Version2.1 2021-01-06T23:40:06Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 22-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CN(C)c1ccc(cc1)[C@H](CNC(=O)C(=O)NC[C@@H]2CCCO2)[NH+]3CCc4ccccc4C3 C10188461 RHF 6-31G(d) (6D,7F) CN(C)c1ccc(cc1)[C@H](CNC(=O)C(=O)NC[C@@H]2CCCO2)[NH+]3CCc4ccccc4C3 C01[X(C26H35N4O3)] 198 C1 565 O=C(C(=O)NC[C@H]([NH+]1CCc2c(C1)cccc2)c1ccc(cc1)N(C)C)NC[C@@H]1CCCO1 O=C(C(=O)NC[C@H]([NH+]1CCc2c(C1)cccc2)c1ccc(cc1)N(C)C)NC[C@@H]1CCCO1 CN(C)c1ccc(cc1)[C@H](CNC(=O)C(=O)NC[C@@H]2CCCO2)[NH+]3CCc4ccccc4C3 InChIKey=BGUVFZVWGFVBOZ-ZEQRLZLVSA-O InChI=1S/C26H34N4O3/c1-29(2)22-11-9-20(10-12-22)24(30-14-13-19-6-3-4-7-21(19)18-30)17-28-26(32)25(31)27-16-23-8-5-15-33-23/h3-4,6-7,9-12,23-24H,5,8,13-18H2,1-2H3,(H,27,31)(H,28,32)/p+1/t23-,24-/m0/s1 InChI=1/C26H34N4O3/c1-29(2)22-11-9-20(10-12-22)24(30-14-13-19-6-3-4-7-21(19)18-30)17-28-26(32)25(31)27-16-23-8-5-15-33-23/h3-4,6-7,9-12,23-24H,5,8,13-18H2,1-2H3,(H,27,31)(H,28,32)/p+1/t23-,24-/m0/s1/fC26H35N4O3/h27-28,30H/q+1 CN(C)c1ccc(cc1)[C@H](CNC(=O)C(=O)NC[C@@H]2CCCO2)[NH+]3CCc4ccccc4C3 C01[X(C26H35N4O3)] 198 C01 565 O=C(C(=O)NC[C@H]([NH+]1CCc2c(C1)cccc2)c1ccc(cc1)N(C)C)NC[C@@H]1CCCO1 O=[C]([NH]C[C@@H]1CCCO1)C(=O)NC[C@H]([NH]1CC[C]2[C]([CH][CH][CH][CH]2)C1)[C]1[CH][CH][C]([CH][CH]1)N(C)C CN(C)[C]1[CH][CH][C]([CH][CH]1)[C@H](CNC(=O)C(=O)NC[C@@H]2CCCO2)[NH]3CC[C]4[CH][CH][CH][CH][C]4C3 InChIKey=UYRBFUAKCTWQBG-ZEQRLZLVSA-N InChI=1S/C26H35N4O3/c1-29(2)22-11-9-20(10-12-22)24(30-14-13-19-6-3-4-7-21(19)18-30)17-28-26(32)25(31)27-16-23-8-5-15-33-23/h3-4,6-7,9-12,23-24,30H,5,8,13-18H2,1-2H3,(H,27,31)(H,28,32)/t23-,24-/m0/s1 InChI=1/C26H35N4O3/c1-29(2)22-11-9-20(10-12-22)24(30-14-13-19-6-3-4-7-21(19)18-30)17-28-26(32)25(31)27-16-23-8-5-15-33-23/h3-4,6-7,9-12,23-24,30H,5,8,13-18H2,1-2H3,(H,27,31)(H,28,32)/t23-,24-/m0/s1/f/h27-28H 3284.3339374291 -1447.1789897 1-A 23863.3289 121 444 565 |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| -20.63996 -20.62228 -20.61559 -15.82653 -15.69403 -15.66907 -15.66502 -11.45304 -11.43752 -11.42488 -11.42314 -11.41656 -11.39714 -11.38511 -11.36549 -11.36337 -11.35928 -11.35249 -11.34682 -11.34594 -11.34385 -11.34308 -11.33963 -11.33867 -11.33816 -11.33617 -11.33495 -11.33192 -11.32975 -11.32754 -11.32359 -11.28934 -11.28489 -1.51307 -1.47515 -1.46866 -1.45234 -1.35795 -1.35442 -1.31889 -1.28140 -1.25795 -1.20566 -1.18497 -1.15533 -1.13118 -1.12847 -1.12159 -1.10904 -1.10134 -1.06280 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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|A|A|A| 8.1003 13.0432 20.5291 25.1613 34.2717 37.5703 38.3045 50.8930 58.7375 64.6222 73.1110 76.3826 86.1030 91.4582 115.8876 131.8270 147.1386 155.2809 194.4862 203.0578 214.4908 225.4619 228.4404 247.7546 264.4432 281.5608 290.0823 294.9664 306.8311 327.0975 365.8874 393.1708 417.9190 440.8973 468.7056 470.9141 484.3905 496.6781 497.6769 508.9633 516.4332 534.9155 550.5182 566.0782 586.6386 600.5270 609.0274 613.7140 640.3183 643.9456 647.8566 697.6343 715.0475 742.2437 752.4482 755.6478 781.8974 804.5510 809.9988 834.9441 851.5559 861.5409 902.6455 907.8759 911.1938 915.7598 921.6588 938.4171 