-12-6-3-7-13-21/h3-4,6-9,12-15,20H,5,10-11,16-19H2,1-2H3 3879.7100865684 -1558.6790728 1-A 18649.2133 129 473 602 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 16.5327 21.0326 21.7268 28.3155 33.8818 38.9252 40.0729 48.0140 53.4935 61.7059 73.0639 75.1992 97.8250 104.6354 124.6478 145.9182 164.2391 179.2847 198.5391 215.5690 230.7999 238.5741 252.1256 259.0047 268.5484 283.3357 285.8787 293.3749 318.4289 325.5044 330.5518 353.7001 367.3856 400.7945 422.3990 426.5214 435.3255 438.7848 451.2044 457.9054 459.6613 461.7348 493.8174 517.7324 522.4970 563.9257 584.2441 600.9325 642.2438 678.3963 680.1462 686.9873 702.3545 727.6604 730.3427 760.8176 771.5282 777.8080 789.4966 833.3063 837.0042 846.1892 858.0078 859.9839 868.0118 878.0742 882.0475 890.6187 897.3536 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3195.4043 3197.0597 3213.0885 3223.8674 3233.1357 3238.4957 3242.2005 3242.7595 3245.2212 3254.1407 3258.0061 3280.3631 3291.2374 3298.1306 3327.3592 3331.7025 3332.7049 3342.8894 3344.9406 3347.0202 3356.9183 3363.9254 3368.2374 3387.9241 3391.7924 3404.7534 5.0824 4.9164 4.9883 4.1131 3.8749 3.9376 3.5848 3.0610 3.6987 4.9137 4.1733 5.5657 5.6740 5.1536 5.6703 8.1768 6.1565 4.9383 4.1638 4.4711 1.1902 4.6090 1.5444 2.3764 2.4465 5.2006 2.8969 3.4230 3.3257 3.8343 3.5905 2.6678 4.0382 5.1104 2.8431 5.6683 3.0209 2.4012 2.5661 3.0061 3.0577 4.2478 2.9323 3.2452 3.1783 3.8539 3.4319 7.0686 4.6438 6.3545 6.2652 4.3548 5.2712 6.6793 5.6778 5.2866 4.9138 1.8911 1.7761 5.6360 3.1666 3.5658 3.3308 6.9122 3.9895 3.0689 3.6308 3.3843 1.5484 7.1107 2.8661 1.4584 1.2514 1.2812 2.4258 3.0448 2.2407 1.2883 1.6817 1.8318 1.4672 1.4991 1.9051 1.2605 2.5180 5.1499 5.6679 1.3725 1.3523 1.6899 2.9330 2.2688 2.1836 2.2190 1.3512 1.6803 2.2620 1.6569 1.7449 3.2676 2.5981 2.2522 2.1882 3.0464 2.6276 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1 1 1 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 14035.8554 23684.1247 27874.3410 0.99998 0.00628 0.00085 -0.00631 0.99932 0.03619 -0.00062 -0.03620 0.99934 1 0.00617 0.00366 0.00311 0.12858 0.07620 0.06475 23.79 30.26 31.26 40.74 48.75 56.00 57.66 69.08 76.97 88.78 105.12 108.19 140.75 150.55 179.34 209.94 236.30 257.95 285.65 310.16 332.07 343.25 362.75 372.65 386.38 407.66 411.32 422.10 458.15 468.33 475.59 508.90 528.59 576.65 607.74 613.67 626.34 631.31 649.18 658.82 661.35 664.33 710.49 744.90 751.76 811.36 840.60 864.61 924.05 976.06 978.58 988.42 1010.53 1046.94 1050.80 1094.65 1110.06 1119.09 1135.91 1198.94 1204.26 1217.48 1234.48 1237.33 1248.88 1263.35 1269.07 1281.40 1291.09 1311.60 1335.37 1362.33 1374.94 1383.94 1393.33 1411.04 1431.61 1457.98 1468.54 1482.19 1494.09 1507.01 1524.18 1530.46 1559.62 1565.12 1565.68 1577.10 1578.11 1595.78 1597.80 1627.46 1628.19 1631.10 1636.55 1659.90 1681.21 1697.77 1700.45 1732.55 1743.79 1751.24 1783.28 1801.20 1810.63 1829.09 1833.14 1844.94 1852.29 1866.12 1872.07 1875.05 1894.76 1913.92 1929.90 1936.56 1949.28 2003.62 2018.70 2059.15 2078.11 2107.21 2112.55 