Version2.0 2019-11-12T16:54:15Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 05-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc2cc(c(=O)[nH]c2c1)[C@H](c3nnnn3C4CCCCC4)N5CC[NH+](CC5)Cc6ccco6 C19221978 RHF 6-31G(d) (6D,7F) Cc1ccc2cc(c(=O)[nH]c2c1)[C@H](c3nnnn3C4CCCCC4)N5CC[NH+](CC5)Cc6ccco6 C01[X(C27H34N7O2)] 204 C1 608 Cc1ccc2c(c1)[nH]c(=O)c(c2)[C@H](c1nnnn1C1CCCCC1)N1CC[NH+](CC1)Cc1ccco1 Cc1ccc2c(c1)[nH]c(=O)c(c2)[C@H](c1nnnn1C1CCCCC1)N1CC[NH+](CC1)Cc1ccco1 Cc1ccc2C=C([C@@H](N3CC[NH+](CC3)Cc4occc4)c5nnnn5C6CCCCC6)C(=O)Nc2c1 InChIKey=TZUKTQFUQAGDIJ-RUZDIDTESA-O InChI=1S/C27H33N7O2/c1-19-9-10-20-17-23(27(35)28-24(20)16-19)25(26-29-30-31-34(26)21-6-3-2-4-7-21)33-13-11-32(12-14-33)18-22-8-5-15-36-22/h5,8-10,15-17,21,25H,2-4,6-7,11-14,18H2,1H3,(H,28,35)/p+1/t25-/m1/s1 InChI=1/C27H33N7O2/c1-19-9-10-20-17-23(27(35)28-24(20)16-19)25(26-29-30-31-34(26)21-6-3-2-4-7-21)33-13-11-32(12-14-33)18-22-8-5-15-36-22/h5,8-10,15-17,21,25H,2-4,6-7,11-14,18H2,1H3,(H,28,35)/p+1/t25-/m1/s1/fC27H34N7O2/h28,32H/q+1 Cc1ccc2cc(c(=O)[nH]c2c1)[C@H](c3nnnn3C4CCCCC4)N5CC[NH+](CC5)Cc6ccco6 C01[X(C27H34N7O2)] 204 C01 608 Cc1ccc2c(c1)[nH]c(=O)c(c2)[C@H](c1nnnn1C1CCCCC1)N1CC[NH+](CC1)Cc1ccco1 Cc1ccc2c(c1)[nH]c(=O)c(c2)[C@H]([C@@H]1NNNN1C1CCCCC1)N1CC[NH](CC1)Cc1ccco1 Cc1ccc2C=C([C@H]([C@@H]3NNNN3C4CCCCC4)N5CC[NH](CC5)Cc6occc6)C(=O)Nc2c1 InChIKey=YNNFPYNLZSQSQT-CLJLJLNGSA-N InChI=1S/C27H38N7O2/c1-19-9-10-20-17-23(27(35)28-24(20)16-19)25(26-29-30-31-34(26)21-6-3-2-4-7-21)33-13-11-32(12-14-33)18-22-8-5-15-36-22/h5,8-10,15-17,21,25-26,29-32H,2-4,6-7,11-14,18H2,1H3,(H,28,35)/t25-,26-/m1/s1 InChI=1/C27H38N7O2/c1-19-9-10-20-17-23(27(35)28-24(20)16-19)25(26-29-30-31-34(26)21-6-3-2-4-7-21)33-13-11-32(12-14-33)18-22-8-5-15-36-22/h5,8-10,15-17,21,25-26,29-32H,2-4,6-7,11-14,18H2,1H3,(H,28,35)/t25-,26-/m1/s1/f/h28H 3904.0796183686 -1572.8772354 1-A 22013.9940 130 478 608 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.75344 -20.61182 -15.83618 -15.74617 -15.72219 -15.70839 -15.70028 -15.68092 -15.66842 -11.44484 -11.44177 -11.42487 -11.41712 -11.41662 -11.40295 -11.40293 -11.39513 -11.38869 -11.38553 -11.37928 -11.36785 -11.36407 -11.35931 -11.34392 -11.33917 -11.33868 -11.33250 -11.33082 -11.31731 -11.30967 -11.30282 -11.30166 -11.29907 -11.29225 -11.29202 -11.28565 -1.59615 -1.58786 -1.48510 -1.48106 -1.37327 -1.36622 -1.34924 -1.28259 -1.24580 -1.22071 -1.21161 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 14097.6505 28036.7960 36872.3034 1.00000 0.00082 0.00016 -0.00082 0.99987 0.01638 -0.00014 -0.01638 0.99987 1 0.00614 0.00309 0.00235 0.12802 0.06437 0.04895 21.02 23.56 34.82 37.80 44.91 49.73 79.32 88.58 93.61 98.57 108.92 125.88 166.31 169.90 171.86 204.44 231.32 273.71 302.95 320.79 348.79 368.17 395.91 399.45 401.02 406.60 411.21 459.27 492.32 512.30 518.45 565.63 589.94 598.68 619.77 625.24 663.26 687.10 695.19 707.28 743.90 752.29 763.13 785.09 787.00 834.61 897.93 941.84 949.40 973.79 997.96 1013.14 1038.61 1078.67 1148.13 1157.97 1172.39 1176.63 1180.40 1217.27 1224.30 1245.71 1254.01 1259.92 1269.08 1269.13 1306.08 1318.52 1321.38 1338.95 1363.26 1394.80 1396.39 1399.17 1402.54 1405.98 1415.41 1440.99 1456.21 1490.94 1502.65 1509.65 1515.51 1530.36 1561.71 1573.80 1580.23 1597.88 1599.85 1600.56 1608.15 1649.10 1649.87 1656.28 1660.26 1678.93 1686.00 1686.84 1731.31 