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211.70 223.41 279.82 292.15 308.60 324.39 328.67 356.46 380.47 405.10 417.36 424.39 441.46 470.62 526.43 565.69 601.29 634.35 674.36 677.54 696.93 714.61 716.05 732.28 743.03 769.62 792.07 814.46 844.04 864.02 876.25 883.00 921.28 926.49 932.12 1003.74 1028.79 1067.92 1082.61 1087.21 1124.98 1157.57 1165.41 1201.30 1225.20 1239.57 1298.71 1306.23 1311.00 1317.57 1326.06 1350.17 1353.07 1390.65 1404.05 1425.68 1430.38 1438.01 1491.37 1506.57 1511.99 1530.05 1547.54 1550.84 1562.75 1572.23 1577.80 1581.93 1595.86 1607.84 1626.23 1632.87 1640.20 1659.13 1691.91 1709.90 1718.44 1728.53 1755.74 1762.48 1782.88 1796.70 1797.26 1801.76 1807.31 1829.41 1844.30 1870.33 1879.77 1880.96 1886.38 1895.94 1896.15 1921.62 1934.65 1936.86 1963.52 1968.88 1990.50 2003.63 2016.51 2021.14 2045.95 2056.25 2066.43 2089.64 2115.08 2128.03 2137.44 2144.43 2157.98 2178.01 2183.42 2191.62 2204.51 2229.02 2235.49 2260.44 2267.76 2271.00 2288.55 2295.61 2319.72 2341.43 2347.94 2355.06 2358.00 2360.42 2360.70 2366.84 2370.30 2370.87 2378.22 2392.08 2394.55 2406.68 2418.77 2422.32 2446.52 2456.92 2515.39 2541.00 2574.31 2596.92 2607.03 2789.15 2831.30 4598.44 4608.22 4608.96 4614.16 4629.07 4644.59 4649.30 4663.14 4684.25 4688.83 4691.93 4696.82 4701.15 4711.45 4723.08 4732.37 4746.08 4760.74 4774.20 4780.90 4784.55 4794.76 4811.97 4815.54 4827.37 4830.78 4842.99 4843.62 4873.60 4895.33 4928.75 4931.24 5321.73 5543.36 5562.40 0.635440 0.665277 0.666221 0.567624 -1446.543550 -1446.513713 -1446.512769 -1446.611366 3.306960D-04 MUNgauss RevisionA2.0 retrievium 06-Jan-2021 DUDE CN(C)c1ccc(cc1)[C@H](CNC(=O)C(=O)NC[C@@H]2CCCO2)[NH+]3CCc4ccccc4C3 C10188461 RHF 6-31G(d) (6D,10F) C1 451.270916 |X|Y|Z| 86.212713 123.825754 33.133817 70.721466 28 6 7 8 24 3 1 |36.858105| |13.133835|53.358707| |7.623113|17.881000|36.858105| |7.814101|19.004734|7.810552|36.858105| |6.728430|10.715727|5.090232|13.545669|36.858105| |4.526054|7.051982|3.917604|7.854934|13.822174|36.858105| |3.742849|6.164693|3.742305|6.703581|7.869318|13.707834|36.858105| |3.918655|7.054331|4.527695|7.854829|6.917291|8.027502|13.675247|36.858105| |5.089369|10.713555|6.727704|13.520737|7.945584|6.915051|7.864679|13.838726|36.858105| |2.904338|4.536971|2.901314|4.378567|5.011759|7.553298|12.622272|7.500295|4.997204|36.858105| |2.797074|4.204356|2.653108|3.946252|4.784984|7.315210|8.903154|5.569849|4.176118|17.637817|0.500000| |2.581530|4.010235|2.665094|3.704276|3.994166|5.275246|7.486205|6.078041|4.312606|12.349455|0.248515|36.858105| |2.666166|4.047267|2.659783|3.685644|4.075196|5.234921|6.365915|5.200383|4.055052|7.818180|0.201187|13.264600|53.358707| |2.445903|3.576814|2.337039|3.156809|3.604862|4.549513|4.932214|3.975609|3.293603|6.067819|0.185837|7.897092|19.343450|36.858105| |2.248654|3.255817|2.129918|2.844839|3.274064|4.158940|4.463989|3.553125|2.949034|5.893409|0.199395|6.911783|11.539104|15.840698|73.516695| |2.410464|3.437460|2.257448|2.934009|3.315924|3.882271|3.918495|3.352350|2.961592|4.254073|0.126535|5.063020|10.801212|12.393263|14.032923|36.858105| |2.565176|3.675502|2.433430|3.108209|3.419126|3.834342|3.859994