2114.00 2128.02 2145.91 2151.55 2180.37 2187.77 2190.91 2197.51 2207.37 2219.36 2225.08 2234.40 2242.57 2262.91 2280.46 2286.56 2293.92 2314.41 2327.22 2336.62 2339.69 2341.81 2347.95 2352.81 2362.45 2368.03 2371.97 2379.66 2383.19 2402.78 2408.27 2411.72 2461.25 2561.72 2562.15 2569.69 2605.72 2607.20 2662.19 2823.78 2937.45 4472.99 4537.67 4564.84 4584.84 4593.31 4597.47 4599.86 4622.92 4638.43 4651.76 4659.47 4664.80 4665.61 4669.15 4681.98 4687.54 4719.71 4735.36 4745.27 4787.33 4793.58 4795.02 4809.67 4812.62 4815.62 4829.86 4839.94 4846.14 4874.47 4880.03 4898.68 0.596174 0.626637 0.627581 0.529851 -1558.082899 -1558.052436 -1558.051492 -1558.149221 3.277847D-04 MUNgauss RevisionA2.1 retrievium 06-Jun-2021 DUDE CC(C)CN1C(=O)C(=C(C1=O)N2CCCCC2)c3c(nn(c3[O-])Cc4ccccc4)c5ccccc5 C35621267 RHF 6-31G(d) (6D,10F) C1 483.239616 |X|Y|Z| 102.217008 72.872172 53.763550 73.709637 29 6 7 25 4 |36.858105| |12.451208|36.858105| |7.549302|12.440005|36.858105| |7.495563|12.422319|7.615148|36.858105| |6.278929|7.624972|4.993879|13.171732|53.358707| |4.808950|5.780649|4.123978|7.595864|18.644737|36.858105| |4.373635|5.611108|4.213683|6.646611|11.407690|16.017309|73.516695| |3.910722|4.177135|3.187192|5.090282|11.077744|12.648547|13.902763|36.858105| |4.083004|4.102639|3.143958|5.112428|11.202686|8.335721|9.842905|14.207452|36.858105| |5.352678|5.411771|3.948130|7.609570|18.922475|8.429597|9.985175|8.204390|12.600287|36.858105| |5.222624|4.932121|3.826819|6.558946|11.378514|5.587779|7.546452|5.482345|7.812346|15.934832|73.516695| |3.377260|3.259596|2.629425|3.859249|7.205942|5.197543|7.052727|7.595105|13.733675|7.687537|11.666548|53.358707| |2.726444|2.685879|2.238715|3.101525|5.463326|4.258271|6.185981|6.222752|7.761107|5.021802|7.867612|17.789636|36.858105| |2.369128|2.307941|1.980810|2.630939|4.373934|3.253662|4.907801|4.214461|5.137755|3.972361|6.792027|10.645578|12.470060|36.858105| |2.374832|2.238602|1.928187|2.483916|4.039226|2.912038|4.423338|3.612248|4.459520|3.686979|6.601929|8.978091|7.536025|12.455556|36.858105| |2.811652|2.574098|2.185335|2.861953|4.681358|3.211046|4.768222|3.889374|5.161170|4.515432|8.547457|10.585453|6.535878|7.590839|12.457072|36.858105| |3.446549|3.121438|2.539371|3.493871|6.095156|4.174811|5.928128|5.333012|7.888607|6.263098|10.969822|17.792219|7.828061|6.580426|7.564559|12.485424|36.858105| |3.116589|3.311980|2.665848|3.777616|6.974508|7.397876|11.256856|13.001829|7.395982|5.044679|6.906786|7.851199|5.917729|4.033307|3.380274|3.391062|4.337088|36.858105| |2.927023|3.083727|2.521189|3.298805|5.669194|5.736278|10.016974|7.346905|5.090118|3.938299|5.657841|5.816648|4.399840|3.275459|2.889595|2.885897|3.588116|13.428179|36.858105| |2.446974|2.582644|2.189154|2.754669|4.522729|4.302772|7.785590|5.192816|3.971265|3.185714|4.753752|4.842458|3.876883|3.027202|2.645683|2.559175|3.032050|8.416886|14.669589|53.358707| |2.315193|2.459859|2.104610|2.712791|4.480945|4.197522|7.362544|5.271208|4.117911|3.235946|4.849375|5.147622|4.358459|3.382920|2.820318|2