Version2.1 2020-12-16T23:05:23Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 13-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1ccc2c(c1)cc(c(=O)[nH]2)[C@H](c3nnnn3Cc4ccccc4)[NH+]5CCCCCC5 C06198360 RHF 6-31G(d) (6D,7F) CCc1ccc2c(c1)cc(c(=O)[nH]2)[C@H](c3nnnn3Cc4ccccc4)[NH+]5CCCCCC5 C01[X(C26H31N6O1)] 186 C1 557 CCc1ccc2c(c1)cc(c(=O)[nH]2)[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCCCCC1 CCc1ccc2c(c1)cc(c(=O)[nH]2)[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCCCCC1 CCc1ccc2NC(=O)C(=Cc2c1)[C@@H]([NH+]3CCCCCC3)c4nnnn4Cc5ccccc5 InChIKey=SRJHROIPKZXEDK-XMMPIXPASA-O InChI=1S/C26H30N6O/c1-2-19-12-13-23-21(16-19)17-22(26(33)27-23)24(31-14-8-3-4-9-15-31)25-28-29-30-32(25)18-20-10-6-5-7-11-20/h5-7,10-13,16-17,24H,2-4,8-9,14-15,18H2,1H3,(H,27,33)/p+1/t24-/m1/s1 InChI=1/C26H30N6O/c1-2-19-12-13-23-21(16-19)17-22(26(33)27-23)24(31-14-8-3-4-9-15-31)25-28-29-30-32(25)18-20-10-6-5-7-11-20/h5-7,10-13,16-17,24H,2-4,8-9,14-15,18H2,1H3,(H,27,33)/p+1/t24-/m1/s1/fC26H31N6O/h27,31H/q+1 CCc1ccc2c(c1)cc(c(=O)[nH]2)[C@H](c3nnnn3Cc4ccccc4)[NH+]5CCCCCC5 C01[X(C26H31N6O1)] 186 C01 557 CCc1ccc2c(c1)cc(c(=O)[nH]2)[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCCCCC1 CC[C]1[CH][CH][C]2[C]([CH]1)[CH]=C([C]([O])N2)[C@H]([C]1[N][N][N][N]1C[C]1[CH][CH][CH][CH][CH]1)[NH]1CCCCCC1 CC[C]1[CH][CH][C]2N[C]([O])C(=C[C]2[CH]1)[C@H]([C]3[N][N][N]N3C[C]4[CH][CH][CH][CH][CH]4)[NH]5CCCCCC5 InChIKey=HLUBZVXPCPQKOU-XMMPIXPASA-N InChI=1S/C26H31N6O/c1-2-19-12-13-23-21(16-19)17-22(26(33)27-23)24(31-14-8-3-4-9-15-31)25-28-29-30-32(25)18-20-10-6-5-7-11-20/h5-7,10-13,16-17,24,31H,2-4,8-9,14-15,18H2,1H3,(H,27,33)/t24-/m1/s1 InChI=1/C26H31N6O/c1-2-19-12-13-23-21(16-19)17-22(26(33)27-23)24(31-14-8-3-4-9-15-31)25-28-29-30-32(25)18-20-10-6-5-7-11-20/h5-7,10-13,16-17,24,31H,2-4,8-9,14-15,18H2,1H3,(H,27,33)/t24-/m1/s1/f/h27H 3467.3194814060 -1403.9735383 1-A 15080.6376 118 439 557 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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| 16.3378 27.4640 33.9727 37.5181 46.5228 51.9214 52.2639 60.7055 69.6123 87.1451 102.2998 121.7582 139.7142 153.9971 160.1208 171.6397 197.7153 223.7487 228.6442 242.5726 265.5588 280.2197 292.7763 319.6525 324.5628 334.7182 347.4129 374.0988 385.1018 398.8452 418.7142 432.5646 435.9741 455.8029 482.9741 489.0236 492.7193 516.3714 520.1364 563.8872 583.9488 598.8485 634.5503 642.9153 668.2919 674.9842 677.6888 728.1387 752.9460 757.8749 776.3364 796.5236 808.8282 814.4969 821.1950 823.2799 842.2655 848.7845 852.7178 868.5725 887.5470 895.7570 910.9181 919.7892 938.8715 943.9565 961.9097 966.3771 975.1769 1004.9118 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3282.3031 3299.7792 3324.1618 3349.6725 3349.9238 3362.5906 3367.0399 3368.4702 3368.9511 3376.5886 3377.9354 3385.3978 3388.7416 3398.5910 3486.6820 3831.9299 5.1714 4.8834 4.8984 2.7254 3.2358 3.4735 4.4385 4.5233 4.6650 7.2809 4.8987 2.7337 4.6963 2.2740 4.3959 4.6607 4.2541 4.6198 1.7268 2.4538 3.6329 4.1331 2.6961 3.1451 2.3893 3.3646 3.9705 4.6146 2.9949 4.4081 3.3337 3.5432 3.7086 2.9073 3.7749 2.4573 3.5230 3.4030 3.1414 1.9507 5.6778 4.1227 4.7601 5.0014 