1733.05 1740.29 1775.37 1780.89 1786.75 1814.98 1833.38 1847.54 1850.98 1873.88 1879.75 1882.54 1908.46 1919.70 1947.66 1959.88 1968.42 1980.89 1994.05 2017.07 2018.35 2020.42 2030.75 2035.02 2040.04 2076.86 2094.96 2106.30 2111.13 2132.25 2140.94 2159.89 2164.27 2175.61 2185.69 2192.24 2201.47 2203.24 2204.98 2229.60 2233.84 2250.72 2255.09 2256.58 2262.49 2278.23 2283.29 2295.03 2305.98 2333.95 2336.16 2341.58 2347.65 2347.82 2349.61 2355.20 2361.37 2367.28 2368.77 2374.22 2376.52 2390.24 2394.12 2423.87 2426.09 2487.15 2538.43 2607.70 2621.04 2643.65 2780.37 4562.43 4588.08 4591.51 4607.05 4623.35 4623.74 4633.32 4635.11 4674.01 4677.29 4679.61 4684.72 4695.15 4704.82 4706.29 4708.63 4719.12 4720.14 4733.03 4735.33 4744.02 4773.84 4801.73 4810.54 4835.58 4840.64 4841.92 4844.42 4869.18 4945.66 4978.22 5024.82 5291.49 5528.12 0.644006 0.673489 0.674433 0.578676 -1572.233229 -1572.203746 -1572.202802 -1572.298559 3.211706D-04 MUNgauss RevisionA1.9 retrievium 12-Nov-2019 DUDE Cc1ccc2cc(c(=O)[nH]c2c1)[C@H](c3nnnn3C4CCCCC4)N5CC[NH+](CC5)Cc6ccco6 C19221978 RHF 6-31G(d) (6D,10F) C1 488.277360 |X|Y|Z| 80.464325 118.025245 40.117743 72.494477 34 6 7 8 26 7 1 |36.858105| |12.626542|36.858105| |7.554322|13.544339|36.858105| |5.035535|7.908391|13.921984|36.858105| |4.422276|6.805682|7.908144|13.583579|36.858105| |3.313294|4.492031|5.081505|7.605603|13.203540|36.858105| |2.915862|3.768156|3.929493|5.109217|7.810393|14.204263|36.858105| |3.071188|3.925957|3.762435|4.481255|6.685782|7.811648|12.921733|36.858105| |2.657628|3.228867|3.059679|3.492706|4.699914|5.369361|8.057317|15.809416|73.516695| |3.864458|5.188464|4.590808|5.208281|8.000002|6.985438|7.940584|13.943640|15.107617|53.358707| |3.797020|4.790562|4.028825|4.273271|5.799565|5.114784|5.788082|9.524153|14.050264|25.976557|0.500000| |5.016450|7.916799|6.876747|7.926070|13.683579|7.838841|6.767458|7.784224|9.594675|18.794940|0.256849|36.858105| |7.579746|13.826126|7.929926|6.867537|7.867578|5.117790|4.523731|5.142152|7.273758|10.730798|0.202951|13.643858|36.858105| |2.368392|2.904537|3.043607|3.776292|4.923919|7.499992|12.571171|7.571808|12.109617|6.917076|0.117268|4.403150|3.329381|36.858105| |2.251500|2.714688|2.773341|3.322327|4.256879|5.799675|9.129557|7.475604|13.993870|6.690845|0.118282|4.059805|3.147532|17.615033|0.500000| |2.198523|2.660297|2.887401|3.611111|4.349936|6.444100|7.534236|5.002657|8.038287|5.302177|0.092169|3.680005|2.910924|12.592231|0.250904|36.858105| |2.039129|2.429800|2.677797|3.312927|3.766620|5.221455|5.469865|3.928179|6.398026|4.412388|0.078174|3.162921|2.587905|7.620134|0.163502|14.684867|53.358707| |1.912168|2.245086|2.493390|3.031813|3.299073|4.284869|4.268753|3.258781|5.359862|3.808638|0.068574|2.785274|2.343757|5.320725|0.127693|9.044329|19.408310|53.358707| |1.955097|2.297928|2.536684|3.072218|3.367230|4.327395|4.345853|3.363833|5.539152|3.934706|0.070941|2.866737|2.410000|5.268969|0.134144|8.889837|12.176497|20.720691|53.358707| |2.134812|2.554589|2.778785|3.416998|3.966831|5.402912|5.823468|4.295699|7.001013|4.793217|0.084899|3.392374|2.755733|7.492248|0.193118|14.286854|12.180357|12.445426|19.529553|53.358707| |2.174243|2.583800|2.746573|3.283214|3.822101|4.810978|5.255325|4.304016|7.157847|4.907450|0.088486|3.422663|2.817077|5.922435|0.176427|7.439305|7.247644|7.458177|10.651850