.661457|3.089766|8.686251|9.037232|19.023551|53.358707| |2.578344|2.754589|2.313850|3.162389|5.473321|5.251047|8.581228|7.419549|5.519997|4.049612|5.883768|6.688492|5.734630|4.113037|3.272709|3.116717|3.706625|13.430916|8.476123|11.325538|18.950680|36.858105| |2.401140|2.569693|2.199363|3.016237|5.112319|4.576357|7.391377|6.066593|5.137956|3.901625|5.839364|6.601923|5.909826|4.469218|3.375866|3.147560|3.585770|7.807000|5.477849|7.491627|11.292389|15.347256|73.516695| |1.977182|2.095381|1.840636|2.292546|3.648578|3.247350|5.785890|3.833985|3.224070|2.652066|4.107704|4.194744|3.593853|3.002641|2.517877|2.330219|2.595790|5.302183|5.486751|10.682088|18.110440|7.651855|11.749465|36.858105| |1.871595|2.020311|1.806976|2.205046|3.410230|3.016187|5.593952|3.326982|2.805797|2.414285|3.769975|3.573585|2.926002|2.513492|2.146550|2.026728|2.239991|4.275956|4.442082|7.966046|10.442168|5.612891|9.315130|12.537898|36.858105| |1.919059|2.109591|1.900366|2.348131|3.599059|3.175792|5.954087|3.395818|2.867786|2.518048|3.930308|3.593856|2.883526|2.488964|2.108610|2.014794|2.222556|4.153677|4.027346|6.502480|8.401645|5.438549|9.838636|7.549171|13.662316|36.858105| |1.780082|1.971082|1.813483|2.171042|3.225685|2.777649|5.312940|2.843912|2.453121|2.230291|3.534184|3.074027|2.408379|2.128846|1.840994|1.777230|1.941723|3.297276|3.256037|5.060637|5.906649|3.965048|7.183853|5.014790|7.904979|13.782189|36.858105| |1.634202|1.793178|1.664136|1.932375|2.838137|2.415327|4.635859|2.462627|2.146588|1.964934|3.142124|2.715263|2.122129|1.897138|1.669843|1.611035|1.751194|2.846792|2.927389|4.618831|5.099790|3.298727|5.795100|4.418005|6.821305|7.918447|13.709825|36.858105| |1.604502|1.737560|1.600673|1.850566|2.742871|2.343008|4.460927|2.435541|2.119699|1.914238|3.058062|2.705472|2.137825|1.906992|1.687600|1.616392|1.758904|2.884293|3.074019|5.061324|5.464484|3.335589|5.681974|4.994240|7.889713|6.877525|7.958118|13.784539|36.858105| |1.705160|1.831417|1.660350|1.957987|2.964151|2.570254|4.825692|2.759551|2.372928|2.088888|3.306492|3.042971|2.452359|2.155013|1.888142|1.790366|1.961303|3.412283|3.704588|6.522504|7.280260|4.088703|6.765434|7.519274|13.747427|7.964692|6.901289|7.937143|13.710871|36.858105| |3.193780|3.291942|2.664150|3.306014|5.486574|5.276556|9.564850|5.850256|4.438350|3.709747|5.427628|5.086153|3.629818|2.830101|2.628290|2.703438|3.380155|7.284591|12.839229|10.825100|7.357620|5.141401|6.890873|3.971317|3.454030|3.176531|2.724991|2.534190|2.667147|3.090604|36.858105| |2.854245|2.986143|2.510168|2.910347|4.540856|4.181139|8.157544|4.247015|3.399680|3.014029|4.554732|4.002965|2.885058|2.355877|2.208710|2.259066|2.716701|5.037582|7.643478|8.955885|6.186752|4.076988|5.744465|3.629900|3.342318|3.045631|2.698345|2.588398|2.761998|3.142472|13.664497|36.858105| |2.855245|2.918274|2.493420|2.721922|4.092727|3.552282|6.860263|3.488213|2.951439|2.722984|4.217865|3.534899|2.504032|2.101226|2.019510|2.091280|2.486963|3.825236|5.055040|6.106828|4.665515|3.179932|4.696725|2.885707|2.707488|2.508702|2.