Version2.0 2020-07-18T16:40:50Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 01-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(c2cc(c(=O)[nH]c2c1)C[NH+](C[C@H]3CCCO3)[C@@H](c4nnnn4C5CCCCC5)C(C)C)C C33937253 RHF 6-31G(d) (6D,7F) Cc1cc(c2cc(c(=O)[nH]c2c1)C[NH+](C[C@H]3CCCO3)[C@@H](c4nnnn4C5CCCCC5)C(C)C)C C01[X(C28H41N6O2)] 225 C1 622 CC([C@H](c1nnnn1C1CCCCC1)[NH+](Cc1cc2c(C)cc(cc2[nH]c1=O)C)C[C@H]1CCCO1)C CC([C@H](c1nnnn1C1CCCCC1)[NH+](Cc1cc2c(C)cc(cc2[nH]c1=O)C)C[C@H]1CCCO1)C CC(C)[C@@H]([NH+](C[C@H]1CCCO1)CC2=Cc3c(C)cc(C)cc3NC2=O)c4nnnn4C5CCCCC5 InChIKey=KAJRDQYTUXNHJB-ZEQKJWHPSA-O InChI=1S/C28H40N6O2/c1-18(2)26(27-30-31-32-34(27)22-9-6-5-7-10-22)33(17-23-11-8-12-36-23)16-21-15-24-20(4)13-19(3)14-25(24)29-28(21)35/h13-15,18,22-23,26H,5-12,16-17H2,1-4H3,(H,29,35)/p+1/t23-,26-/m1/s1 InChI=1/C28H40N6O2/c1-18(2)26(27-30-31-32-34(27)22-9-6-5-7-10-22)33(17-23-11-8-12-36-23)16-21-15-24-20(4)13-19(3)14-25(24)29-28(21)35/h13-15,18,22-23,26H,5-12,16-17H2,1-4H3,(H,29,35)/p+1/t23-,26-/m1/s1/fC28H41N6O2/h29,33H/q+1 Cc1cc(c2cc(c(=O)[nH]c2c1)C[NH+](C[C@H]3CCCO3)[C@@H](c4nnnn4C5CCCCC5)C(C)C)C C01[X(C28H41N6O2)] 225 C01 622 CC([C@H](c1nnnn1C1CCCCC1)[NH+](Cc1cc2c(C)cc(cc2[nH]c1=O)C)C[C@H]1CCCO1)C C[C]1[CH][C]([C]2[C]([CH]1)N[C]([O])C(=[CH]2)C[NH]([C@@H]([C]1[N][N][N][N@]1C1CCCCC1)C(C)C)C[C@H]1CCCO1)C C[C]1[CH][C](C)[C]2C=C(C[NH](C[C@H]3CCCO3)[C@@H]([C]4[N][N][N]N4C5CCCCC5)C(C)C)[C]([O])N[C]2[CH]1 InChIKey=MCOSCEXRLAYWLI-ZEQKJWHPSA-N InChI=1S/C28H41N6O2/c1-18(2)26(27-30-31-32-34(27)22-9-6-5-7-10-22)33(17-23-11-8-12-36-23)16-21-15-24-20(4)13-19(3)14-25(24)29-28(21)35/h13-15,18,22-23,26,33H,5-12,16-17H2,1-4H3,(H,29,35)/t23-,26-/m1/s1 InChI=1/C28H41N6O2/c1-18(2)26(27-30-31-32-34(27)22-9-6-5-7-10-22)33(17-23-11-8-12-36-23)16-21-15-24-20(4)13-19(3)14-25(24)29-28(21)35/h13-15,18,22-23,26,33H,5-12,16-17H2,1-4H3,(H,29,35)/t23-,26-/m1/s1/f/h29H 4176.6948611841 -1560.4120582 1-A 20687.9774 133 489 622 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.68435 -20.63753 -15.81337 -15.77636 -15.74526 -15.73236 -15.72261 -15.69531 -11.46619 -11.43275 -11.42962 -11.41674 -11.41389 -11.41210 -11.39971 -11.38936 -11.38268 -11.37821 -11.35850 -11.35411 -11.34973 -11.34849 -11.34206 -11.34027 -11.33218 -11.32367 -11.32352 -11.32150 -11.32098 -11.31982 -11.31329 -11.31191 -11.31096 -11.30876 -11.30508 -11.30219 -1.61474 -1.51256 -1.50707 -1.44866 -1.38715 -1.37633 -1.31086 -1.26070 -1.23198 -1.22272 -1.21394 -1.18906 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2.2643 3.4464 1.9413 3.9699 2.2656 4.1120 3.7432 5.2998 5.0197 4.1089 5.5708 1.5536 4.1379 3.7757 4.1671 2.6564 2.2736 2.6394 2.5322 2.1416 1.5527 2.3973 1.9216 1.7911 1.8066 1.3144 2.3043 1.6237 1.7437 1.4587 1.6664 4.4605 1.5869 3.1000 1.8181 1.7656 2.1285 1.9284 2.5147 2.0004 1.6736 3.0271 2.5218 1.4110 7.6740 1.5343 1.5809 1.4340 2.2606 1.7682 2.1781 2.4815 2.7174 2.1258 4.0093 2.6730 3.6235 3.2219 2.6901 1.7964 1.7175 2.6365 1.5498 1.4095 1.3089 1.3949 2.2239 1.3091 2.0595 1.7700 1.3830 1.3193 1.4086 1.3313 2.1952 1.2678 1.4879 1.2773 2.9719 1.3477 1.3372 1.2799 1.3860 1.3929 1.2985 1.9304 1.5064 1.6007 1.4978 1.5426 1.3696 1.3730 1.6084 1.2776 1.3691 1.2808 1.7661 1.4424 1.7943 1.9665 1.3893 1.4575 1.7285 1.1403 1.0439 1.1059 1.0962 1.0485 1.0978 1.1279 1.1479 1.1454 1.1040 1.1059 1.2546 1.3588 1.1080 1.1465 1.3066 1.1173 1.4480 2.5154 1.1077 1.1038 8.1019 6.2883 6.0476 5.7698 5.8080 1.0722 1.0851 1.0744 1.0652 1.0440 1.0669 1.0396 1.0375 1.0423 1.0683 1.0624 1.0652 1.0674 1.0912 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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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 9154.1830 29252.3384 34336.5480 0.99998 0.00653 0.00131 -0.00654 0.99996 0.00611 -0.00127 -0.00612 0.99998 1 0.00946 0.00296 0.00252 0.19715 0.06170 0.05256 24.50 26.83 42.27 51.25 51.89 60.57 68.13 99.28 106.48 110.88 126.46 130.36 133.80 152.92 190.82 200.20 202.47 214.85 239.93 249.55 252.53 289.40 313.97 338.85 348.50 356.75 364.33 374.76 385.67 402.79 427.92 432.75 445.85 463.38 503.11 517.87 530.75 567.74 612.47 