|3.455507|3.136224|3.923054|0.110898|4.663957|9.782323|8.041601|9.792523|15.822973|73.516695| |2.164228|3.019798|1.990413|2.519820|2.857479|3.281032|3.227075|2.778306|2.502192|3.525542|0.108091|3.970012|7.283449|7.960048|12.425256|14.395805|14.934905|53.358707| |2.024408|2.775205|1.847832|2.253574|2.513916|2.764369|2.674116|2.377747|2.208612|2.813406|0.084341|3.092765|5.356069|5.028414|8.120622|7.781385|11.775113|17.878291|36.858105| |1.939036|2.608669|1.726551|2.095190|2.364830|2.575796|2.432106|2.149931|2.018735|2.543539|0.077614|2.674401|4.399746|4.027926|6.994304|5.286998|8.142321|10.653485|12.520294|36.858105| |2.114766|2.809767|1.834187|2.257720|2.595705|2.813766|2.584144|2.259268|2.136960|2.654781|0.081811|2.716382|4.463682|4.038325|6.971806|5.186569|8.117915|9.552135|8.919758|17.554452|0.500000| |1.747500|2.332915|1.564755|1.837814|2.034149|2.162333|2.050826|1.856024|1.769931|2.116630|0.063369|2.220618|3.551244|3.082953|5.346885|3.859144|6.390330|6.799748|7.448934|12.375081|0.242143|36.858105| |1.562192|2.101739|1.420370|1.657552|1.822097|1.952816|1.881208|1.706602|1.614810|1.977627|0.059269|2.083189|3.254689|2.825847|5.069161|3.357747|5.436329|5.878108|5.680429|7.919999|0.162661|12.431303|36.858105| |1.606168|2.166008|1.451542|1.725746|1.922789|2.095788|2.014146|1.796309|1.681151|2.153272|0.065809|2.241796|3.473689|3.093418|5.780024|3.544756|5.486916|6.394617|5.517759|8.184515|0.176459|8.053441|12.510881|36.858105| |1.800304|2.440113|1.619020|1.971216|2.226961|2.468862|2.363346|2.071532|1.919023|2.546268|0.078941|2.666730|4.258562|3.975753|7.431368|4.734246|6.945037|9.527920|8.026203|13.476805|0.259674|8.051262|8.192655|13.500302|73.516695| |2.590576|4.043780|2.663596|3.741006|4.052189|5.390400|7.660935|6.100137|4.336089|12.395531|0.253826|7.454015|6.818859|4.263563|7.868117|3.225373|5.339653|3.838849|2.333446|2.157711|0.062028|1.839327|1.750453|1.907685|3.905978|53.358707| |2.646809|4.242275|2.854245|3.927719|4.016275|5.051209|7.427486|7.014658|4.831832|9.206406|0.182728|6.649211|6.223162|3.769130|6.686271|2.961482|5.045391|3.504171|2.169187|1.996412|0.057254|1.723437|1.636595|1.761419|3.574524|25.712952|0.500000| |2.642755|4.029688|2.605059|3.659718|4.098227|5.310742|6.309901|5.024613|3.965786|7.604822|0.204883|4.924169|5.277644|3.540485|6.675594|2.821653|4.671403|3.472824|2.154345|2.050366|0.059717|1.759770|1.676406|1.839748|3.729730|17.239496|0.259534|36.858105| |2.359972|3.592188|2.402116|3.121307|3.302731|3.895374|4.482800|4.073852|3.415029|4.971735|0.130472|3.785504|4.161846|2.809198|5.257132|2.324569|3.906277|2.904696|1.845720|1.766880|0.051048|1.546470|1.486850|1.619183|3.219767|10.466805|0.206958|12.550881|36.858105| |2.023383|3.058194|2.092195|2.607595|2.719411|3.174954|3.697191|3.440287|2.885302|4.353861|0.114542|3.641608|3.953987|2.694681|5.123578|2.222117|3.709950|2.799983|1.780601|1.697442|0.048380|1.493086|1.453571|1.583885|3.127210|9.061352|0.179437|7.575688|12.596662|36.858105| |1.810132|2.705684|1.879141|2.246172|2.311050|2.606509|2.934774|2.809626|2.452922|3.304092|0.088238|2.896608|3.271971|2.261157|4.277910|1.916871|3.222723|2.447376|1.582772|1.520363|0.043