4.4164 3.0406 6.1999 1.3508 3.9038 4.3652 2.9082 2.6879 2.8385 3.1135 3.8256 1.8587 2.9315 2.4138 1.6702 3.5756 3.8281 3.4585 4.7475 2.7815 1.5587 2.5938 2.5104 1.2562 1.9112 2.2143 2.2597 1.7266 1.5968 2.3986 2.4495 1.7366 2.6790 5.7023 1.4516 1.4067 1.3766 1.7265 2.1360 3.8024 5.8397 1.3475 2.0400 1.8322 3.0907 1.7972 1.7411 1.8505 2.8063 1.8843 2.2714 2.5945 2.6416 1.5897 3.6328 2.1549 1.1730 2.9214 1.4395 1.6906 1.3868 1.8607 1.2810 1.3925 1.8809 2.1429 1.5618 1.1554 1.3130 2.3339 1.4992 1.7504 1.8851 1.3511 1.3504 1.5148 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0.1843 4.4955 4.7026 7.8482 5.9010 6.2377 2.9507 17.1042 7.4983 9.9293 20.3629 7.2009 0.7316 0.8741 73.2335 3.4657 13.4157 14.3908 43.1192 2.4990 53.0829 4.5132 3.6498 8.0332 23.8970 6.1495 10.7507 11.3105 0.9682 13.5467 6.1492 39.6165 12.3946 10.5311 0.6480 33.0735 27.5418 1.3293 6.0204 2.5387 11.4398 1.5067 2.2483 5.4760 3.2794 6.2399 6.9535 1.9012 9.3013 0.3402 20.3786 16.4287 0.1144 0.9087 21.7199 13.6287 2.4273 6.6736 27.5995 15.8521 2.0780 17.5092 13.3026 39.7083 6.1980 21.6034 5.0004 0.4639 3.4614 27.2958 2.1194 6.9274 0.6527 7.6716 6.6273 52.0670 66.7060 0.5190 2.9115 4.6931 0.7391 5.9369 14.6665 49.4403 3.2890 18.9963 6.3674 0.4004 9.0106 42.6234 6.5785 1.3201 2.4547 0.6204 1.6989 3.9834 100.1224 10.7454 252.1764 18.0547 20.5057 52.6409 6.2649 12.0791 1.9374 10.0111 7.7826 5.1642 44.0000 2.9374 15.6964 27.7579 31.2856 82.8350 13.9986 8.9299 85.0631 2.0467 8.7373 0.2335 34.3203 1083.6829 18.5213 33.4188 27.2633 9.2974 27.3433 7.5810 3.0051 4.4462 8.8976 14.6680 39.1201 17.9437 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1.00783 10964.7340 18543.9103 23490.2380 0.99990 0.01210 0.00672 -0.01212 0.99992 0.00271 -0.00669 -0.00279 0.99997 1 0.00790 0.00467 0.00369 0.16460 0.09732 0.07683 23.51 39.51 48.88 53.98 66.94 74.70 75.20 87.34 100.16 125.38 147.19 175.18 201.02 221.57 230.38 246.95 284.47 321.92 328.97 349.01 382.08 403.17 421.24 459.91 466.97 481.58 499.85 538.24 554.08 573.85 602.44 622.36 627.27 655.80 694.89 703.60 708.91 742.94 748.36 811.31 840.17 861.61 912.98 925.01 961.52 971.15 975.04 1047.63 1083.32 1090.41 1116.97 1146.02 1163.72 1171.88 1181.52 1184.52 1211.83 1221.21 1226.87 1249.68 1276.98 1288.79 1310.61 1323.37 1350.83 1358.14 1383.97 1390.40 1403.06 1445.84 1468.58 1472.00 1473.27 1509.22 1528.94 1535.18 1559.91 1567.01 1589.41 1601.03 1602.78 1622.80 1623.61 1627.56 1636.96 1644.44 1648.11 1671.71 1699.02 1706.36 1712.46 1731.50 1754.08 1764.13 1770.16 1790.80 1824.92 1842.48 1849.61 1873.73 1878.41 1894.53 1911.92 1922.28 1929.93 1944.56 1979.98 2000.14 2008.89 2012.80 2032.77 2047.39 2059.52 2065.49 2076.71 2090.99 2115.32 2135.12 2149.51 2153.65 2167.94 2196.95 2201.21 2206.22 2216.03 2234.13 2240.25 2251.53 2266.18 2270.98 2273.62 2309.56 2333.74 2334.77 2340.71 2345.26 2347.79 2351.00 2358.77 2360.28 2364.78 2374.48 2378.25 2393.78 2397.09 2403.45 2405.48 2407.80 2495.43 2557.15 2567.19 2599.35 2602.14 2640.71 2719.89 4601.90 4616.09 4628.73 4634.19 4638.73 4656.72 4672.40 4677.39 4682.28 4693.30 4699.20 4702.95 4706.70 4716.24 4720.44 4722.50 4747.65 4782.73 4819.43 4819.79 