625.48 639.88 647.51 661.64 675.25 695.73 717.85 732.43 769.64 786.49 803.71 811.29 849.80 866.29 869.88 880.66 930.52 951.67 1035.59 1047.75 1059.21 1109.75 1158.04 1180.01 1181.06 1203.32 1236.02 1243.88 1247.61 1256.03 1282.10 1294.64 1322.73 1329.59 1338.91 1355.13 1369.08 1370.99 1395.22 1397.91 1404.77 1428.29 1439.11 1456.31 1457.29 1475.81 1486.44 1502.14 1511.57 1517.35 1553.48 1572.55 1579.80 1581.89 1587.52 1607.97 1610.59 1633.28 1642.06 1650.81 1662.07 1684.58 1685.88 1686.43 1695.68 1730.32 1735.54 1757.94 1782.66 1794.68 1808.68 1820.14 1838.10 1839.42 1847.18 1858.30 1866.90 1890.63 1896.09 1908.82 1926.83 1948.62 1964.43 1982.26 1984.73 2008.84 2014.98 2019.05 2020.08 2039.85 2051.20 2072.71 2082.60 2109.01 2120.69 2127.75 2131.03 2141.69 2163.14 2164.48 2170.48 2178.32 2187.17 2190.69 2200.50 2204.03 2219.47 2228.47 2240.88 2250.36 2252.79 2255.70 2257.83 2264.12 2268.44 2278.68 2290.06 2293.68 2327.41 2334.74 2340.26 2343.81 2347.37 2350.89 2351.28 2352.18 2354.89 2357.58 2360.49 2365.78 2368.05 2369.79 2371.90 2375.60 2381.27 2388.74 2394.57 2406.61 2413.13 2427.50 2482.37 2538.10 2615.39 2617.64 2703.23 4579.97 4586.83 4587.64 4613.01 4618.11 4620.50 4621.99 4625.22 4630.71 4631.87 4640.14 4666.75 4679.89 4681.79 4684.34 4687.83 4697.63 4701.98 4703.33 4709.71 4713.96 4719.82 4726.77 4734.27 4737.56 4741.24 4745.52 4747.62 4750.82 4752.90 4755.23 4758.72 4763.38 4820.22 4845.54 4850.62 4851.84 4898.33 4913.65 5212.74 5518.80 0.726953 0.759631 0.760575 0.660162 -1559.685105 -1559.652427 -1559.651483 -1559.751896 3.367869D-04 MUNgauss RevisionA2.0 retrievium 18-Jul-2020 DUDE Cc1cc(c2cc(c(=O)[nH]c2c1)C[NH+](C[C@H]3CCCO3)[C@@H](c4nnnn4C5CCCCC5)C(C)C)C C33937253 RHF 6-31G(d) (6D,10F) C1 493.329100 |X|Y|Z| 123.284548 64.107585 37.136556 66.456872 30 6 7 8 23 6 1 |36.858105| |12.633615|36.858105| |7.562735|13.534359|36.858105| |5.020140|7.837672|13.901952|36.858105| |4.424183|6.807591|7.943120|13.435245|36.858105| |3.317448|4.498746|5.092356|7.574577|13.245648|36.858105| |2.925994|3.784654|3.943056|5.092572|7.828445|14.155861|36.858105| |3.085708|3.951069|3.783990|4.473219|6.704235|7.836742|13.098807|36.858105| |2.658725|3.232309|3.063405|3.476962|4.689651|5.374229|8.131872|15.597413|73.516695| |3.875287|5.211035|4.606284|5.170358|7.964161|6.983058|8.006214|14.094594|15.038718|53.358707| |3.814858|4.820648|4.046135|4.250121|5.783354|5.111990|5.816567|9.540907|13.914610|25.960456|0.500000| |5.028444|7.959233|6.919661|7.855208|13.647295|7.861160|6.816056|7.839800|9.571664|18.752372|0.256614|36.858105| |7.585990|13.861949|7.933380|6.781363|7.831259|5.119600|4.546923|5.179229|7.275591|10.783175|0.204640|13.653367|36.858105| |2.382555|2.925354|3.063713|3.789616|4.966271|7.576402|12.719533|7.649018|12.271531|6.987106|0.118089|4.446759|3.355990|36.858105| |2.149212|2.568766|2.634686|3.126000|3.917795|5.232374|7.528238|6.263262|11.940480|5.981364|0.107267|3.716904|2.940819|12.486627|53.358707| |2.240463|2.677452|2.675352|3.115904|3.980629|5.048423|7.538512|7.569543|16.629152|6.850600|0.125137|3.993859|3.147510|9.505978|25.599135|0.500000| |1.862186|2.168692|2.213545|2.558722|3.065797|3.856374|5.010679|4.521376|9.101469|4.663678|0.087306|2.952625|2.440967|7.645984|17.197766|0.260328|36.858105| |1.727600|1.975071|1.978544|2.225579|2.624161|3.117106|3.903248|3.869714|8.216420|4.173693|0.081234|2.617307|2.227473|5.018465|10.230282|0.207752|12.513769|36.858105| |1.816049|2.077204|2.047282|2.283194|2.728226|3.181987|4.065723|4.317606|9.845369|4.612922|0.091499|2.801206|2.382553|4.925820|9.666687|0.233220|8.915642|17.493073|0.500000| |1.543939|1.738221|1.740139|1.931760|2.225750|2.582756|3.103896|3.086679|6.393890|3.471930|0.068551|2.222220|1.935186|3.860840|6.667261|0.133394|7.489086|12.473227|0.245911|36.858105| |1.439971|1.601819|1.594442|1.746632|1.985673|2.249032|2.635777|2.668216|5.472283|3.096460|0.062029|2.000155|1.773380|3.104888|5.314078|0.109562|5.100808|8.070882|0.191904|12.455049|36.858105| |1.482127|1.655195|1.657376|1.824746|2.072221|2.360031|2.750276|2.740057|5.519182|3.177952|0.