|17.635232|36.858105| |1.871133|2.159650|2.256673|2.599241|2.941305|3.510824|3.878640|3.430342|6.064620|3.981369|0.074546|2.738715|2.339501|4.521195|0.141926|5.370175|5.883469|6.298074|8.551321|10.507281|12.442129|36.858105| |1.842073|2.093773|2.147618|2.406356|2.692101|3.046723|3.319140|3.129739|5.611605|3.770122|0.072367|2.590317|2.269733|3.595397|0.113516|3.902732|4.427636|4.637104|5.830901|6.787084|7.563181|12.433361|36.858105| |1.922498|2.173561|2.249284|2.496764|2.715906|2.976139|3.081071|2.893290|5.011271|3.633717|0.069620|2.588038|2.310306|3.157329|0.094915|3.461613|4.031521|4.309482|5.420427|6.016385|6.465119|7.524007|12.443796|36.858105| |2.254344|2.605947|2.732010|3.083003|3.362154|3.653538|3.651325|3.362041|5.576937|4.294552|0.080512|3.139714|2.764531|3.541199|0.103506|3.873498|4.406049|4.639867|5.865546|6.786372|7.568618|6.439747|7.540057|12.443728|36.858105| |2.310382|2.739268|2.971776|3.529142|3.895069|4.553893|4.441743|3.743496|6.018761|4.616731|0.083566|3.418226|2.895984|4.412657|0.123559|5.292298|5.831570|6.304018|8.659857|10.497716|12.444531|7.508737|6.434877|7.521034|12.432720|36.858105| |2.190514|2.630428|2.726816|3.279559|4.092634|5.570905|7.761335|6.056927|10.621406|5.949716|0.105362|3.793177|2.989432|13.064262|0.261262|7.667628|8.964555|6.202689|5.674627|6.948437|4.154531|3.523939|2.908265|2.570707|2.789976|3.317637|53.358707| |1.885636|2.201681|2.265175|2.640786|3.145477|3.988302|5.082890|4.438366|8.453042|4.637262|0.086053|2.984821|2.463081|7.788688|0.208561|6.177675|7.851075|5.837794|5.325170|6.205817|3.788858|3.484983|2.861570|2.462310|2.565534|2.983879|17.963914|36.858105| |1.774744|2.037548|2.066897|2.349387|2.744192|3.282284|3.989317|3.774960|7.344055|4.153574|0.079421|2.678284|2.273697|5.106059|0.138891|4.196214|5.596159|4.461211|4.083591|4.559815|2.926199|2.752097|2.368675|2.077439|2.151311|2.424812|10.710807|12.527900|36.858105| |1.787185|2.047653|2.099746|2.385757|2.731459|3.223139|3.707951|3.423198|6.289210|3.927791|0.074577|2.621769|2.249158|4.432160|0.112408|3.819980|5.417768|4.313597|3.828965|4.141404|2.616391|2.416942|2.093324|1.885873|1.978000|2.243149|9.100168|7.680816|12.687647|53.358707| |1.708375|1.952010|2.028156|2.313567|2.604724|3.094170|3.467236|3.103905|5.599965|3.597066|0.067924|2.451319|2.113481|4.214967|0.105685|3.885036|5.816347|4.648138|4.012743|4.220512|2.611516|2.428413|2.079177|1.877246|1.960101|2.243374|8.193327|7.154200|9.309268|25.674086|0.500000| |2.054192|2.399057|2.476513|2.861164|3.330019|3.971109|4.516121|4.061400|7.082222|4.674761|0.086632|3.152402|2.650157|5.062540|0.120057|4.170861|5.843131|4.514457|4.000534|4.396695|2.756143|2.448760|2.125141|1.946922|2.092948|2.399294|10.727085|6.645398|7.718860|17.209898|0.258934|36.858105| |2.213656|2.654273|2.810624|3.398210|4.076034|5.372670|6.246701|4.880620|8.030327|5.345402|0.094722|3.645671|2.935168|7.605938|0.157553|6.097630|8.579081|5.967291|5.154233|5.821118|3.445166|2.934090|2.467109|2.256357|2.468020|2.935048|17.904136|7.963903|6.648264|10.473677|0.200050|12.535218|36.858105| |1.648669|1.852642|1.877072|2.080570|2.334636|2.638375|2.955576|2.853160|5.299300|3.406463|0.066302|2.289251|2.021421|3.330956|0.087452|2.935490|4.127488|3.462297|3.134127|3.341531|2.179816|2.049421|1.820031|1.654091|1.721806|1.911366|6.083605|4.970038|7.646335|17.175790|0