4838.02 4844.42 4846.48 4847.17 4858.16 4860.10 4870.83 4875.64 4889.81 5016.56 5513.29 0.587763 0.614630 0.615574 0.527681 -1403.385776 -1403.358908 -1403.357964 -1403.445858 2.947979D-04 MUNgauss RevisionA2.0 retrievium 16-Dec-2020 DUDE CCc1ccc2c(c1)cc(c(=O)[nH]2)[C@H](c3nnnn3Cc4ccccc4)[NH+]5CCCCCC5 C06198360 RHF 6-31G(d) (6D,10F) C1 443.255935 |X|Y|Z| 93.986435 66.664285 42.462045 64.316110 30 6 7 24 6 |36.858105| |12.423277|36.858105| |7.496850|12.580491|36.858105| |5.798239|7.511646|13.541247|36.858105| |4.212541|4.996974|7.824362|13.881022|36.858105| |3.735954|4.411517|6.792937|7.983929|13.659742|36.858105| |4.077797|4.983676|7.863399|6.905399|7.896432|13.693932|36.858105| |5.502966|7.544900|13.875465|8.010128|6.856714|7.891862|13.565216|36.858105| |3.265774|3.794100|5.077187|4.539190|5.134230|7.861286|13.238063|7.631367|36.858105| |2.715885|3.058057|3.921030|3.798010|4.537853|6.794891|7.820139|5.115249|14.172686|36.858105| |2.604216|2.900386|3.750619|3.952783|5.159090|7.826935|6.702042|4.486254|7.822479|12.975519|36.858105| |2.251956|2.456976|3.045940|3.238844|4.091746|5.399885|4.695920|3.489167|5.360909|8.050780|15.651128|73.516695| |2.960766|3.342098|4.550789|5.203618|7.867125|13.783069|7.988547|5.192533|6.992028|7.980877|14.098072|15.141625|53.358707| |2.744672|3.041539|3.992811|4.787626|7.275059|9.225929|5.791809|4.259492|5.116628|5.807540|9.579166|14.102771|25.951057|0.500000| |2.293938|2.534903|3.057902|2.928886|3.333411|4.407820|4.962575|3.816129|7.622729|12.503505|7.396710|11.695524|6.867120|0.116190|36.858105| |2.324016|2.546299|3.009991|2.796718|3.074357|3.952259|4.692222|3.806614|7.252929|8.913995|5.547266|8.741203|5.745670|0.098525|17.630235|0.500000| |2.103343|2.362879|2.798044|2.695435|3.030854|3.842625|4.207812|3.393743|5.762811|7.672898|5.796711|9.715154|5.891838|0.103725|12.636328|0.249302|36.858105| |1.986757|2.237933|2.649256|2.632359|3.012786|3.736145|3.825691|3.100846|4.755629|6.220468|5.725372|10.322681|5.958845|0.109009|7.669906|0.158921|14.747772|53.358707| |1.843433|2.083300|2.404383|2.367681|2.632397|3.128017|3.239679|2.763167|3.852787|4.522088|4.160188|7.394536|4.731811|0.088612|5.344611|0.126002|9.082112|19.446354|53.358707| |1.847748|2.087787|2.374686|2.279530|2.473233|2.925723|3.157494|2.763151|3.833787|4.284680|3.689244|6.352431|4.257788|0.078690|5.281502|0.134761|8.910038|12.174372|20.701958|53.358707| |1.998707|2.250482|2.587781|2.442002|2.651694|3.228851|3.620965|3.109537|4.728448|5.370434|4.204829|7.032950|4.678336|0.084084|7.500589|0.199173|14.277814|12.164380|12.438713|19.521003|53.358707| |1.989179|2.220216|2.488697|2.288577|2.412687|2.877148|3.329759|3.000273|4.293003|4.457743|3.457115|5.714219|4.004390|0.072240|5.883778|0.187447|7.419196|7.250463|7.483537|10.726930|17.726318|36.858105| |2.278280|2.581420|2.876745|2.548177|2.618988|3.122637|3.818730|3.575205|4.937918|4.572385|3.437796|5.431594|4.134833|0.073415|5.321683|0.177097|5.804269|5.964190|5.921673|7.546232|10.414093|12.584257|36.858105| |2.364899|2.616227|2.861723|2.490682|2.518046|2.969463|3.684803|3.567369|4.692680|4.191572|3.171625|5.015277|3.869413|0.068903|4.738859|0.168588|4