063082|2.068499|1.826496|3.227031|5.804383|0.117880|5.277974|8.162896|0.185098|7.968761|12.435532|36.858105| |1.651597|1.874448|1.886536|2.111011|2.444468|2.861665|3.438619|3.364917|6.827395|3.764670|0.073426|2.419576|2.087690|4.196021|8.445511|0.167617|7.896909|13.559681|0.258617|8.186703|8.053665|13.347060|73.516695| |2.083970|2.469961|2.570618|3.040962|3.659002|4.710317|5.788470|4.839199|8.636886|5.148590|0.093288|3.391246|2.756453|7.257227|16.906908|0.254817|7.584293|5.931460|0.150631|4.120315|3.599609|4.291830|11.121821|36.858105| |1.889140|2.194513|2.257114|2.602266|3.054793|3.740164|4.488929|4.042833|7.597363|4.434080|0.082971|2.908367|2.436155|5.530321|12.532206|0.213901|7.736850|7.047837|0.168289|4.703841|4.246478|5.489860|15.773966|17.725829|0.500000| |2.003839|2.368047|2.546076|3.062524|3.526406|4.610875|5.069000|3.963743|6.719184|4.438806|0.079868|3.100024|2.556069|6.376903|10.375024|0.158782|5.929081|4.505301|0.111221|3.510419|3.071323|3.569627|8.388467|12.654861|0.250258|36.858105| |2.164653|2.596342|2.885479|3.598128|4.066154|5.526513|5.457759|3.995621|6.397327|4.602476|0.081070|3.366385|2.749951|6.318625|8.209632|0.133697|4.686024|3.610501|0.092567|2.947063|2.584044|2.889152|6.437016|7.659510|0.159061|14.674523|53.358707| |1.952476|2.290033|2.562947|3.115102|3.329482|4.205511|4.037768|3.147548|5.146896|3.759406|0.067719|2.794072|2.367683|4.603937|6.038664|0.102269|3.867308|3.101366|0.078587|2.656870|2.363706|2.628973|5.620345|5.341577|0.126071|9.054428|19.506057|53.358707| |1.753781|2.023196|2.215448|2.614185|2.806980|3.441176|3.467381|2.829207|4.789200|3.366688|0.061794|2.447632|2.105201|4.074396|5.788577|0.097954|3.959685|3.250714|0.080218|2.819710|2.536185|2.876707|6.100271|5.282023|0.134877|8.905998|12.202879|20.675344|53.358707| |1.769119|2.046177|2.197233|2.579331|2.859567|3.544306|3.778881|3.121452|5.415187|3.616176|0.066593|2.552111|2.172733|4.633179|7.334639|0.119858|5.027002|4.081259|0.097834|3.385564|3.030581|3.569531|7.963275|7.485916|0.198906|14.263438|12.172474|12.436117|19.587011|53.358707| |1.580618|1.796446|1.896671|2.169032|2.386777|2.846136|3.079048|2.689758|4.826127|3.153614|0.059403|2.198055|1.909935|3.710712|6.122586|0.105298|4.670710|4.185733|0.097518|3.614349|3.372319|4.156346|8.855415|5.846062|0.186039|7.378113|7.224511|7.460596|10.711703|17.566670|36.858105| |1.455719|1.641568|1.733003|1.968733|2.144941|2.537311|2.730309|2.400478|4.330062|2.833156|0.053689|1.980200|1.735892|3.325854|5.193000|0.090275|4.283030|3.836376|0.088451|3.605613|3.307883|3.829696|7.613243|4.340903|0.132529|5.256625|5.824807|6.338344|8.770270|10.501256|12.437288|36.858105| |1.320686|1.470622|1.535790|1.714904|1.856608|2.140364|2.303568|2.093828|3.832169|2.507052|0.048226|1.745849|1.553878|2.722543|4.267153|0.077422|3.568640|3.482683|0.081275|3.462320|3.384999|3.941856|7.130933|3.485081|0.109584|3.850079|4.399040|4.657696|5.913304|6.783085|7.566754|12.431660|36.858105| |1.273037|1.408013|1.471570|1.630453|1.743822|1.977519|2.092201|1.916710|3.477846|2.333993|0.045063|1.641800|1.476492|2.390784|3.710360|0.068683|2.943558|2.916276|0.070544|2.834489|2.869055|3.396998|6.068639|3.126604|0.097420|3.449618|4.032599|4.326576|5.455574|6.012716|6.463196|7.522290|12.444540|36.858105| |1.355027|1.503335|1.569369|1.740764|1.868418|2.116063|2.239420|2.056013|3.721285|2.505267|0.048310|1.761111|1.580344|2.524901|4.011104|0.074675|3.061784|3.059788|0.074866|2.836800|2.906665|3.610904|6.635664|3.571873|0.113712|3.892118|4.428368|4.648039|5.855710|6.780959|7.567070|6.439313|7.541240|12.445988|36.858105| |1.502264|1.687604|1.781857|2.008273|2.163258|2.496938|2.624879|2.343763|4.171423|2.830553|0.053806|2.002620|1.773153|2.982309|4.748793|0.085985|3.476010|3.289814|0.080336|2.912227|2.856119|3.523155|7.017106|4.512776|0.140059|5.365450|5.893541|6.313845|8.584699|10.493004|12.438337|7.514488|6.439371|7.522784|12.432378|36.858105| |2.310544|2.757208|2.836154|3.319208|4.016574|4.850444|5.636276|5.091232|8.717299|5.734341|0.104074|3.810204|3.104786|5.608239|10.053398|0.204522|4.968548|4.457257|0.124583|3.295