189|1.354696|1.327236|1.440106|2.805007|6.108556|0.125090|5.013208|7.554744|13.680692|36.858105| |1.620968|2.409571|1.691141|1.979962|2.026746|2.269679|2.548779|2.460752|2.162451|2.894241|0.077621|2.664121|3.041707|2.120378|4.025171|1.810856|3.041547|2.328904|1.514077|1.452126|0.040892|1.301893|1.286466|1.393087|2.693395|5.097595|0.104154|3.880833|5.020544|7.905248|13.812937|36.858105| |1.588842|2.365689|1.661467|1.955268|2.006413|2.272440|2.588818|2.486065|2.151857|3.035556|0.081210|2.900694|3.272744|2.285337|4.374215|1.930726|3.221804|2.480956|1.601944|1.523903|0.042574|1.361958|1.352616|1.466467|2.841791|5.298029|0.106731|3.754103|4.433026|6.840017|7.947801|13.708249|36.858105| |1.725509|2.588106|1.801959|2.177546|2.253448|2.615997|3.063018|2.888368|2.423937|3.781507|0.100083|3.644673|3.949804|2.731671|5.282389|2.240757|3.704083|2.846764|1.805865|1.700270|0.047458|1.501175|1.485556|1.617306|3.174400|6.888253|0.134808|4.528087|5.017229|7.915130|6.901109|7.958623|13.819095|36.858105| |1.961787|2.969957|2.036951|2.551886|2.670420|3.181608|3.821945|3.510778|2.860551|4.883259|0.127036|4.326811|4.503979|3.058341|5.904394|2.454245|4.050352|3.074748|1.927532|1.814375|0.051210|1.584983|1.550350|1.693416|3.364532|10.359442|0.193864|6.746564|7.570212|13.743424|7.951702|6.869003|7.917961|13.675068|36.858105| |2.157979|3.291303|2.222667|2.909154|3.105540|3.891095|4.951658|4.284721|3.298994|7.434765|0.185827|6.502549|6.096768|4.029909|7.858960|3.044294|4.944559|3.719225|2.262545|2.093465|0.059113|1.794374|1.740636|1.908381|3.871256|17.305583|0.259071|7.790680|6.431446|7.496165|5.004995|4.444088|5.053102|7.653792|12.579284|36.858105| |17.661758|12.517569|7.535431|5.738446|4.895453|3.615959|3.131815|3.331110|4.242498|2.516167|0.067275|2.280310|3.193205|2.165156|3.558201|2.151081|4.078104|2.655769|1.848787|1.776708|0.053453|1.623728|1.457670|1.488627|2.935281|3.117089|0.065376|2.332429|2.130344|1.850271|1.677497|1.512519|1.479554|1.592623|1.790827|1.944004|0.500000| |17.566077|12.333236|5.809839|6.887973|6.824432|4.638651|3.714811|3.738360|4.622052|2.913678|0.079254|2.525707|3.507564|2.398454|3.988632|2.336025|4.328072|2.891198|1.978693|1.922270|0.058555|1.727781|1.552218|1.610658|3.203799|3.588750|0.074053|2.775338|2.478344|2.093538|1.874496|1.665257|1.619338|1.752477|2.004276|2.188090|0.303222|0.500000| |17.529801|12.264065|6.025605|6.867464|6.648428|4.575810|3.705585|3.760227|4.666705|2.911201|0.078894|2.632194|3.814649|2.599647|4.197931|2.625329|5.033642|3.202603|2.218809|2.122545|0.064898|1.908718|1.683317|1.721729|3.450382|3.443764|0.070837|2.545974|2.240510|1.944410|1.734712|1.564945|1.547465|1.689031|1.910933|2.126933|0.301903|0.300103|0.500000| |6.027481|12.261559|17.527206|6.857782|4.664229|3.755563|3.702266|4.576085|6.641149|2.905260|0.073147|2.758698|3.798752|2.421247|3.865911|2.362128|4.610917|2.803923|1.916865|1.767462|0.051834|1.603779|1.452112|1.474090|2.928406|3.574394|0.078345|2.497451|2.290671|2.031049|1.821192|1.655333|1.643831|1.791962|2.010045|2.214776|0.163799|0.129798|0.150084|0.500000| |5.807315|12.332684|17.564245|6.886134|4.623941|3.739681|3.715194|4.639940|6.826994|2.909809|