.546872|4.811372|4.619063|5.494987|7.164306|7.575375|13.729710|36.858105| |2.658156|2.944358|3.121607|2.622296|2.564494|2.953555|3.740656|3.892557|4.441896|3.723060|2.909556|4.543720|3.701694|0.066120|3.843788|0.128623|3.626487|4.053719|3.897031|4.458817|5.416783|5.018246|7.904051|13.714671|36.858105| |2.913271|3.365396|3.500177|2.860591|2.729281|3.088647|3.951614|4.348906|4.409443|3.576261|2.863752|4.418113|3.758534|0.067185|3.501450|0.110195|3.430686|3.971763|3.879650|4.389752|5.103601|4.434746|6.846805|7.936946|13.765766|36.858105| |2.757904|3.296114|3.531791|2.951033|2.861003|3.264247|4.122370|4.369409|4.615281|3.805707|3.055963|4.695328|4.001917|0.071369|3.718539|0.112490|3.885638|4.551250|4.562102|5.248727|5.965372|5.019760|7.919004|6.881976|7.936976|13.709606|36.858105| |2.434443|2.853711|3.166841|2.766060|2.795329|3.282925|4.043918|3.921410|4.890431|4.303081|3.359727|5.215307|4.212091|0.074841|4.500579|0.136096|5.078142|5.702338|5.851928|7.211334|8.573715|7.549121|13.684804|7.939388|6.866287|7.925743|13.775247|36.858105| |2.046486|2.200105|2.605208|2.567560|2.943434|3.725278|3.886291|3.097952|5.155950|7.583952|6.491935|12.709363|6.083537|0.109702|12.568355|0.252651|7.658156|8.422684|6.110612|5.789739|7.279179|4.441203|3.891376|3.660797|3.069933|2.784271|2.881561|3.348328|53.358707| |2.031337|2.190510|2.619388|2.649608|3.117489|3.955606|3.902818|3.059707|4.921423|7.472205|7.826432|18.605653|6.901576|0.127388|9.444177|0.183537|6.981924|8.958636|6.230384|5.548819|6.524350|3.852990|3.434140|3.181477|2.748095|2.564947|2.691845|3.091019|25.419120|0.500000| |1.782031|1.906264|2.193990|2.154283|2.410515|2.913989|3.038705|2.550198|3.827767|4.943440|4.418196|8.746480|4.580126|0.085753|7.551682|0.186607|6.694722|7.737017|6.170332|6.008142|7.304121|4.552413|3.680790|3.432437|2.822499|2.538935|2.634231|3.104802|17.254867|0.255277|36.858105| |1.612493|1.699217|1.932389|1.924894|2.149876|2.523244|2.556864|2.188322|3.049122|3.770225|3.656903|7.546280|3.973495|0.077071|4.874745|0.124618|4.445710|5.704929|4.823059|4.603185|5.169640|3.371296|2.850820|2.729482|2.332860|2.121685|2.176732|2.485629|10.137054|0.190309|12.462432|36.858105| |1.588702|1.646578|1.854505|1.838904|2.030591|2.352806|2.399350|2.088256|2.817748|3.348931|3.225886|6.429794|3.624529|0.070471|4.095449|0.111377|3.544785|4.442054|3.845006|3.765034|4.261495|2.941737|2.593327|2.587278|2.252023|2.022991|2.025369|2.257009|7.954116|0.145312|7.353334|12.432121|36.858105| |1.684633|1.726819|1.958496|1.962082|2.186037|2.529556|2.536884|2.192532|2.924927|3.472224|3.467527|6.969872|3.935162|0.077172|3.953229|0.106154|3.264922|4.129403|3.514723|3.395740|3.838749|2.641267|2.426049|2.451183|2.189993|1.983820|1.969976|2.152024|7.627660|0.147162|5.604267|7.360596|12.413478|36.858105| |1.925704|1.985717|2.306789|2.326480|2.651803|3.163890|3.139452|2.619148|3.675713|4.569037|4.679241|9.563720|5.087286|0.098255|4.993762|0.128579|3.811164|4.770242|3.891891|3.706122|4.266673|2.865839|2.683914|2.695343|2.417447|2.204539|2.197896|2.398502|10.250965|0.205044|5.958664|6.387983|7.331977|12.403587|36.858105| |2.118344|2.219060|2.611154|2.564452|2.909020|3.621