407|3.044711|3.597206|8.493438|12.291275|0.248870|7.487282|8.351638|6.081854|5.748448|7.155319|4.365774|3.346363|2.843944|2.689112|3.141198|3.865368|36.858105| |2.273988|2.662651|2.623991|2.944925|3.569674|4.020623|4.823785|5.112118|9.657916|5.873958|0.112959|3.674443|3.079734|4.666659|8.449409|0.206128|4.605546|4.654530|0.141776|3.409770|3.263246|3.847513|8.883778|7.472165|0.196899|4.891408|5.666674|4.501496|4.377375|5.299297|3.560406|2.868178|2.560636|2.427967|2.806408|3.228721|12.400201|36.858105| |2.119585|2.465046|2.568200|2.938410|3.322103|3.797663|4.021548|3.661001|6.265129|4.439404|0.082688|3.113356|2.670452|4.026281|6.632501|0.130457|3.828210|3.583971|0.097418|2.823175|2.714414|3.277918|7.247643|7.567808|0.191870|6.511088|7.501082|6.057157|5.950596|7.212315|4.568312|3.363645|2.904812|2.882736|3.539951|4.492999|12.406338|7.614472|36.858105| |3.798335|4.996406|7.616891|12.606566|7.472499|6.372957|4.394553|3.644228|5.271509|5.247439|0.090820|4.987948|4.409571|3.580239|4.030910|0.079230|2.471956|2.126014|0.059309|1.863921|1.684174|1.767639|3.622041|2.957341|0.070457|3.155330|5.286028|4.776505|3.888889|3.688968|2.244260|2.051873|1.768863|1.687366|1.791847|2.088105|3.123792|2.678801|2.870308|36.858105| |17.557729|8.883957|6.757104|4.623713|3.980232|3.071853|2.705885|2.806317|4.338695|4.655867|0.093069|4.321353|5.915877|2.244114|2.733549|0.057658|1.762855|1.630630|0.047357|1.471663|1.369055|1.400788|2.761562|1.935793|0.048922|1.882773|2.778538|2.536315|2.279863|2.282406|1.501261|1.395908|1.267740|1.220011|1.289436|1.425130|2.104756|2.057129|1.938499|3.673289|0.500000| |17.599148|8.834663|5.559980|4.155900|3.946523|3.059393|2.797715|3.051446|4.766003|5.277871|0.110907|4.744747|7.261076|2.295997|2.856642|0.061500|1.830133|1.718478|0.050609|1.539644|1.442540|1.478472|2.914812|2.021258|0.051319|1.915672|2.772888|2.495494|2.265446|2.306950|1.528762|1.409295|1.286723|1.239456|1.319224|1.452478|2.244069|2.260756|2.048711|3.219203|0.301397|0.500000| |17.557766|8.881227|6.768904|4.625550|3.977971|3.068090|2.702165|2.804648|4.342059|4.652771|0.093058|4.316246|5.905659|2.232658|2.782038|0.058891|1.773259|1.652566|0.048025|1.477103|1.387640|1.438468|2.840862|2.020346|0.051062|1.955386|2.876925|2.615183|2.353376|2.364379|1.555287|1.426892|1.297667|1.260217|1.347018|1.493551|2.262512|2.216890|2.118830|3.675547|0.302340|0.301336|0.500000| |7.082600|8.896705|17.718812|9.002928|5.642092|4.120291|3.285718|3.127781|4.650230|4.976153|0.091778|4.976458|5.660894|2.671452|3.174879|0.065214|1.996688|1.796076|0.051259|1.597215|1.472497|1.530665|3.067729|2.304702|0.056867|2.320003|3.581041|3.265673|2.836545|2.777644|1.773761|1.631545|1.452862|1.400799|1.489189|1.683687|2.518641|2.327598|2.342313|7.091724|0.193514|0.141370|0.194259|0.500000| |2.990924|3.901420|4.635874|6.920741|8.765886|17.751769|9.119088|5.597579|7.655735|6.821405|0.110252|5.612301|4.145177|6.980307|6.669763|0.123899|3.745491|2.979822|0.082115|2.504250|2.179886|2.300392|4.935642|4.642486|0.102397|5.021915|9.102538|6.950053|5.360895|5.287829|3.018563|2.705161|2.240767|2.069679|2.203311|2.639747|4.556935|3.623811|3.760976|7.226195|0.078425|0.075863|0.078341|0.109794|0.500000| |6.984305|8.927646|5.628035|4.904036|5.602010|4.172192|3.970967|4.782861|7.132167|9.853717|0.222007|8.889842|17.713921|3.052332|3.748098|0.083254|2.326956|2.169644|0.065254|1.897984|1.753822|1.794708|3.611020|2.566843|0.064135|2.343895|3.355521|2.912113|2.633276|2.741365|1.799622|1.641479|1.485020|1.412463|1.510393|1.676060|2.887384|2.976421|2.493557|3.530677|0.152230|0.221576|0.151865|0.124146|0.095932|0.500000| |2.277802|2.754204|2.832611|3.401143|4.353807|5.993110|9.053721|7.058294|12.501615|6.589528|0.115428|4.092192|3.173319|17.657877|12.513238|0.224998|7.696693|5.122377|0.141911|4.125948|3.201709|3.178938|7.143071|5.498244|0.128873|4.889915|6.499904|5.183321|4.743632|5.304698|3.301358|3.091016|2.589839|2.249781|2.329081|2.672190|4.412845|3.995509|3.337668|3.190014|0.060214|0.061567|0.058753|0.069079|0.152452|0.081767|0.500000| |2.271887|2.769078|2.990705|3.754995|4.649565|7.145