287624|2.227411|2.362042|2.610590|7.888734|13.777199|36.858105| |3.198698|3.118543|2.625492|2.821676|4.232031|3.525969|6.525182|3.465565|3.044119|2.854344|4.466725|3.668999|2.536097|2.139025|2.103031|2.219674|2.668178|3.595940|4.447677|5.161636|4.132948|2.934151|4.408351|2.558246|2.365698|2.222611|2.027068|1.955576|2.049966|2.255007|6.804485|7.923980|13.729080|36.858105| |3.703884|3.473397|2.804105|3.176663|4.962863|4.109401|7.179603|4.183410|3.719215|3.420840|5.276755|4.444097|2.995205|2.472676|2.453396|2.634883|3.286027|4.193492|5.032392|5.454895|4.429622|3.261386|4.861610|2.667760|2.402724|2.270173|2.036856|1.930820|2.009389|2.234561|7.881976|6.891425|7.966392|13.766566|36.858105| |3.700175|3.588311|2.827024|3.487864|5.833087|5.189167|8.713184|5.742246|4.770144|4.061261|5.987071|5.508095|3.727017|2.922526|2.819589|2.998381|3.882459|5.993657|7.584089|7.216804|5.672742|4.258010|6.059603|3.225033|2.815525|2.646383|2.311685|2.152811|2.239749|2.543067|13.692804|7.967718|6.897211|7.927644|13.736095|36.858105| |17.529069|8.792543|6.923007|5.466404|6.442399|3.976649|6.736398|3.335838|3.402927|4.144622|7.210548|3.956443|2.420677|2.129280|2.152608|2.508953|3.006676|2.783680|2.699564|3.115363|2.912495|2.330938|3.843289|1.846440|1.756657|1.787830|1.671212|1.551675|1.531050|1.620198|3.019034|2.778515|2.872160|3.283316|3.708297|3.511165|0.500000| |17.576896|8.763699|5.483933|6.786215|9.455968|5.408466|8.283186|4.575081|4.869064|6.266090|10.360338|5.385061|3.108940|2.643873|2.667528|3.204867|4.118410|3.552533|3.319531|3.686111|3.456818|2.850401|4.648714|2.134590|1.986340|2.015532|1.843983|1.689685|1.672118|1.798180|3.670800|3.161953|3.134043|3.587041|4.394558|4.470818|0.302107|0.500000| |17.525956|8.764633|6.796588|6.796938|7.632989|4.177561|6.644409|3.545215|3.870361|5.236123|10.058179|4.516689|2.659933|2.366030|2.399759|2.891647|3.454378|2.834441|2.618364|3.030580|2.918779|2.401899|4.057614|1.853604|1.754528|1.806660|1.680502|1.540820|1.508017|1.598161|2.780604|2.488396|2.472469|2.737580|3.143613|3.175544|0.300830|0.301643|0.500000| |8.908001|17.547939|8.913424|8.958433|9.568452|6.285278|11.941247|4.378110|4.032759|4.896796|7.538895|4.315871|2.671662|2.262877|2.177601|2.456609|2.999163|3.567536|3.432510|3.864553|3.596220|2.913174|4.718562|2.228329|2.156947|2.238674|2.089946|1.909228|1.857993|1.961531|3.785549|3.484487|3.421656|3.631503|3.979974|4.078133|0.212608|0.213725|0.173398|0.500000| |6.816471|8.759283|17.508735|6.869957|6.253240|3.681150|6.446543|2.956488|3.014109|3.856183|7.001954|3.506750|2.183864|1.964005|1.925202|2.200638|2.514879|2.467143|2.302568|2.746224|2.674869|2.172838|3.728862|1.733464|1.697056|1.788408|1.708014|1.565553|1.503456|1.558190|2.395068|2.240247|2.216434|2.338339|2.516315|2.550584|0.169756|0.139217|0.200777|0.173410|0.500000| |5.480549|8.752368|17.536995|6.960119|6.360577|4.057978|7.723844|3.097701|2.982205|3.644283|6.161058|3.391474|2.159841|1.910886|1.835110|2.046262|2.356998|2.637389|2.497819|2.986676|2.888487|2.324151|3.946549|1.867548|1.860