0.073041|2.649396|3.496638|2.246346|3.680492|2.131326|4.030655|2.566753|1.740165|1.628450|0.047787|1.475992|1.352503|1.388425|2.744175|3.754482|0.083759|2.709751|2.554898|2.214738|1.996799|1.787112|1.742596|1.880659|2.132042|2.294790|0.159012|0.138038|0.129760|0.300069|0.500000| |7.534496|12.519321|17.662213|5.737400|4.243072|3.330380|3.131594|3.617015|4.895177|2.514545|0.065039|2.327567|3.187788|2.100185|3.429923|2.056713|3.933262|2.504528|1.731347|1.632793|0.048223|1.495334|1.357416|1.381170|2.717358|3.174027|0.068643|2.310938|2.156527|1.893965|1.723052|1.559643|1.527907|1.642146|1.838073|1.983162|0.252916|0.159143|0.163614|0.301963|0.303295|0.500000| |7.629102|9.683306|4.626174|8.830287|17.792292|9.034182|5.647854|4.981661|5.633527|4.114047|0.114703|3.388663|4.821205|3.288920|5.390649|3.134006|5.721997|3.781735|2.494707|2.399012|0.074328|2.075624|1.844877|1.945655|3.987734|4.671249|0.093022|3.577658|2.950369|2.456240|2.124154|1.874559|1.848845|2.052771|2.398726|2.738526|0.148550|0.236658|0.222626|0.116047|0.114278|0.113686|0.500000| |3.962767|5.723632|3.278710|5.624880|9.017358|17.691742|8.904579|5.673799|4.972079|6.996918|0.224896|4.957217|6.932996|4.839007|8.189686|4.114413|6.914312|4.870209|2.974077|2.830341|0.087351|2.333403|2.103857|2.296539|4.868779|6.895267|0.124642|5.246227|3.774884|3.111969|2.563579|2.241708|2.249987|2.589301|3.132868|3.834135|0.089922|0.116088|0.114085|0.087500|0.086880|0.080190|0.220879|0.500000| |3.282908|5.735195|3.974462|5.632128|4.971128|5.661270|8.843290|17.656470|9.060595|6.881947|0.139052|6.329309|6.843227|3.785097|6.065632|3.164104|5.786115|3.584427|2.259306|2.028622|0.058375|1.764488|1.639518|1.720507|3.502478|8.485073|0.219501|4.757503|4.066911|3.596032|2.937515|2.603062|2.663639|3.122959|3.762023|4.581725|0.080303|0.086886|0.087688|0.114504|0.116408|0.090137|0.107942|0.123887|0.500000| |4.626746|9.685752|7.631772|8.821483|5.634331|4.980322|5.643603|9.036241|17.791079|4.098770|0.096344|3.748686|4.788297|2.889926|4.626946|2.643386|5.020092|3.072638|2.022763|1.847709|0.053862|1.641980|1.505654|1.555395|3.123793|5.103507|0.118545|3.422103|3.096407|2.684450|2.331011|2.077605|2.064815|2.296942|2.657537|2.984593|0.113702|0.114269|0.116117|0.222498|0.236837|0.148593|0.123334|0.107956|0.222268|0.500000| |2.265268|3.450294|2.321862|3.083095|3.320691|4.235114|5.480590|4.623430|3.499575|8.753155|0.213858|17.671042|12.729901|7.454381|13.457911|4.749308|7.451810|5.341324|3.043623|2.648023|0.073485|2.203174|2.108399|2.292486|4.822373|9.391103|0.164583|4.665499|3.702138|3.764376|3.001310|2.823245|3.172567|4.114761|4.739338|7.466358|0.056303|0.062097|0.064055|0.066406|0.064476|0.057231|0.080828|0.115856|0.136118|0.086985|0.500000| |2.572865|4.092027|2.797832|3.754162|3.809276|4.726555|6.834541|6.660483|4.636628|8.732639|0.174042|17.603461|12.596495|5.836263|8.998157|4.300896|7.511405|4.650976|2.776733|2.399328|0.067389|2.038185|1.913430|2.025488|4.206369|9.011480|0.188664|4.428466|3.620576|3.521932|2.846370|2.636481|2.869354|3.562634|4.143816|5.816832|0.063701|0.068941|0.072150|0.081751|0.078103|0.067241|0.088882|0.117566|0.219410|0.115727|0.301751|0.500000| |2.830