410|3.794162|3.085736|4.840521|6.335031|5.611871|10.457978|5.724005|0.104203|7.678389|0.202389|4.992579|5.737787|4.542291|4.424354|5.397313|3.630882|3.404969|3.436436|2.991398|2.668971|2.653789|2.946772|17.186082|0.258466|7.570837|6.244481|6.335290|7.321495|12.449200|36.858105| |17.555320|8.765221|6.782267|5.161744|4.019572|3.756259|4.246645|5.698994|3.476989|2.859270|2.690936|4.125398|4.089856|0.076434|2.420660|0.069052|2.177774|2.760003|2.542705|2.563839|2.811238|2.075536|2.391813|2.536334|2.879657|3.088444|2.839610|2.508954|2.941258|0.058993|1.871665|1.689853|1.679715|1.789665|2.052203|2.274912|0.500000| |17.565103|8.792349|5.480663|4.493420|3.443537|3.102375|3.364503|4.350568|2.809947|2.380354|2.278452|3.558324|3.461839|0.066168|2.059585|0.058240|1.912848|2.466238|2.316073|2.333788|2.505842|1.848402|2.112991|2.199794|2.489314|2.740744|2.580064|2.262000|2.517740|0.050865|1.634885|1.487473|1.468682|1.547495|1.745134|1.908059|0.301212|0.500000| |17.555807|8.750804|6.779395|6.198549|4.473103|3.770592|3.878631|4.885624|3.083950|2.630832|2.597924|4.025100|4.097470|0.079050|2.210414|0.061436|2.022688|2.629998|2.428171|2.407217|2.588637|1.869901|2.102250|2.162335|2.375700|2.559903|2.463353|2.227775|2.726466|0.055806|1.740370|1.589837|1.568808|1.677969|1.923388|2.082707|0.301748|0.301738|0.500000| |8.847307|17.547407|8.924872|7.008000|4.698609|3.981687|4.239563|5.762196|3.308579|2.758876|2.675870|4.090533|4.218036|0.080116|2.316457|0.063945|2.204161|2.891291|2.722180|2.710683|2.870816|2.064551|2.365677|2.357359|2.613367|2.997151|3.017695|2.641317|2.762018|0.056602|1.777520|1.595332|1.538207|1.606630|1.833290|2.023859|0.172945|0.213478|0.210160|0.500000| |8.849644|17.555645|8.928523|5.612391|4.186450|3.966617|4.730642|7.233071|3.804432|3.024013|2.777855|4.196374|4.211479|0.077450|2.559961|0.072595|2.407353|3.065061|2.884639|2.937626|3.180405|2.348653|2.797843|2.861913|3.325989|3.949915|3.792319|3.143395|2.984665|0.059922|1.917119|1.695900|1.641804|1.703581|1.943598|2.197999|0.210806|0.213183|0.172833|0.304495|0.500000| |5.829070|7.001095|8.877825|17.711930|9.025531|5.675950|4.968413|5.683746|3.613380|3.142096|3.305210|5.007592|5.726865|0.113168|2.519827|0.067107|2.353618|3.163568|2.889336|2.780977|2.938330|2.034850|2.243488|2.199143|2.320257|2.529021|2.598961|2.431397|3.072042|0.064823|1.929794|1.749493|1.679306|1.790897|2.091658|2.260987|0.135358|0.129560|0.188230|0.206777|0.142147|0.500000| |3.611731|4.082060|5.591234|8.939904|17.719920|8.870954|5.622995|4.943808|4.169109|3.946822|4.739598|7.096744|9.717778|0.216645|3.015780|0.076529|2.783620|3.862017|3.391201|3.141837|3.312113|2.198303|2.334357|2.236391|2.253655|2.375721|2.495384|2.470683|3.752507|0.082575|2.287772|2.079561|1.962429|2.123571|2.558766|2.720701|0.095124|0.084626|0.109468|0.111229|0.096419|0.217322|0.500000| |5.276564|6.964134|8.957503|5.662426|4.942873|5.637530|8.910394|17.704994|7.030848|4.705768|3.912493|5.576220|5.736263|0.098055|3.748423|0.108484|3.353661|4.064218|3.687533|3.792202|4.326937|3.191528|3.988305|4.122672|4.780339|5.544750|5.240838|4.405426|4.094279|0.080523|2.522740|2.150328|2.064448|2.141009|2.516408|3.005