397|1.979588|1.909596|1.747803|1.664691|1.711299|2.601800|2.485643|2.442870|2.506730|2.626339|2.678933|0.141172|0.122534|0.139057|0.213292|0.301113|0.500000| |6.895134|8.771360|17.539947|5.509071|5.579735|3.560627|6.550938|2.849751|2.796468|3.375869|5.837039|3.246319|2.057766|1.832182|1.801102|2.030588|2.343092|2.447023|2.370244|2.821765|2.681132|2.129324|3.574280|1.733591|1.703199|1.773314|1.699735|1.578152|1.528380|1.581996|2.558425|2.457384|2.503589|2.669173|2.802021|2.736551|0.207920|0.141047|0.168424|0.212654|0.301556|0.301693|0.500000| |5.489433|8.856775|7.102835|17.588868|12.617857|7.118134|12.645141|4.706537|4.463925|5.905201|9.085848|4.685847|2.887241|2.464095|2.287075|2.562692|3.049414|3.669634|3.225434|3.740945|3.720960|3.166692|5.422315|2.332671|2.292468|2.489433|2.331060|2.058469|1.943538|2.033873|3.171065|2.858481|2.646827|2.667681|2.915000|3.205143|0.123189|0.139340|0.139985|0.215064|0.173677|0.214680|0.143658|0.500000| |6.843690|8.809231|6.867185|17.599099|12.690138|5.725734|8.784658|4.392073|4.753728|7.412362|13.509608|5.161995|3.018857|2.636832|2.517490|2.950598|3.508010|3.324704|2.885671|3.348303|3.349246|2.871036|4.997991|2.115349|2.030140|2.163894|2.009310|1.791803|1.713876|1.807983|2.859275|2.528916|2.384457|2.486808|2.797539|3.039056|0.140028|0.168272|0.202993|0.174530|0.203181|0.169700|0.140140|0.301433|0.500000| |2.639252|2.574289|2.145423|2.876647|4.998664|4.018296|5.991461|5.855428|6.529532|4.368641|6.805221|12.289261|17.459901|8.847965|6.777800|5.735406|7.018689|6.198006|4.906848|5.899586|6.426711|5.831911|9.725278|3.829774|3.016371|2.870658|2.385563|2.133472|2.189845|2.550150|4.041957|3.150587|2.714751|2.753588|3.287779|4.172678|0.066128|0.084377|0.070505|0.072370|0.057593|0.057393|0.055478|0.074461|0.076559|0.500000| |2.625285|2.670792|2.241507|3.142035|5.535512|4.504967|6.624618|6.672078|7.349438|4.845457|7.384061|12.490254|17.677369|8.844303|5.502968|4.902677|5.682208|6.786760|4.716406|5.796336|7.004404|7.480946|15.371516|4.193741|3.375046|3.382827|2.754608|2.374157|2.370510|2.739901|3.675542|2.946993|2.508335|2.479890|2.865768|3.584523|0.064744|0.081720|0.070685|0.074399|0.060434|0.060981|0.056892|0.083381|0.084041|0.302139|0.500000| |2.114872|2.077961|1.806024|2.339055|3.815161|2.902470|4.498639|3.694227|4.190027|3.313889|5.620683|7.691118|8.883103|17.521771|8.800314|5.509165|4.919059|3.754582|3.141784|4.099245|4.665455|4.028264|7.901947|3.149340|2.598922|2.538338|2.160538|1.934584|1.959898|2.231006|2.689289|2.272133|2.020981|2.033898|2.314600|2.718254|0.053467|0.064941|0.058321|0.057157|0.049561|0.048761|0.046715|0.061771|0.064629|0.216155|0.212695|0.500000| |2.347042|2.311969|2.003548|2.686075|4.407852|3.202561|4.834386|3.999235|4.927395|4.034404|7.097955|9.580804|8.898808|17.523862|8.846412|6.797311|5.752494|3.706935|2.988769|3.771834|4.250327|3.833397|7.725648|2.810342|2.418472|2.453323|2.119837|1.873986|1.857642|2.071744|2.592396|2.189886|1.961815|1.989722|2.274715|2.655591|0.058226|0.071651|0.065918|0.062226|0.055701|0.053919