172|4.333263|2.869193|3.925960|4.206742|5.091796|5.987511|5.332509|4.334947|6.219220|0.155889|8.911277|26.011308|9.496538|10.898746|7.752157|15.234896|6.892976|3.928834|3.169366|0.089576|2.600116|2.343886|2.444017|5.274901|5.817080|0.113649|3.425264|2.779630|2.620472|2.206242|2.054785|2.189716|2.589745|2.918081|3.768967|0.069190|0.074402|0.083641|0.085469|0.075848|0.069790|0.101167|0.131976|0.142061|0.105354|0.183335|0.225334|0.500000| |2.055083|2.868596|1.889968|2.399125|2.736241|3.191710|3.158454|2.683026|2.391063|3.572491|0.112793|3.956283|6.857056|7.732678|14.596009|9.528260|10.840712|25.981303|9.029867|7.248389|0.180345|4.690528|4.351901|5.141968|14.268257|3.956804|0.072551|2.649762|2.209750|2.147226|1.874057|1.787948|1.913316|2.203733|2.373690|2.876160|0.051522|0.056670|0.061354|0.053855|0.050185|0.048583|0.073931|0.098451|0.070982|0.059879|0.112711|0.092817|0.125549|0.500000| |1.840153|2.538664|1.714799|2.047839|2.242442|2.453510|2.422976|2.191663|2.034142|2.574674|0.076094|2.882461|4.870534|4.438462|7.313857|6.304083|9.954048|12.448586|17.546571|8.871139|0.174456|7.011605|6.056349|5.474271|12.575005|2.966057|0.056632|1.999871|1.736728|1.697072|1.519104|1.466831|1.561491|1.754899|1.847811|2.151448|0.047101|0.049857|0.055501|0.049593|0.045126|0.044744|0.061386|0.072250|0.058747|0.052363|0.080294|0.072988|0.099222|0.205318|0.500000| |2.156741|2.943178|1.960524|2.372374|2.627958|2.828912|2.709915|2.443740|2.306097|2.764000|0.081373|3.028757|5.304977|4.695573|7.225714|7.468030|13.507625|12.571943|17.634768|8.828942|0.216872|6.567126|4.747425|4.397895|10.213756|3.100790|0.059514|2.102453|1.805618|1.727748|1.537246|1.464895|1.541327|1.731547|1.856291|2.172194|0.054740|0.057904|0.066527|0.056920|0.050773|0.051102|0.072728|0.083241|0.064102|0.058786|0.080743|0.076867|0.113039|0.179819|0.301448|0.500000| |1.739426|2.327583|1.573314|1.823265|1.993091|2.098037|2.002994|1.836683|1.762027|2.048989|0.060464|2.175174|3.499432|2.977826|5.036556|3.801668|6.573806|6.408753|7.269362|8.674597|0.186851|17.574506|8.667740|5.747194|10.491995|2.421137|0.046683|1.688661|1.490531|1.440601|1.308976|1.259998|1.319142|1.452688|1.530297|1.731428|0.045099|0.047336|0.052941|0.045119|0.041094|0.041826|0.056261|0.061961|0.048685|0.045686|0.059596|0.056118|0.072453|0.117594|0.204254|0.199357|0.500000| |1.754999|2.313746|1.546748|1.807216|2.006948|2.108125|1.972093|1.786936|1.720886|2.010365|0.060254|2.070221|3.267319|2.786281|4.853432|3.387407|5.696862|5.688987|5.617730|8.790662|0.226997|17.572554|8.804557|6.748939|11.433927|2.392999|0.045842|1.703723|1.502225|1.441372|1.312353|1.257036|1.306005|1.431393|1.515901|1.702948|0.045420|0.048429|0.053399|0.043794|0.040432|0.041303|0.057620|0.063422|0.046923|0.044343|0.056692|0.052948|0.066596|0.110536|0.141765|0.148055|0.302655|0.500000| |1.513545|2.054310|1.398142|1.622990|1.767864|1.899967|1.856517|1.695705|1.597580|1.965199|0.058393|2.106672|3.295754|2.854165|5.091440|3.401598|5.527607|5.914117|5.709607|6.657687|0.136601|8.778345|17.557417|8.850659|12.312315|2.372015|0.045401|1.650815|1.469027|1.446985|1.322087|1.288306|1.362813|1.499414|1.554301|1.747616|0.039298|0.041