976|8.865536|5.571469|8.859987|5.742675|0.098546|3.937137|3.062136|17.745794|12.185232|0.183192|6.658531|4.406835|0.114619|3.555792|2.889733|3.029912|6.860883|6.786221|0.144765|7.358401|11.019072|7.895707|6.666174|7.271658|4.029782|3.663233|2.893144|2.524658|2.639088|3.182764|5.084502|4.026351|3.929618|3.769234|0.060032|0.060097|0.059654|0.073689|0.217113|0.076590|0.301396|0.500000| |1.871351|2.178453|2.215568|2.554599|3.068197|3.840686|5.018198|4.592832|9.328563|4.725995|0.088730|2.974300|2.459606|7.720974|12.380967|0.214417|17.660024|8.983154|0.211508|7.069583|4.629233|4.383612|10.220957|5.595683|0.150709|4.781710|5.623067|4.755952|4.749041|5.641648|3.826042|3.702637|3.147043|2.610014|2.653337|2.959664|4.103873|3.892711|3.231910|2.456195|0.049567|0.051175|0.049064|0.055451|0.102841|0.065295|0.265800|0.183439|0.500000| |1.758263|2.035918|2.109106|2.444537|2.854228|3.587929|4.379078|3.795688|7.228487|4.084105|0.076246|2.682913|2.246305|6.492430|12.284399|0.182481|17.635256|8.801188|0.173934|6.641987|4.769997|5.119398|12.901286|7.286982|0.213132|6.728137|6.942324|5.969411|6.415937|8.453762|5.851152|5.557528|4.334877|3.410962|3.477275|4.017089|4.614988|4.048117|3.791616|2.426557|0.046477|0.047678|0.046827|0.053430|0.101007|0.059083|0.173109|0.181962|0.301917|0.500000| |1.548742|1.738920|1.728648|1.908109|2.202680|2.530778|3.048587|3.099452|6.516468|3.502408|0.069817|2.224235|1.944764|3.727682|6.043183|0.124599|6.357468|8.707350|0.219089|17.600471|8.666821|5.693352|10.359838|3.604584|0.108941|3.109498|3.677424|3.317480|3.449211|4.021064|3.057633|3.076347|2.943464|2.459136|2.448501|2.521940|2.983675|3.121161|2.541442|1.827211|0.041150|0.043082|0.040912|0.044020|0.067531|0.053320|0.115533|0.094099|0.191626|0.151299|0.500000| |1.488119|1.674427|1.694892|1.890452|2.154405|2.518710|2.969712|2.854771|5.707925|3.237483|0.063256|2.113492|1.842903|3.761383|6.265536|0.118615|7.163011|8.824878|0.174270|17.531771|8.792875|6.766587|12.317828|3.983716|0.125165|3.598820|4.115344|3.797790|4.106608|4.906168|3.928974|4.159794|3.994425|3.118259|3.015607|3.082428|3.114236|3.086241|2.727094|1.852675|0.039598|0.040972|0.039636|0.043456|0.069198|0.049814|0.111072|0.100294|0.190379|0.205184|0.300804|0.500000| |1.449791|1.605283|1.581001|1.716994|1.956357|2.183801|2.563552|2.672541|5.580043|3.131547|0.063680|2.002847|1.788439|2.934987|4.936941|0.105978|4.467245|6.834652|0.191977|8.825636|17.573749|8.792811|11.581804|3.308584|0.105793|2.784731|3.247969|2.951058|3.113233|3.664966|2.917644|2.816134|2.856327|2.500743|2.567774|2.537615|2.916918|3.246424|2.584902|1.637441|0.038212|0.040618|0.038738|0.040488|0.058067|0.049621|0.084638|0.074645|0.116111|0.111734|0.218364|0.174079|0.500000| |1.334548|1.473986|1.471655|1.604605|1.801363|2.024854|2.327712|2.335184|4.691911|2.755282|0.055237|1.805738|1.616556|2.716085|4.466126|0.090576|4.184259|5.742319|0.138965|8.689287|17.608389|8.715584|10.429398|3.083797|0.099163|2.742183|3.191280|2.982806|3.224938|3.777421|3.138568|3.199703|3.412004|2.881761|2.832279|2.705929|2.639899|2.774964|2.414744|1.559660|0.035414|0.037101|0.035803|0.038005|0.055030|0.044406|0.077956|0.071678|0.108780|0.114035|0.194100|0.217654|0.302257|0.500000| |1.470482|1.632192|1.622618|1.770139|2.002815|2.242563|2.589666|2.631854|5.302494|3.105372|0.062320|2.021278|1.802527|2.931327|5.177593|0.108719|4.340851|6.243377|0.161930|5.807719|8.681819|17.619815|16.516493|3.933302|0.137298|3.242328|3.632388|3.301610|3.573207|4.362163|3.670101|3.301830|3.423582|3.113052|3.407668|3.287515|3.519402|3.945730|3.275070|1.703332|0.038457|0.040929|0.039786|0.041671|0.060268|0.049543|0.079551|0.075961|0.102613|0.114741|0.128766|0.137436|0.223045|0.188745|0.500000| |1.406851|1.566031|1.581570|1.742670|1.953948|2.225771|2.541512|2.476771|4.857794|2.905328|0.057315|1.925482|1.708476|2.985723|5.210175|0.102139|4.686597|6.234408|0.139823|6.445457|8.720544|17.600514|16.622904|4.008263|0.141640|3.536437|3.890339|3.636129|4.086088|5.067840|4.630461|4.393029|4.831464|4.081952|4.256671|3.946362|3.333776|3.407605|3.163544|1.710947|0.037068|0.038804