|0.051078|0.070334|0.076077|0.174067|0.216901|0.302211|0.500000| |2.297834|2.152811|1.853130|2.340151|3.792582|2.790673|4.292114|3.472522|4.110345|3.361676|5.884955|7.794300|6.762628|8.857615|17.483154|8.860423|6.772825|3.365671|2.968849|3.722450|3.900413|3.232537|5.750579|2.560120|2.155426|2.079108|1.811793|1.659180|1.696127|1.911065|2.730984|2.291223|2.101285|2.198481|2.576207|2.954822|0.058575|0.072174|0.063721|0.058881|0.050990|0.048953|0.048535|0.059952|0.064968|0.198795|0.139170|0.215498|0.173757|0.500000| |2.142532|2.025421|1.775977|2.235450|3.537846|2.531586|3.914724|3.030081|3.630819|3.157533|5.783006|6.713201|5.482791|8.781800|17.510836|8.799515|5.499448|2.862696|2.493679|3.164629|3.380854|2.828621|5.266176|2.273402|1.967806|1.941368|1.714188|1.562459|1.575347|1.747537|2.287215|1.963321|1.811660|1.880713|2.157827|2.429993|0.054389|0.065728|0.060706|0.054505|0.049615|0.047099|0.046237|0.057664|0.063567|0.138852|0.123223|0.209175|0.214276|0.302871|0.500000| |2.722496|2.437285|2.091938|2.632536|4.179410|2.853509|4.321363|3.335657|4.216253|3.879822|7.461496|7.660307|4.898529|5.506294|8.789707|17.505024|8.866359|2.957271|2.608319|3.168858|3.235824|2.707063|4.793243|2.103777|1.845739|1.824801|1.626108|1.489443|1.500060|1.652994|2.512568|2.130740|2.007893|2.158804|2.557755|2.828575|0.068586|0.085923|0.078369|0.064538|0.058738|0.054032|0.054634|0.065334|0.075589|0.128708|0.107865|0.123191|0.138915|0.215630|0.209156|0.500000| |2.809790|2.599617|2.231554|2.951131|4.745150|3.159854|4.693578|3.703336|4.949547|4.651027|9.378071|9.532132|5.710876|6.787540|8.835177|17.534478|8.933668|3.165352|2.668571|3.240547|3.406793|2.954517|5.436299|2.212225|1.956180|1.975464|1.755921|1.583623|1.573080|1.726405|2.488663|2.107222|1.953481|2.058584|2.407748|2.716110|0.069001|0.087075|0.081949|0.067806|0.063284|0.058152|0.057068|0.073518|0.086736|0.132154|0.128130|0.138900|0.198662|0.173687|0.214335|0.301760|0.500000| |4.100704|3.556428|2.845236|3.954597|6.820135|4.335115|6.109075|5.098325|7.515843|7.332694|14.117142|12.456925|5.675235|4.926415|5.522031|8.883934|17.666354|3.961687|3.345687|3.816981|3.825360|3.330477|5.702020|2.371162|2.092228|2.096429|1.856552|1.678766|1.675993|1.847690|3.263870|2.659876|2.479087|2.701296|3.339873|3.828363|0.097050|0.139183|0.116798|0.092445|0.078992|0.071912|0.072551|0.092568|0.112512|0.143516|0.127608|0.108216|0.128907|0.139428|0.123652|0.213139|0.218518|0.500000| |3.314285|2.971749|2.419828|3.199102|5.499879|3.953886|5.758196|5.087961|6.630798|5.161287|8.633614|12.335027|7.045931|5.765854|6.791572|8.842453|17.397839|4.414529|3.828827|4.376341|4.333631|3.697441|6.125474|2.657833|2.263487|2.201685|1.918558|1.748144|1.777629|1.997623|3.703471|2.933170|2.696999|2.937958|3.712246|4.417734|0.082334|0.111616|0.089989|0.081230|0.065691|0.062393|0.063025|0.078260|0.087024|0.209605|0.144065|0.129126|0.132786|0.198993|0.139021|0.215744|0.174238|0.301441|0.500000| |1.910417|2.012726|1.774502|2.228002|3.549984|3.083891|5.357253|3.698830|3.228833|2.640832|4.135