.259017|7.554978|4.952778|36.858105| |1.582166|1.762444|1.802006|1.983455|2.171632|2.414429|2.602890|2.478038|4.476332|3.044146|0.059145|2.104608|1.887625|2.852568|0.073773|2.613745|3.776170|3.234511|2.898366|3.020183|1.964753|1.843550|1.644178|1.516761|1.583436|1.758615|4.947710|3.838693|5.003312|10.375963|0.204427|6.110499|4.269620|12.834635|36.858105| |1.440515|1.590111|1.634456|1.788875|1.927787|2.130843|2.263162|2.141404|3.855369|2.655040|0.051704|1.857188|1.683010|2.484602|0.064747|2.353531|3.452353|3.036198|2.713613|2.773373|1.807517|1.717097|1.534826|1.420958|1.472168|1.630212|4.144305|3.268937|4.023935|7.403849|0.162333|4.467863|3.495122|7.374946|14.188999|36.858105| |1.428667|1.565790|1.615010|1.752882|1.858889|2.020508|2.098998|1.986512|3.524212|2.511795|0.048949|1.785978|1.638159|2.243675|0.058073|2.143954|3.151543|2.807402|2.514477|2.552176|1.671055|1.577207|1.419670|1.330559|1.386570|1.531898|3.641590|2.756563|3.223213|5.717832|0.123040|3.870421|3.122814|5.159402|8.578897|13.261003|36.858105| |1.558657|1.713347|1.763121|1.911095|2.029718|2.188121|2.261651|2.150857|3.783016|2.741819|0.053362|1.956043|1.795368|2.368763|0.060720|2.223447|3.236361|2.846863|2.558041|2.624856|1.721018|1.603127|1.446227|1.361133|1.432172|1.583841|3.869747|2.825912|3.297585|5.987332|0.122806|4.389825|3.408745|5.348911|8.788479|8.610741|14.218218|36.858105| |1.676054|1.863643|1.905653|2.084355|2.261372|2.467496|2.604753|2.490468|4.413324|3.127392|0.060727|2.193495|1.984299|2.747315|0.070151|2.504867|3.601307|3.092047|2.781156|2.902710|1.897149|1.756208|1.577167|1.472558|1.553895|1.723949|4.664915|3.390462|4.143151|8.120227|0.155646|5.996206|4.177680|7.852814|14.113954|8.620919|8.616659|14.170740|73.516695| |17.556400|8.872781|6.760460|4.629905|3.972078|3.063649|2.693150|2.789105|4.329866|4.635456|0.092456|4.302215|5.895150|2.224448|0.058299|2.078024|2.665187|2.499039|2.525160|2.724682|2.007273|1.739706|1.699325|1.764337|2.044309|2.117579|2.850422|1.810079|1.719814|2.387876|0.046699|2.022432|2.155134|1.630270|1.581439|1.443425|1.444231|1.582980|3.005302|0.500000| |17.596761|8.832055|5.557484|4.173948|3.950456|3.057807|2.789003|3.039334|4.767355|5.267392|0.110432|4.742509|7.261429|2.283299|0.061114|2.091254|2.626110|2.454485|2.514100|2.760187|2.082750|1.812968|1.800723|1.865194|2.161315|2.184276|2.895888|1.845566|1.752094|2.385599|0.046249|2.000229|2.126769|1.629502|1.555492|1.413408|1.397875|1.524640|2.923890|0.301443|0.500000| |17.556021|8.876109|6.738381|4.624965|3.974973|3.065862|2.696455|2.796431|4.345581|4.647822|0.092893|4.311861|5.914822|2.226386|0.059151|2.105364|2.662350|2.533660|2.613156|2.831171|2.141189|1.851166|1.839477|1.949784|2.295965|2.321217|2.776298|1.774383|1.660418|2.264651|0.044480|1.889479|2.047928|1.534124|1.474416|1.352488|1.340321|1.450808|2.757471|0.302355|0.301513|0.500000| |7.029309|8.860343|17.723314|8.980767|5.631135|4.121168|3.281616|3.114973|4.647016|4.963047|0.091409|4.954416|5.647745|2.660401|0.067695|2.587858|3.337716|3.166504|3.208231|3.429489|2.482041|2.074885|1.982098|2.095049|2.515712|2.717699|3.289692|2.047805|1.882035|2.619967|0.052087|2.242936|2.515667|1.736997|1.686928|1.545486|1.539162|1.674431|3.177048|0.192842|0.140648|0.191574|0.500000| |4.102353|5.626636|8.973954|17.706246|8.888478|6.971789|4.683363|3.897796|5.567328|5.735730