|0.038085|0.040843|0.061222|0.046387|0.081028|0.080179|0.109260|0.136264|0.132772|0.176516|0.175199|0.221033|0.301130|0.500000| |1.599379|1.818527|1.894912|2.156075|2.411634|2.871207|3.205268|2.864995|5.271609|3.313169|0.062828|2.261908|1.958628|3.904013|6.950467|0.120501|5.498802|5.208558|0.117315|4.308479|4.072708|5.381820|12.160163|6.746090|0.250375|7.081954|6.628639|6.270608|7.935760|12.624278|17.609651|8.887900|6.859761|5.709790|6.851047|8.868849|4.822150|4.069693|4.845685|2.183391|0.042018|0.043267|0.043569|0.048878|0.082403|0.051657|0.097111|0.112704|0.118812|0.188795|0.097598|0.127678|0.095970|0.102393|0.128361|0.167627|0.500000| |1.488364|1.685691|1.775689|2.026572|2.231987|2.675268|2.930253|2.560123|4.653462|2.978024|0.056294|2.062445|1.794173|3.706680|5.755811|0.098077|5.073832|4.338056|0.097364|4.156073|3.606189|4.009555|8.131740|4.496641|0.135166|5.315523|5.916928|6.211259|7.993698|9.593268|8.823623|17.527474|8.790240|5.479735|4.831708|5.483683|3.347118|2.894785|3.202531|2.100733|0.039734|0.040075|0.040249|0.046205|0.079028|0.047132|0.097592|0.114318|0.123008|0.196996|0.098047|0.139496|0.084095|0.096433|0.093307|0.124678|0.215228|0.500000| |1.435051|1.615008|1.721459|1.957914|2.100489|2.472221|2.593415|2.257843|4.005371|2.700072|0.051008|1.917155|1.689309|3.097868|4.606622|0.080677|3.651147|3.221575|0.076565|3.044575|2.794917|3.146911|6.194098|3.819662|0.111042|4.830766|5.767109|6.780275|9.767814|9.639124|8.880421|17.570868|8.829594|6.776478|5.669321|6.805645|3.057738|2.596682|3.122295|2.076654|0.038385|0.038393|0.039178|0.045342|0.074495|0.044158|0.079839|0.096877|0.090690|0.126842|0.074392|0.096063|0.067644|0.075637|0.077384|0.097700|0.174601|0.303300|0.500000| |1.323550|1.472909|1.524420|1.695897|1.853586|2.132482|2.334072|2.155738|4.012738|2.565569|0.049655|1.764121|1.569017|2.770142|4.469654|0.082061|3.863650|3.978876|0.091061|4.052989|4.099445|4.923014|8.464809|3.597970|0.117342|3.749823|4.201685|4.272510|5.222343|6.249985|6.806881|8.831220|17.490829|8.845293|6.779768|5.645675|2.921688|2.701408|2.933087|1.725868|0.035204|0.036004|0.036037|0.039880|0.061108|0.041900|0.073895|0.079885|0.093385|0.128702|0.092806|0.130918|0.093141|0.116101|0.114962|0.180973|0.202034|0.214063|0.173435|0.500000| |1.255409|1.391797|1.453835|1.616989|1.739996|1.994018|2.133393|1.944892|3.555250|2.343010|0.045188|1.637427|1.465116|2.511372|3.824656|0.069900|3.225402|3.132053|0.073942|3.232322|3.131460|3.457530|6.135450|3.011671|0.092182|3.318564|3.933786|4.206715|5.184788|5.625147|5.515677|8.863837|17.563060|8.807809|5.492066|4.836781|2.494268|2.269831|2.515917|1.673352|0.033642|0.033981|0.034213|0.038349|0.058093|0.038948|0.067478|0.074383|0.081639|0.107512|0.078045|0.105289|0.073938|0.089868|0.083822|0.114954|0.140621|0.212365|0.214869|0.303722|0.500000| |1.196888|1.314839|1.365868|1.500338|1.601027|1.795409|1.901393|1.767494|3.227606|2.167081|0.042156|1.521331|1.378630|2.150101|3.323343|0.062559|2.652138|2.698512|0.066004|2.687281|2.796761|3.270826|5.598030|2.741555|0.085448|2.927974|3.472088|3.666622|4.444101|4.854351|4.851008|5.488354|8.827884|17.558197|8.825217|5.487823|2.407773|2.230435|2.566297|1.543432|0.031899|0.032490|0.032927|0.036193|0.051765|0.036845|0.056855|0.062288|0.066158|0.083464|0.065209|0.081562|0.068102|0.079721|0.084523|0.110273|0.127839|0.123086|0.139219|0.215156|0.211390|0.500000| |1.251274|1.381472|1.453629|1.610835|1.704692|1.926933|2.008249|1.825579|3.275178|2.239895|0.043125|1.592563|1.437172|2.275629|3.439101|0.063543|2.682222|2.594673|0.063561|2.517900|2.503145|2.880995|5.233937|2.880827|0.086947|3.273745|3.958703|4.393500|5.574070|5.737987|5.665182|6.777542|8.855060|17.517922|8.852151|6.776328|2.509309|2.240213|2.705323|1.686283|0.033418|0.033710|0.034483|0.038649|0.056591|0.038051|0.059405|0.067611|0.067110|0.086049|0.061807|0.076813|0.061477|0.069738|0.073954|0.092845|0.131867|0.139158|0.199339|0.173748|0.214857|0.303567|0.500000| |1.360077|1.507650|1.559118|1.722358|1.866106|2.107400|2.264296|2.112615|3.879948|2.563740|0.049755|1.780832|1.597843|2.553397|4.164600|0.078