575|4.335992|3.857459|3.294836|2.687134|2.431372|2.655236|4.885618|4.636369|7.969385|12.774130|7.351074|13.356295|17.605191|8.927883|6.811354|4.646783|3.999183|4.320452|5.911199|3.451807|3.102587|2.541160|2.312159|2.444250|2.933377|0.049322|0.057227|0.050299|0.058607|0.046874|0.049892|0.046240|0.062766|0.057892|0.112113|0.128437|0.098504|0.086014|0.075269|0.067756|0.060444|0.064399|0.066593|0.074609|0.500000| |1.871284|1.957507|1.726789|2.102490|3.312964|2.899401|5.168518|3.392070|2.913435|2.418840|3.788365|3.853168|3.292487|2.806848|2.413761|2.221606|2.456897|4.564365|5.060351|10.110049|12.674249|5.819024|8.903456|17.583301|8.893141|5.588973|4.186148|3.975750|4.767096|7.300784|3.881133|3.639098|2.924862|2.581159|2.662019|3.169327|0.049014|0.056224|0.048709|0.057926|0.045189|0.048409|0.045598|0.058919|0.054066|0.100320|0.102384|0.082561|0.072004|0.069427|0.060807|0.056414|0.058031|0.062313|0.071118|0.301119|0.500000| |2.052629|2.266737|2.023540|2.584293|4.027362|3.576129|6.561552|3.887971|3.268840|2.837225|4.389237|4.066909|3.276479|2.790173|2.312803|2.211659|2.449849|4.714130|4.238209|6.494494|8.866454|6.554024|13.034920|7.065184|8.937615|17.717216|8.893067|5.628827|4.954390|5.667165|3.259477|3.016547|2.483932|2.237932|2.329745|2.753433|0.052507|0.060043|0.053879|0.066249|0.053102|0.058489|0.051890|0.076280|0.066281|0.088468|0.110306|0.078413|0.077245|0.062555|0.058832|0.054969|0.060624|0.063939|0.066487|0.194626|0.141483|0.500000| |1.780197|1.989867|1.849848|2.212647|3.241151|2.749645|5.268384|2.754551|2.405426|2.229705|3.555416|3.001946|2.319149|2.067918|1.790884|1.742260|1.895462|3.078127|2.963158|4.420468|5.092559|3.619990|6.746861|4.093498|5.632237|8.939157|17.696912|8.900648|5.653169|4.965077|2.519513|2.479887|2.134178|1.914935|1.931566|2.177377|0.046289|0.050783|0.046920|0.058180|0.048587|0.054573|0.047899|0.066854|0.057175|0.062837|0.073610|0.057850|0.057974|0.048522|0.046530|0.044257|0.048282|0.050710|0.051498|0.109363|0.096237|0.214640|0.500000| |1.542949|1.695781|1.594113|1.816440|2.626288|2.200646|4.235389|2.208492|1.949570|1.813489|2.926047|2.470151|1.910215|1.726787|1.534571|1.488449|1.608825|2.489943|2.551832|3.920823|4.228749|2.811295|4.973118|3.535268|4.923248|5.634727|8.885437|17.693281|8.910908|5.638959|2.265489|2.333145|2.049491|1.811320|1.778214|1.954723|0.040875|0.043981|0.040533|0.050007|0.041748|0.046723|0.042132|0.053966|0.046998|0.053119|0.058771|0.048757|0.047636|0.042275|0.040119|0.038419|0.040818|0.043124|0.044507|0.090950|0.090469|0.123786|0.214387|0.500000| |1.499136|1.614201|1.498140|1.699482|2.495112|2.105184|4.004043|2.173893|1.913901|1.743759|2.807460|2.456907|1.930579|1.739910|1.559229|1.495918|1.619465|2.535051|2.730187|4.425600|4.609072|2.852028|4.846087|4.077316|5.626871|4.952286|5.647595|8.915816|17.690439|8.902925|2.441290|2.571589|2.246421|1.950923|1.891542|2.074503|0.040017|0.043273|0.039180|0.047931|0.039127|0.043216|0.040010|0.049400|0.043866|0.055163|0.058637|0.049697|0.047014|0.043709|0.040623|0.038840|0.040401|0.043