|0.098132|5.642424|4.948296|3.683607|0.088760|3.726360|4.815213|4.493892|4.496982|4.838307|3.311038|2.618190|2.385693|2.490037|3.062799|3.614801|4.370102|2.613209|2.307687|3.221247|0.064787|2.820495|3.399124|2.053785|1.979043|1.801397|1.771720|1.920611|3.688054|0.108925|0.095990|0.108760|0.216371|0.500000| |3.001054|3.919280|4.666420|7.000800|8.806111|17.690734|9.074273|5.562071|7.608924|6.817013|0.110217|5.617002|4.160970|6.861094|0.144460|7.197116|8.549623|7.047779|6.894692|8.183058|4.903244|3.559124|3.005449|2.964828|3.620307|4.744579|7.161904|3.899478|3.174052|4.327596|0.087291|3.869545|5.388210|2.586210|2.408114|2.153372|2.050676|2.203808|4.360835|0.078608|0.076095|0.078616|0.110754|0.211162|0.500000| |7.000122|8.931971|5.630534|4.948531|5.619735|4.168157|3.947447|4.746351|7.124005|9.793975|0.219308|8.898613|17.708745|3.026893|0.081540|2.624543|3.181606|2.891583|2.977484|3.395810|2.581837|2.196872|2.164463|2.187947|2.565305|2.621466|3.769841|2.330045|2.186239|2.919983|0.055633|2.489264|2.685364|1.956988|1.819667|1.622581|1.577096|1.726337|3.394020|0.151927|0.222409|0.152668|0.123948|0.107434|0.096117|0.500000| |2.330000|2.802668|2.911772|3.478482|4.256560|5.393168|6.420688|5.437242|9.069834|5.922218|0.105804|3.943175|3.156269|6.931941|0.225852|7.187508|6.684386|6.290225|7.920625|12.678184|17.590695|8.879010|6.852394|5.713183|6.866093|8.898205|6.245952|4.052220|3.124834|3.739489|0.074584|2.926891|3.649538|2.284811|2.031765|1.845986|1.701855|1.766481|3.498408|0.059183|0.062544|0.063123|0.071677|0.094115|0.141043|0.080732|0.500000| |1.792204|2.062657|2.135327|2.451113|2.806012|3.379962|3.886924|3.485563|6.387511|3.943737|0.074377|2.649429|2.256123|4.819271|0.159278|5.512491|6.037751|6.178438|7.769267|9.611990|8.839199|17.534452|8.791593|5.481077|4.835454|5.485789|5.242015|3.997465|3.093325|3.586881|0.073441|2.609616|3.104851|2.218574|1.966591|1.827164|1.658079|1.677199|3.288403|0.046512|0.048545|0.048837|0.054414|0.068153|0.094098|0.059344|0.215320|0.500000| |1.758318|2.012440|2.127977|2.442805|2.691532|3.182940|3.391526|2.963723|5.181218|3.513257|0.065891|2.471300|2.141170|3.932238|0.117153|4.906754|5.804353|6.710036|9.456281|9.638524|8.889345|17.554335|8.821306|6.770154|5.663898|6.795769|4.342179|3.195115|2.559972|3.118391|0.064925|2.307082|2.750399|1.953546|1.780253|1.676816|1.545995|1.561227|3.011810|0.045758|0.047081|0.048553|0.055066|0.069598|0.092405|0.055695|0.174538|0.302894|0.500000| |1.919430|2.185408|2.202089|2.452049|2.796027|3.134390|3.509861|3.450398|6.338241|4.129888|0.080222|2.763764|2.413365|3.735569|0.122265|3.808451|4.237931|4.263271|5.166527|6.257120|6.802045|8.837508|17.498709|8.844585|6.780446|5.643982|4.101421|2.945524|2.454406|2.917780|0.058365|2.182330|2.513379|1.869085|1.673291|1.550146|1.430859|1.464477|2.857425|0.048869|0.052596|0.052971|0.055909|0.066298|0.083378|0.064614|0.201725|0.214416|0.173403|0.500000| |1.669538|1.872134|1.913681|2.118808|2.340610|2.620407|2.845693|2.714329|4.941176|3.297108|0.064075|2.267148|2.016389|3.116083|0.097716|3.367319|3.963547|4.183533|5.102388|5.625776|5.513318|8.859293|17.559693|8.808103|5.491408|4.833744|3.568438|2.650193|2.233090|2.683218|0.054619|1.970289|2.247532|1.732914|1.569088|1.475915|1.363035|1.379192|2.661376|0.043066|0.045514|0.046348|0.049496|0.058555|0.072227|0.053866|0.140448|0