658|3.217609|3.355940|0.081917|3.103193|3.293037|4.293490|7.633940|3.699293|0.122750|3.791139|4.229040|4.265130|5.181057|6.248975|6.807518|5.644528|6.776485|8.841273|17.494683|8.835199|3.267277|3.013152|3.639431|1.748467|0.035841|0.036980|0.037485|0.040909|0.060078|0.042682|0.065772|0.072636|0.076552|0.099721|0.073293|0.090233|0.080336|0.088718|0.114135|0.145270|0.201736|0.126413|0.131110|0.199126|0.139162|0.214977|0.173678|0.500000| |1.306667|1.439810|1.503143|1.654303|1.756613|1.960866|2.048333|1.893977|3.407570|2.340527|0.045306|1.658982|1.503353|2.259428|3.520842|0.066529|2.635182|2.640884|0.066099|2.460424|2.541155|3.091398|5.612592|3.107931|0.096411|3.364599|3.969638|4.194717|5.119210|5.623237|5.516128|4.837078|5.492518|8.810002|17.565925|8.864639|2.853457|2.576425|3.294511|1.706800|0.034549|0.035328|0.036271|0.039853|0.056671|0.039970|0.057993|0.065388|0.064472|0.081240|0.060036|0.071712|0.063620|0.069126|0.083308|0.098579|0.140459|0.106560|0.127037|0.139224|0.123154|0.211331|0.214798|0.303848|0.500000| |1.481351|1.660565|1.771296|1.998516|2.118634|2.434044|2.500015|2.209151|3.875045|2.698056|0.051117|1.938449|1.725011|2.806694|4.278968|0.077481|3.097693|2.867305|0.070955|2.579585|2.497705|2.964511|5.849867|3.940487|0.115546|4.920322|5.838985|6.753842|9.515632|9.641680|8.890129|6.814076|5.673127|6.778435|8.824303|17.557994|3.455062|2.865867|4.004929|2.115996|0.039204|0.039567|0.041034|0.046852|0.072681|0.045064|0.069969|0.084840|0.075204|0.099114|0.063268|0.076253|0.062294|0.066378|0.077135|0.090765|0.174480|0.139942|0.201752|0.131180|0.127109|0.139210|0.199375|0.173403|0.214649|0.500000| |1.575920|1.773080|1.867801|2.101489|2.267432|2.596961|2.721119|2.447478|4.336776|2.973093|0.056526|2.106065|1.865792|3.014318|4.852605|0.089381|3.397106|3.252802|0.081277|2.803116|2.776841|3.468252|7.020743|4.838365|0.149715|5.512376|6.041746|6.173489|7.761139|9.587717|8.832205|5.486663|4.833879|5.482007|8.794312|17.551565|4.412723|3.629670|5.616775|2.168040|0.041252|0.042337|0.043718|0.048905|0.075563|0.048978|0.074002|0.087844|0.079935|0.105017|0.067863|0.080194|0.069770|0.072009|0.092619|0.104549|0.214797|0.123275|0.139870|0.126491|0.106592|0.123103|0.139172|0.214283|0.212375|0.302989|0.500000| |2.630736|3.237614|3.376882|4.081883|5.129355|6.324074|7.015983|5.981137|9.270051|6.850526|0.118698|4.694933|3.672093|6.074941|9.180079|0.187663|4.460127|3.854715|0.109293|2.955518|2.690628|3.052793|6.938725|8.820913|0.175444|6.752441|8.886639|6.235474|5.519861|6.395399|3.770435|3.018386|2.554912|2.417142|2.757425|3.370799|17.620956|8.825519|8.926533|3.754017|0.065960|0.070122|0.071319|0.081611|0.159201|0.092146|0.128504|0.152582|0.107934|0.114895|0.076288|0.078228|0.072228|0.065671|0.082616|0.079139|0.110618|0.084721|0.078649|0.071882|0.063398|0.060355|0.063786|0.078099|0.070532|0.086895|0.104508|0.500000| |2.016605|2.313588|2.284215|2.533433|2.988282|3.355375|3.971841|4.153015|8.148226|4.820831|0.094728|3.057816|2.631314|4.090831|7.670416|0.180009|4.645334|5.126659|0.154591|3.721923|3.719823|4.636045|10.753902|6.864731|0.214312|4.592397|5.122366|4.224142|4.263730|5.271550|3.758575|3.005562|2.746902|2.611090|3.058779|3.430746|8.760972|17.543953|6.854019|2.351784|0.051202|0.055908|0.054785|0.057140|0.086367|0.071426|0.100666|0.100445|0.106621|0.114755|0.092215|0.092275|0.102801|0.086569|0.137204|0.111558|0.124287|0.083581|0.074170|0.082177|0.066917|0.067062|0.065750|0.094031|0.077432|0.082412|0.107441|0.172844|0.500000| |2.375365|2.753818|2.678787|2.938993|3.486831|3.717979|4.208860|4.556494|8.273987|5.683118|0.111794|3.662938|3.171184|3.866702|6.359984|0.149312|3.655761|3.703191|0.112281|2.878124|2.811533|3.258296|7.049349|5.471845|0.144444|4.069601|4.970564|4.065240|3.920207|4.570154|3.092221|2.529464|2.292119|2.219270|2.570549|2.921569|8.849066|17.579836|7.116247|2.642580|0.058987|0.065923|0.065057|0.066186|0.092949|0.085946|0.093728|0.095134|0.089117|0.091696|0.074393|0.073133|0.078671|0.067851|0.094741|0.081702|0.095377|0.070088|0.064697|0.066568|0.056905|0.057116|0.057422|0.076145|0.066989|0.073247|0.092196