119|0.158707|0.121017|0.123315|0.146312|0.218666|0.124368|0.107357|0.500000| |3.222433|3.723934|4.672990|3.956801|4.171767|5.626756|8.817200|7.031844|17.703471|9.062434|5.568873|7.602756|6.822866|0.110263|7.053601|0.219803|5.547226|5.933093|5.044113|5.295708|6.762883|4.902610|6.228568|6.217430|5.920577|5.681600|5.698040|5.949654|6.451138|0.119515|3.718771|2.937530|2.749291|2.794645|3.390661|4.514587|0.096805|0.078242|0.082398|0.089312|0.108381|0.090050|0.096170|0.213655|0.500000| |1.910815|2.093438|2.336950|2.159830|2.282560|2.715362|3.113895|2.800411|4.022212|4.276823|3.338093|5.630959|3.822134|0.069377|5.947751|0.203628|6.622382|6.494883|6.367778|8.251076|12.467584|17.603843|8.856537|7.314085|4.772851|3.979296|4.181529|5.577789|6.540385|0.110954|5.201310|3.774589|3.334789|2.916842|3.104188|3.995476|0.055886|0.049362|0.050099|0.053839|0.061145|0.053550|0.058099|0.082589|0.127018|0.500000| |1.830960|2.039402|2.247188|2.079784|2.174887|2.532094|2.867526|2.641882|3.513289|3.619900|2.962902|4.986278|3.515035|0.064570|4.507981|0.136211|5.728501|6.327669|7.139013|10.753890|12.796163|17.639835|8.839327|5.979513|4.341876|3.986499|4.578776|6.627835|4.992005|0.091219|3.897054|3.035339|2.654491|2.367176|2.513013|3.057731|0.052652|0.047728|0.047884|0.053300|0.060041|0.052015|0.055620|0.077832|0.108669|0.303455|0.500000| |2.187055|2.363951|2.579051|2.286192|2.332993|2.740706|3.308511|3.152494|4.199933|3.947603|3.034810|4.911742|3.649780|0.065629|4.682391|0.173040|4.332973|4.580137|4.351553|5.116632|6.675656|7.020134|8.897367|17.689450|8.922759|5.649664|4.954689|5.638752|5.189070|0.089811|3.681352|2.930908|2.831335|2.643198|2.852876|3.665670|0.065565|0.056657|0.056126|0.059347|0.070733|0.056494|0.058230|0.098653|0.147018|0.224975|0.155928|0.500000| |2.645058|2.835877|2.940977|2.476301|2.401999|2.722207|3.385894|3.577215|3.898763|3.318067|2.660115|4.200473|3.413837|0.061592|3.403422|0.113329|3.131720|3.563847|3.405639|3.821602|4.556566|4.095610|5.634170|8.910585|17.724852|8.912577|5.641920|4.949188|3.861723|0.070603|2.622157|2.215565|2.187293|2.145457|2.345657|2.862376|0.080976|0.069416|0.065511|0.069547|0.088728|0.061471|0.058994|0.121279|0.138477|0.113634|0.100745|0.215739|0.500000| |3.150554|3.622923|3.574611|2.865529|2.656727|2.916796|3.674907|4.271447|3.858677|3.136575|2.597876|4.026626|3.493348|0.063132|3.000166|0.092484|2.912247|3.465066|3.384392|3.744063|4.230986|3.547331|4.938932|5.643820|8.919342|17.723340|8.899713|5.641962|3.350340|0.063770|2.246115|1.916839|1.847155|1.830317|2.026461|2.403606|0.092780|0.083815|0.075310|0.089162|0.122780|0.071271|0.064290|0.154143|0.131488|0.090572|0.090779|0.124227|0.214754|0.500000| |2.829566|3.475579|3.636685|3.034337|2.884886|3.194676|3.929545|4.308424|4.111865|3.422830|2.866228|4.418152|3.861032|0.069669|3.250618|0.094934|3.437569|4.209384|4.277645|4.786398|5.158059|4.094307|5.640425|4.957510|5.645697|8.899905|17.727487|8.939836|3.516893|0.068419|2.366242|1.990442|1.850606|1.811395|2.017706|2.384505|0.079009|0.074209|0.069970|0.090449|0.112663|0.075026|0.070072|0.140088|0.132022|0.096145|0.107624|0.107569|0.124053|0.214580|0.500000| |2.288647|2.699065