.212032|0.214639|0.303741|0.500000| |1.868872|2.081195|2.122476|2.306912|2.490072|2.656040|2.748209|2.662418|4.661914|3.411345|0.066531|2.425790|2.209881|2.768581|0.083414|2.938062|3.472807|3.654759|4.420731|4.856867|4.850908|5.488788|8.826829|17.554702|8.825757|5.487313|3.141008|2.219976|1.910892|2.366077|0.047842|1.790639|2.040233|1.543609|1.418079|1.330603|1.249455|1.278629|2.453306|0.047518|0.050763|0.052950|0.055164|0.063283|0.072565|0.058902|0.127870|0.123099|0.139115|0.215075|0.211418|0.500000| |1.800565|2.021298|2.118024|2.348978|2.503498|2.747197|2.794104|2.578758|4.445975|3.252539|0.062192|2.350270|2.114712|2.900424|0.085285|3.279679|3.950254|4.368880|5.534160|5.739943|5.669610|6.777434|8.851262|17.512568|8.851463|6.776598|3.273956|2.326084|1.971037|2.459513|0.050447|1.856466|2.147579|1.588953|1.469083|1.386885|1.302061|1.325705|2.532773|0.046309|0.048263|0.050892|0.055490|0.066192|0.077832|0.055430|0.131959|0.139099|0.199115|0.173705|0.214748|0.303462|0.500000| |2.436080|2.835203|2.896900|3.237860|3.630686|3.855156|3.934889|3.788813|6.286835|4.898996|0.092522|3.516114|3.083184|3.672525|0.109500|3.780556|4.218597|4.266041|5.192538|6.257773|6.808257|5.649288|6.781664|8.844692|17.497970|8.836870|3.915199|2.612222|2.204775|2.742347|0.054805|2.145994|2.514680|1.758388|1.606450|1.482704|1.395418|1.449251|2.811701|0.060526|0.065509|0.068640|0.072848|0.086586|0.101559|0.080126|0.202275|0.126636|0.131087|0.199337|0.139242|0.215030|0.173705|0.500000| |2.281089|2.601191|2.750543|3.043210|3.189143|3.336333|3.216014|2.980559|4.901070|3.936087|0.074294|2.966917|2.688595|3.056190|0.087200|3.335014|3.936700|4.186227|5.140857|5.624033|5.515938|4.835817|5.491586|8.809010|17.559535|8.860892|3.372088|2.275637|1.942885|2.468894|0.050057|1.926986|2.248526|1.594563|1.481827|1.384231|1.314099|1.358551|2.601766|0.057422|0.060322|0.065623|0.071536|0.084705|0.092901|0.069158|0.140698|0.106592|0.126885|0.139242|0.123141|0.211451|0.214737|0.303749|0.500000| |2.125123|2.479149|2.726209|3.205934|3.400309|3.935401|3.764177|3.166633|5.151047|3.945443|0.072133|2.959204|2.562904|3.856644|0.105790|4.843090|5.750471|6.714332|9.602871|9.625385|8.886914|6.794251|5.661589|6.770334|8.823580|17.559566|4.122286|2.782926|2.281330|2.907300|0.060137|2.263678|2.750668|1.828487|1.700467|1.592559|1.501512|1.542546|2.957955|0.054789|0.055572|0.059625|0.070808|0.094000|0.118921|0.064631|0.174705|0.139694|0.200902|0.131021|0.126866|0.139127|0.199161|0.173425|0.214693|0.500000| |2.624179|3.195933|3.561951|4.385734|4.820290|5.598253|5.032158|4.108251|6.299752|5.202355|0.091825|4.024043|3.348920|4.605084|0.122927|5.372856|5.943459|6.186807|7.906406|9.600353|8.845431|5.487508|4.834263|5.481001|8.793563|17.546206|4.672639|2.971952|2.434128|3.118136|0.063348|2.511266|3.106889|1.948585|1.802619|1.661467|1.572266|1.640430|3.177846|0.066372|0.067886|0.073204|0.089250|0.125577|0.163665|0.081980|0.216077|0.123442|0.139744|0.126580|0.106579|0.123100|0.139105|0.214476|0.212077|0.302809|0.500000| |1.777628|2.062643|2.153964|2.514978|2.915557|3.689840|4.418845|3.733279|6.849603|4.057124|0.075236|2.703292|2.261746|6.583516|0.170153|6.393987|9.165305|6.783692|5.882990|6.481220|3.776464|3.542218|2.838576|2.450017|2.526798|2.982920|12.230684|17.460235|8.846923|9.310788|0.207573|5.752176|7.061870|4.579626|3.742132|3.315