|0.211173|0.302254|0.500000| |2.382469|2.811788|2.716696|3.041121|3.806708|4.277227|5.464746|6.461701|13.377881|7.047507|0.137632|4.088349|3.358651|5.141771|9.158371|0.259706|4.912190|4.979813|0.163328|3.605381|3.361819|3.773651|8.677988|6.593715|0.169463|4.418206|5.274003|4.194161|4.030474|4.791708|3.212867|2.689959|2.406931|2.244074|2.521918|2.854056|8.621404|17.591415|5.481889|2.698496|0.059819|0.066436|0.063495|0.066113|0.103100|0.091375|0.125704|0.116477|0.119060|0.113779|0.094112|0.088671|0.094828|0.078559|0.106096|0.090820|0.101408|0.077149|0.067812|0.070829|0.060133|0.057648|0.057718|0.074882|0.064197|0.071296|0.086354|0.209905|0.300905|0.304819|0.500000| |2.097645|2.443337|2.611547|3.030549|3.335637|3.856181|3.899144|3.395283|5.670832|4.157990|0.076559|3.011160|2.589038|3.936459|6.114741|0.115197|3.598220|3.251307|0.086629|2.631038|2.498434|2.964245|6.438191|6.782961|0.165436|7.254772|8.976135|7.435081|7.154049|8.247407|4.862558|3.546379|2.982457|2.988787|3.661740|4.906641|8.691285|5.496188|17.598952|3.073668|0.053686|0.055639|0.058511|0.066857|0.111000|0.066234|0.090054|0.112065|0.085664|0.102467|0.066086|0.072162|0.065447|0.062697|0.080745|0.081315|0.133338|0.092309|0.094045|0.081349|0.071883|0.072766|0.079598|0.100254|0.095299|0.126908|0.171508|0.214045|0.139364|0.144225|0.121759|0.500000| |2.210672|2.549270|2.627376|2.939797|3.271084|3.554434|3.668784|3.474209|5.898829|4.398084|0.083085|3.129949|2.748414|3.495727|5.498376|0.112756|3.242646|3.108017|0.086730|2.509131|2.446778|2.897869|6.164217|5.507181|0.142300|4.831970|6.026423|5.052081|4.878575|5.578217|3.652316|2.833440|2.516179|2.531686|3.066182|3.706419|8.851558|7.091802|17.587458|2.824642|0.055597|0.059514|0.062088|0.066742|0.096028|0.071705|0.082386|0.093653|0.078351|0.087844|0.063774|0.066827|0.065899|0.060903|0.082175|0.077262|0.106587|0.075271|0.074110|0.070674|0.061523|0.063772|0.066565|0.087754|0.081517|0.094235|0.126117|0.213534|0.172421|0.220010|0.144008|0.303224|0.500000| |1.902441|2.175005|2.245042|2.527659|2.830178|3.212199|3.463190|3.225074|5.722475|3.897951|0.074041|2.697293|2.351928|3.612474|6.168085|0.121296|3.812309|3.739497|0.099847|2.963359|2.932040|3.689792|8.062871|6.903777|0.206348|5.900637|6.410018|5.488337|5.750852|7.239877|5.075156|3.613082|3.201397|3.233636|4.155824|5.213411|8.742093|6.863359|17.531391|2.482255|0.048694|0.051476|0.052777|0.057425|0.088689|0.061916|0.085742|0.098110|0.088078|0.106518|0.072759|0.079534|0.076883|0.072476|0.103933|0.100278|0.156008|0.093496|0.091036|0.091062|0.075526|0.079968|0.082422|0.122631|0.106685|0.121947|0.192443|0.173621|0.202588|0.173821|0.139043|0.300186|0.302604|0.500000| |3.342642|4.271299|5.897061|8.817637|6.656408|6.424836|4.485364|3.616914|5.283725|5.030403|0.087105|4.561360|3.942572|3.740213|4.297939|0.083230|2.600059|2.225141|0.061531|1.932050|1.751166|1.862902|3.845026|3.277368|0.077162|3.600253|6.273940|5.650044|4.459397|4.171390|2.484204|2.233668|1.905615|1.828205|1.960817|2.324370|3.498806|2.890632|3.281889|17.556710|0.088051|0.080628|0.092011|0.153157|0.218047|0.089875|0.089828|0.111645|0.070432|0.071692|0.052017|0.053516|0.047014|0.044975|0.049845|0.050326|0.066489|0.062899|0.063048|0.051359|0.049693|0.046114|0.050865|0.052836|0.051900|0.065810|0.067561|0.118348|0.070249|0.079105|0.079102|0.100452|0.089184|0.077471|0.500000| |3.358785|4.288445|5.934770|8.826164|6.615347|6.358235|4.450503|3.593128|5.242814|5.008092|0.086784|4.550238|3.946465|3.751899|4.089024|0.079235|2.547480|2.158528|0.059780|1.908753|1.705521|1.773903|3.633201|2.925192|0.069824|3.169905|5.353741|4.917099|3.980304|3.735356|2.265385|2.106743|1.804673|1.703334|1.786309|2.077567|2.966549|2.546548|2.694334|17.550389|0.092583|0.080902|0.088489|0.154571|0.214752|0.089956|0.094367|0.112696|0.071376|0.069896|0.052213|0.053100|0.045863|0.043998|0.047078|0.047801|0.060945|0.060574|0.059522|0.048769|0.047741|0.043221|0.047402|0.048278|0.046998|0.058653|0.059079|0.097018|0.062805|0.068545|0.071903|0.080115|0.072256|0.065687|0.301772|0.500000| 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