572|0.045148|0.039906|0.037073|0.037033|0.049252|0.056313|0.045618|0.041561|0.059654|0.054028|0.066042|0.120717|0.190015|0.131310|0.218071|0.174214|0.500000| |1.465010|1.961076|1.330899|1.533547|1.676529|1.779407|1.710830|1.563667|1.490281|1.786141|0.053263|1.865051|2.869445|2.439131|4.382257|2.829074|4.670135|4.732858|4.347343|5.689232|0.130584|8.672623|17.591631|8.709751|10.356468|2.177507|0.041737|1.544040|1.382004|1.351882|1.243113|1.207209|1.264382|1.378008|1.433010|1.591393|0.038201|0.040512|0.043731|0.037705|0.035242|0.035523|0.047367|0.053038|0.041779|0.038782|0.052371|0.047964|0.057610|0.097351|0.126997|0.106993|0.193042|0.219302|0.301528|0.500000| |1.514349|2.057333|1.386151|1.642571|1.818818|1.994347|1.943373|1.737590|1.615553|2.107313|0.064305|2.208036|3.367259|2.989463|5.712276|3.306941|5.088156|5.823462|4.698626|5.958733|0.134733|5.730111|8.663554|17.620061|16.706568|2.573623|0.048420|1.818465|1.610447|1.592771|1.453246|1.415914|1.499358|1.652260|1.713516|1.922268|0.039064|0.042226|0.044733|0.039095|0.037052|0.036587|0.050726|0.060426|0.046607|0.041659|0.063711|0.055454|0.065154|0.134504|0.135786|0.105087|0.127103|0.136708|0.218374|0.193532|0.500000| |1.595421|2.132487|1.424005|1.690282|1.892261|2.048760|1.945220|1.732560|1.632158|2.061422|0.063254|2.103065|3.215115|2.816908|5.285957|3.153989|4.951871|5.451951|4.532156|6.691563|0.166240|6.813578|8.785792|17.526626|16.498906|2.505529|0.047205|1.802495|1.591389|1.547988|1.412856|1.362201|1.423437|1.560118|1.638811|1.830640|0.041127|0.044743|0.047471|0.039927|0.037832|0.037792|0.053725|0.062772|0.045864|0.041907|0.059397|0.052868|0.062886|0.120903|0.120023|0.106107|0.137528|0.186385|0.173981|0.217210|0.300724|0.500000| |2.460095|3.645753|2.349798|3.245252|3.739267|4.853634|5.345130|4.162589|3.394474|6.810152|0.215866|4.661042|5.189124|3.668671|7.249252|2.903147|4.692963|3.650654|2.247659|2.166473|0.063173|1.845193|1.769310|1.970576|4.006295|12.458207|0.182802|17.610794|8.792428|6.686736|4.688911|3.761053|3.698823|4.463141|6.352177|7.400564|0.060514|0.072133|0.066843|0.062860|0.066862|0.058698|0.093907|0.144398|0.109039|0.081964|0.128347|0.111737|0.091866|0.078940|0.057799|0.060125|0.048710|0.049624|0.048200|0.045182|0.054317|0.053821|0.500000| |3.075268|4.721669|2.954945|4.414232|5.121496|6.772919|7.511691|5.743059|4.632712|7.388562|0.198505|4.656143|5.249680|3.493738|6.382486|2.851578|4.792175|3.485177|2.178148|2.079920|0.061339|1.785176|1.680269|1.834033|3.728267|12.343602|0.217578|17.690787|8.818424|5.523449|4.096727|3.257471|3.122599|3.627011|4.933396|5.661568|0.074021|0.091130|0.081357|0.077306|0.085174|0.072174|0.121636|0.179927|0.139835|0.107053|0.116443|0.117649|0.097072|0.072851|0.055619|0.059730|0.047661|0.048319|0.045705|0.043038|0.049842|0.050147|0.300723|0.500000| |2.293411|3.414963|2.272467|2.903284|3.110413|3.574109|3.860000|3.492901|3.059710|4.130734|0.113724|3.218672|3.690919|2.553221|4.807525|2.156213|3.619729|2.736001|1.756811|1.705271|0.049490|1.500326|1.445320|1.578613|3.116996|7.630672|0.147652|8.993726|17.573193|8.872116|6.984568|4.684950|3.977238|4.243992|5.745242|4.937822|0.057788|0.067936|0.060320|0.