|3.011795|2.704305|2.768644|3.225644|3.810812|3.620303|4.469157|4.126338|3.352174|5.269673|4.213561|0.075696|4.303224|0.122508|5.270131|6.274336|6.856647|8.632855|9.162397|6.992654|8.888436|5.642793|4.948085|5.642119|8.934250|17.710760|4.428386|0.085406|3.055626|2.459743|2.193026|2.081360|2.313219|2.791084|0.064522|0.059192|0.058872|0.070850|0.081241|0.066500|0.068828|0.108033|0.139293|0.140450|0.185352|0.123907|0.107453|0.124156|0.216011|0.500000| |1.736760|1.878881|2.160720|2.129565|2.385276|2.869644|2.970559|2.498745|3.699935|4.751689|4.322632|8.580658|4.519116|0.085112|7.104964|0.167034|7.926838|9.852984|7.857564|7.399405|8.614058|4.901778|3.776630|3.358373|2.752966|2.526219|2.690219|3.241481|12.459788|0.224664|17.697828|8.932276|5.467374|4.376202|4.656189|5.587148|0.050191|0.044385|0.047077|0.049066|0.052596|0.053115|0.063126|0.068487|0.099457|0.148476|0.119166|0.097395|0.069963|0.061840|0.067600|0.091237|0.500000| |1.776680|1.894211|2.154550|2.078716|2.281986|2.737644|2.938990|2.521011|3.736412|4.558421|3.863165|7.210897|4.147668|0.076996|6.989196|0.202626|6.158081|6.656356|5.654726|5.898295|7.485731|5.136300|4.056262|3.883264|3.096839|2.704407|2.760332|3.269767|12.400053|0.180302|17.581032|8.802731|6.855329|5.102896|5.176810|6.882038|0.052164|0.045477|0.047810|0.048829|0.053459|0.051777|0.059585|0.070696|0.105455|0.178370|0.120147|0.120790|0.080240|0.065898|0.067790|0.087350|0.301022|0.500000| |1.603390|1.691151|1.934181|1.957131|2.214768|2.588757|2.553566|2.167823|2.982122|3.734061|3.849091|8.402662|4.178867|0.082722|4.556065|0.111562|4.223538|5.762425|4.796823|4.399888|4.788658|3.041708|2.622811|2.486555|2.164060|2.003984|2.072911|2.348702|9.325080|0.204180|8.833162|17.535584|8.744328|6.943019|6.465383|5.715373|0.046400|0.040998|0.044236|0.044334|0.046504|0.049550|0.060278|0.058352|0.077907|0.091268|0.076733|0.072620|0.056989|0.050645|0.053276|0.065338|0.212265|0.173083|0.500000| |1.498443|1.581255|1.778781|1.766957|1.953087|2.259995|2.298001|1.999718|2.706414|3.249821|3.134914|6.328999|3.499786|0.068280|4.146469|0.108399|4.068061|5.329204|4.747189|4.586646|4.990660|3.294924|2.729120|2.591249|2.209743|2.015892|2.078338|2.383756|7.583960|0.144669|9.143166|17.559354|8.883298|5.485968|4.700587|4.690049|0.043434|0.038654|0.040950|0.041471|0.044041|0.044911|0.052606|0.054943|0.073459|0.102700|0.084797|0.077390|0.058255|0.050635|0.052966|0.066081|0.229227|0.212607|0.305589|0.500000| |1.459296|1.506288|1.679496|1.671169|1.833279|2.088042|2.114687|1.867272|2.430972|2.825703|2.764632|5.494673|3.188538|0.062809|3.351692|0.091368|3.026561|3.888170|3.460479|3.387893|3.734119|2.600322|2.299860|2.292659|2.018629|1.827298|1.830463|2.025911|6.051993|0.115503|5.511192|8.897498|17.578557|8.907855|5.480922|4.676800|0.042687|0.037700|0.040123|0.039318|0.041711|0.042772|0.049588|0.051320|0.066111|0.081049|0.066629|0.069386|0.054733|0.046691|0.046818|0.055012|0.125796|0.145984|0.201751|0.227951|0.500000| |1.611295|1.667631|1.866276|1.824599|1.990285|2.308671|2.407763|2.118210|2.862705|3.327284|3.073666|5.892175|3.479305|0.066734|4.155782|0.119293|3.561358|4.306248|3.781123|3.810857|4.405944|3.158018