476|2.790067|2.795324|5.802405|0.047618|0.048012|0.046825|0.054730|0.070566|0.104877|0.059087|0.106885|0.112924|0.093133|0.079048|0.073741|0.060890|0.065415|0.069967|0.062547|0.079222|0.081649|0.500000| |1.846999|2.145639|2.182215|2.518464|3.010790|3.753328|4.880254|4.491568|9.069769|4.632804|0.087303|2.919078|2.419658|7.392036|0.240651|5.833982|6.872250|5.450292|5.257666|6.310674|4.067491|3.881117|3.190784|2.657544|2.717816|3.104650|12.492104|17.601073|9.031112|7.637390|0.145097|4.977739|5.723180|4.146616|3.257776|2.839003|2.422886|2.469044|5.167443|0.048853|0.050549|0.048529|0.054748|0.068611|0.100037|0.064251|0.123535|0.129200|0.096156|0.092786|0.082323|0.066601|0.068913|0.077448|0.066011|0.079438|0.084009|0.301686|0.500000| |1.614708|1.830218|1.855560|2.085326|2.390541|2.807135|3.320382|3.171895|6.187637|3.582005|0.069401|2.338176|2.021683|4.168371|0.116940|3.655298|4.966053|4.130910|3.800642|4.142913|2.694956|2.618573|2.269217|1.979876|2.014125|2.244989|7.696790|8.800043|17.616935|12.357935|0.224572|5.620327|4.976121|7.142661|4.812797|4.091064|3.188120|3.139919|6.791570|0.043539|0.044372|0.042247|0.047383|0.057227|0.076348|0.054337|0.078677|0.082549|0.068444|0.064934|0.060403|0.050815|0.052541|0.056948|0.050675|0.059310|0.061796|0.215394|0.212800|0.500000| |1.837002|2.105501|2.098913|2.360440|2.788980|3.261943|4.034645|4.076541|8.299238|4.473927|0.087104|2.805547|2.386534|4.866618|0.137090|3.807928|4.881783|3.968004|3.729796|4.234044|2.813506|2.636444|2.323703|2.043324|2.124111|2.353635|9.645964|8.842792|17.631436|12.410022|0.181718|7.040350|5.837922|7.058435|4.610881|3.654979|3.007408|3.148660|7.098299|0.049292|0.050842|0.047457|0.052754|0.063335|0.085039|0.064564|0.085393|0.081760|0.067226|0.068031|0.060702|0.052689|0.053328|0.061355|0.053320|0.060785|0.065964|0.173397|0.217731|0.299292|0.500000| |2.011234|2.325488|2.423085|2.771052|3.116444|3.597256|3.850956|3.466765|5.928057|4.179640|0.077942|2.920260|2.514268|4.123444|0.098549|3.620271|5.251549|4.193762|3.682323|3.933955|2.475380|2.208392|1.932722|1.796255|1.933055|2.208593|7.698835|4.967141|5.626237|12.344079|0.224691|17.670052|8.793774|7.044683|6.943046|5.006126|4.548609|5.468571|13.712585|0.055722|0.054120|0.051363|0.061740|0.076809|0.099685|0.065433|0.071925|0.064540|0.058568|0.054716|0.050011|0.046065|0.047955|0.054731|0.050020|0.058564|0.064552|0.129061|0.109233|0.126660|0.144042|0.500000| |2.156249|2.517417|2.537685|2.888384|3.420811|3.947618|4.596868|4.456748|7.941937|5.159988|0.097104|3.374910|2.840149|4.840571|0.119050|3.795128|5.051278|4.009667|3.669538|4.106911|2.663567|2.367124|2.093090|1.919589|2.069345|2.332409|9.696843|5.871165|7.070723|12.418809|0.182067|17.631564|8.818120|6.987764|5.437466|3.978302|3.514055|4.060959|9.915995|0.058802|0.058957|0.054561|0.063237|0.077140|0.102249|0.075121|0.080217|0.069950|0.061220|0.060534|0.053818|0.049436|0.050395|0.059759|0.052933|0.060402|0.068031|0.133855|0.131877|0.144156|0.213297|0.299786|0.500000| |2.502753|3.073441|3.302405|4.108940|5.031729|6.737797|7.197260|5.388462|8.215528|6.115247|0.105045|4.329039|3.399905|7.142514|0.145670|5.739841|7.795223|5.655611|4.996096|5.672473|3.421949|2.833118|2.419047|2.260596|2.530144|3.016555|12.465431|5.726104|4.969998|7.639319|0.145964|9.028454|17.635871|4.122313|3.729561|3.101934|2.884308|3.219889|6.859107