014|0.045646|0.099883|0.113476|0.107513|0.124096|0.214559|0.500000| |1.652631|1.753634|1.587693|1.853561|2.808079|2.417213|4.498096|2.619984|2.273479|1.993916|3.169825|2.948158|2.387350|2.108563|1.868266|1.762893|1.926593|3.246372|3.631840|6.514268|6.866481|3.785472|6.148278|6.977834|8.932171|5.654213|4.964791|5.648996|8.914688|17.692636|3.097370|3.188688|2.667741|2.297094|2.261502|2.555021|0.043867|0.048622|0.043000|0.052208|0.041412|0.045136|0.042291|0.052925|0.047645|0.070159|0.072866|0.060991|0.055695|0.053120|0.048052|0.045493|0.046853|0.050260|0.055132|0.152331|0.224712|0.124478|0.107697|0.124110|0.215419|0.500000| |2.554109|2.724882|2.343226|2.706365|4.168280|3.847487|7.700360|3.895648|3.114210|2.766125|4.208543|3.702942|2.726507|2.249770|2.080529|2.098526|2.475508|4.780033|7.134478|9.845040|6.666467|4.148113|5.858778|4.017922|3.830237|3.421421|3.040279|2.958915|3.210476|3.675594|8.955652|17.750579|8.905415|5.636700|4.964201|5.671122|0.068839|0.077060|0.062735|0.087384|0.058375|0.065550|0.063448|0.075515|0.065744|0.081912|0.079019|0.060999|0.058516|0.059638|0.051790|0.054749|0.054837|0.066888|0.073131|0.092433|0.112272|0.091536|0.076242|0.073354|0.082762|0.103629|0.500000| |2.553179|2.632897|2.318103|2.448290|3.589588|3.058042|5.980785|2.965925|2.550600|2.389693|3.757491|3.093699|2.209278|1.888371|1.816414|1.870548|2.181037|3.237723|4.120492|5.280826|4.159880|2.804361|4.228677|2.667008|2.568864|2.381976|2.215884|2.197735|2.341112|2.541976|5.626021|8.936511|17.691572|8.904970|5.654726|4.962556|0.072134|0.076053|0.062098|0.085076|0.057385|0.063750|0.065285|0.067040|0.060114|0.065931|0.061835|0.050818|0.049329|0.052355|0.045742|0.050099|0.048898|0.060482|0.065023|0.065278|0.075645|0.064595|0.057434|0.056720|0.062763|0.072522|0.214919|0.500000| |3.028235|2.907548|2.515324|2.580903|3.760734|3.028869|5.596029|2.942145|2.659592|2.552745|4.083633|3.258221|2.249576|1.938430|1.928292|2.041524|2.408808|2.997174|3.554250|4.267913|3.531880|2.517589|3.869589|2.243423|2.100462|1.985622|1.836118|1.785660|1.866984|2.026436|4.914502|5.635621|8.887359|17.693554|8.901167|5.635667|0.088882|0.092327|0.072590|0.092816|0.062497|0.066421|0.072459|0.067830|0.064021|0.067251|0.060880|0.051310|0.050378|0.055952|0.048392|0.055811|0.052860|0.068354|0.073226|0.056911|0.063095|0.055365|0.048471|0.046392|0.049831|0.057445|0.123888|0.214308|0.500000| |3.924890|3.471982|2.812398|3.114408|4.787125|3.744435|6.362501|3.805774|3.581742|3.388147|5.369767|4.383235|2.897065|2.439352|2.484779|2.723175|3.389894|3.654209|4.100759|4.568711|3.872773|2.906598|4.449820|2.378150|2.146691|2.046290|1.848510|1.751868|1.812728|1.999845|5.624247|4.959570|5.652174|8.912977|17.691380|8.921836|0.111481|0.131847|0.093049|0.107215|0.070934|0.071733|0.078864|0.077866|0.077640|0.087678|0.075487|0.062930|0.062382|0.072665|0.060867|0.074876|0.068805|0.097798|0.107571|0.061623|0.065877|0.058643|0.049079|0.045111|0.047588|0.056168|0.107681|0.124120|0.214427|0.500000| 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