|2.781232|2.833392|2.437265|2.147065|2.123518|2.368454|7.613813|0.130794|7.081071|8.882565|17.515638|8.796773|6.215267|6.242343|0.047598|0.041475|0.043881|0.043068|0.046546|0.046194|0.052883|0.058970|0.079508|0.102603|0.078667|0.088418|0.066222|0.054216|0.053356|0.063065|0.144978|0.217211|0.173541|0.205403|0.306219|0.500000| |1.591658|1.627180|1.838789|1.865258|2.084439|2.372986|2.331917|2.027110|2.621250|3.085452|3.201105|6.570664|3.714478|0.074520|3.398876|0.089642|2.915551|3.810864|3.279421|3.126160|3.447704|2.351623|2.166557|2.168344|1.960605|1.801808|1.800392|1.955895|6.277675|0.129225|4.646712|6.289595|8.844786|17.564072|8.941885|5.484859|0.046650|0.040725|0.044347|0.042361|0.044352|0.047702|0.057047|0.054578|0.068948|0.070912|0.059407|0.064111|0.053327|0.046513|0.046463|0.053067|0.107377|0.115239|0.185704|0.138908|0.227078|0.175485|0.500000| |1.672364|1.694948|1.902479|1.890935|2.077266|2.376605|2.412004|2.122435|2.753205|3.153736|3.086857|5.967658|3.602070|0.070414|3.519055|0.098090|2.910605|3.638583|3.154681|3.097663|3.508826|2.482852|2.322164|2.398867|2.168071|1.948293|1.906059|2.055937|6.288227|0.118635|4.573161|5.484601|8.897190|17.556987|8.840679|6.246679|0.049692|0.042813|0.046209|0.043655|0.046547|0.048130|0.055828|0.058061|0.074261|0.076555|0.062037|0.072585|0.059890|0.050258|0.048626|0.054702|0.101985|0.123993|0.139798|0.124004|0.206133|0.225665|0.305294|0.500000| |1.902037|1.977486|2.316798|2.383738|2.774303|3.310743|3.164565|2.602863|3.632118|4.648683|5.213694|11.814991|5.572266|0.110643|4.899350|0.118951|3.890553|5.106662|4.094687|3.784136|4.257610|2.769863|2.577871|2.526285|2.275481|2.115904|2.145648|2.349990|10.012146|0.239567|5.744770|6.268006|6.189770|8.760237|17.561247|8.920608|0.055663|0.047804|0.053143|0.051143|0.053378|0.059637|0.075609|0.068347|0.090530|0.081470|0.068044|0.072839|0.060685|0.054120|0.055288|0.063990|0.132377|0.130300|0.201607|0.129406|0.137301|0.140377|0.226340|0.175412|0.500000| |2.008493|2.038747|2.364299|2.394641|2.719382|3.196576|3.148242|2.656940|3.563813|4.223295|4.385552|8.546307|5.036315|0.098063|4.282679|0.113351|3.305683|4.156417|3.453577|3.309548|3.780523|2.587617|2.495808|2.549559|2.343606|2.146766|2.114048|2.259916|7.681088|0.155595|4.516291|4.703463|5.479371|8.884764|17.572817|8.994826|0.059883|0.050384|0.056118|0.052047|0.055008|0.059988|0.073038|0.070545|0.091109|0.077035|0.063397|0.074536|0.063980|0.055473|0.054201|0.060164|0.103408|0.114817|0.132650|0.103558|0.124056|0.137909|0.205844|0.227334|0.307086|0.500000| |2.050273|2.133444|2.459724|2.367760|2.612679|3.181130|3.442813|2.910372|4.388971|5.266511|4.433352|7.955471|4.787902|0.087506|6.697273|0.206221|4.612690|5.153747|4.256565|4.298039|5.320960|3.792173|3.551473|3.723231|3.188027|2.754507|2.682228|2.975300|12.354703|0.181644|7.226580|5.956046|6.634127|6.967324|8.693360|17.602451|0.061611|0.051730|0.055474|0.053896|0.059436|0.058377|0.067497|0.080922|0.121328|0.121144|0.088382|0.115286|0.086009|0.068626|0.066110|0.076907|0.145826|0.215644|0.139899|0.129766|0.135079|0.208952|0.140291|0.182826|0.174365|0.197459|0.500000| 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