059600|0.066868|0.057436|0.079306|0.098731|0.094575|0.077372|0.087790|0.084830|0.069056|0.058002|0.045855|0.047692|0.040015|0.040744|0.039462|0.037494|0.043585|0.043443|0.217410|0.209786|0.500000| |2.484727|3.862768|2.618914|3.346615|3.403146|3.874251|4.518091|4.404325|3.755723|4.639919|0.116378|3.614108|4.000429|2.643384|4.816819|2.222277|3.801121|2.752586|1.764947|1.680622|0.048574|1.480845|1.416570|1.526982|3.028168|9.189197|0.211155|8.891925|17.511782|8.866974|6.515702|4.541533|3.987402|4.381577|6.081844|5.386212|0.062545|0.072136|0.064525|0.068871|0.079058|0.064825|0.083335|0.100139|0.123959|0.096139|0.095587|0.099768|0.075851|0.057431|0.046197|0.048428|0.039905|0.040017|0.038937|0.036656|0.042026|0.041649|0.173565|0.219210|0.304552|0.500000| |1.811705|2.693759|1.873383|2.210425|2.265298|2.507677|2.760593|2.665687|2.383393|2.995478|0.080485|2.602075|3.001673|2.080623|3.904785|1.790213|3.028665|2.293532|1.496236|1.446592|0.041280|1.295549|1.266134|1.370287|2.657677|5.331583|0.110348|4.579318|7.026355|8.914245|17.707974|8.945904|5.650145|4.965837|5.654626|4.075256|0.046844|0.052491|0.047876|0.049968|0.055583|0.047994|0.058309|0.068435|0.076318|0.063183|0.073545|0.071198|0.056842|0.048585|0.039800|0.040537|0.034780|0.035047|0.034908|0.033070|0.038274|0.037539|0.118391|0.109305|0.205666|0.179992|0.500000| |1.510035|2.229951|1.575289|1.808719|1.842131|2.031377|2.245258|2.187331|1.958744|2.494291|0.067272|2.317601|2.701639|1.894701|3.577718|1.643624|2.773915|2.127312|1.397086|1.346394|0.037886|1.216505|1.205134|1.300566|2.495093|4.229164|0.086940|3.245702|4.096236|5.634003|8.944297|17.732275|8.898072|5.656125|4.951099|3.553549|0.039409|0.043117|0.040448|0.042776|0.046269|0.040652|0.047728|0.055791|0.063941|0.052696|0.067724|0.063990|0.051187|0.045262|0.037704|0.037610|0.032740|0.032719|0.033514|0.031559|0.036744|0.035426|0.087929|0.078217|0.110876|0.106445|0.215934|0.500000| |1.464782|2.169302|1.533480|1.775835|1.815449|2.035215|2.294783|2.219580|1.945150|2.659544|0.071538|2.608836|3.004203|2.115347|4.039015|1.811110|3.028463|2.344082|1.525829|1.452441|0.040349|1.307237|1.306338|1.411704|2.714728|4.436383|0.089651|3.115982|3.546550|4.936243|5.650235|8.891099|17.735204|8.944981|5.638113|4.124823|0.038094|0.041326|0.039764|0.042327|0.044532|0.039385|0.046766|0.056093|0.066053|0.052227|0.079601|0.072073|0.056221|0.050207|0.041614|0.040723|0.035232|0.034779|0.036695|0.034016|0.040282|0.038008|0.086120|0.074012|0.090537|0.090754|0.124203|0.214197|0.500000| |1.668386|2.496871|1.743361|2.097693|2.171128|2.522589|2.957966|2.788516|2.336658|3.703684|0.098293|3.791281|4.122623|2.869479|5.578910|2.342988|3.852309|2.980010|1.882925|1.757841|0.048620|1.550716|1.543011|1.678563|3.296501|6.324489|0.122791|3.962342|4.089754|5.634884|4.964986|5.654919|8.952896|17.697120|8.888747|7.149654|0.042819|0.046750|0.045723|0.048601|0.050169|0.044171|0.055021|0.069567|0.084251|0.061643|0.123959|0.102971|0.074626|0.064293|0.051243|0.049885|0.041753|0.040800|0.043558|0.039634|0.047918|0.044636|0.110253|0.090675|0.097849|0.101700|0.107715|0.124306|0.216120|0.500000| 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