|0.067814|0.066088|0.063624|0.080846|0.113359|0.184372|0.084402|0.101495|0.081150|0.073643|0.068615|0.060659|0.056918|0.059580|0.072099|0.064622|0.077923|0.091413|0.143633|0.127797|0.109225|0.130792|0.213164|0.215674|0.500000| |2.063994|2.447683|2.642151|3.194282|3.666375|4.788233|5.170327|4.000978|6.605363|4.537311|0.081198|3.199729|2.636542|6.458042|0.137399|6.285146|10.446517|6.986005|5.630445|6.010958|3.412885|2.937883|2.431197|2.233776|2.425344|2.927039|12.227982|7.080935|5.787207|9.369672|0.210266|8.844494|17.525290|4.579615|4.178650|3.576798|3.207084|3.409157|7.138759|0.056116|0.054694|0.053644|0.066890|0.091777|0.144297|0.066824|0.096536|0.085973|0.078380|0.067481|0.061924|0.055760|0.059945|0.067318|0.061705|0.078085|0.085380|0.208481|0.143626|0.130094|0.133894|0.214005|0.173132|0.302924|0.500000| |1.530757|1.708540|1.727173|1.905073|2.128924|2.401619|2.699430|2.622797|4.949473|3.127469|0.061342|2.095097|1.860943|3.088435|0.083210|2.769090|3.881983|3.317968|3.026617|3.208634|2.111356|2.024643|1.803081|1.626141|1.671417|1.842428|5.463005|4.763322|7.421894|12.392961|0.218678|5.582972|4.173602|17.639490|9.043160|6.897241|4.660924|4.476620|10.281335|0.041911|0.042144|0.039821|0.044570|0.052329|0.065581|0.050307|0.061186|0.061465|0.053760|0.051388|0.048130|0.042250|0.043483|0.047287|0.042924|0.049133|0.051600|0.124751|0.114874|0.231235|0.186256|0.142776|0.145903|0.097149|0.110310|0.500000| |1.714071|1.922330|1.921217|2.111212|2.386973|2.653520|2.995374|2.993237|5.631614|3.603467|0.071010|2.389884|2.119332|3.272036|0.086877|2.801026|3.831388|3.226151|2.970953|3.211672|2.132536|1.995516|1.794577|1.635185|1.709280|1.879483|5.890291|4.580276|6.841187|12.383684|0.182175|7.132880|4.661601|17.624137|8.920633|5.673993|4.458696|4.907271|12.920816|0.047053|0.047403|0.044026|0.049133|0.057130|0.070814|0.057540|0.062915|0.059775|0.052373|0.051690|0.047330|0.042619|0.043349|0.048943|0.044003|0.049527|0.053464|0.112150|0.110060|0.169378|0.207161|0.180222|0.217925|0.112350|0.114091|0.300875|0.500000| |1.358433|1.495827|1.537291|1.681795|1.811742|2.009799|2.144585|2.028785|3.681502|2.503600|0.048865|1.745800|1.582853|2.387323|0.062969|2.290383|3.365927|2.997288|2.684561|2.725670|1.780394|1.713782|1.530793|1.410173|1.447829|1.599131|3.934732|3.207180|3.925981|6.748797|0.152614|3.912495|3.208187|6.374755|8.810295|17.783436|8.461867|5.859658|10.437846|0.037670|0.037062|0.035614|0.040448|0.047138|0.056582|0.042469|0.050242|0.050945|0.046692|0.042819|0.041156|0.036690|0.038348|0.040361|0.037760|0.043567|0.044899|0.092120|0.078469|0.116548|0.097517|0.115850|0.097212|0.078467|0.092343|0.190500|0.136718|0.500000| |1.340406|1.458766|1.507879|1.627222|1.707937|1.843894|1.898654|1.796617|3.180384|2.288260|0.044692|1.638465|1.514599|2.020962|0.052555|1.958714|2.887035|2.616428|2.350293|2.363050|1.554246|1.475184|1.333279|1.255274|1.303934|1.435482|3.208611|2.430175|2.769645|4.694870|0.101946|3.213659|2.709321|4.047300|5.847102|8.456813|17.815185|8.823383|10.443083|0.037726|0.036397|0.035089|0.040196|0.045884|0.052247|0.040534|0.043715|0.042913|0.040400|0.037191|0.035693|0.032813|0.034267|0.036327|0.034473|0.039298|0.040842|0.069013|0.060171|0.076981|0.071976|0.102567|0.081795|0.070336|0.078113|0.105879|0.099560|0.193633|0.500000| 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