Version2.0 2020-02-16T06:13:59Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 23-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(c(no1)c2c(cccc2Cl)Cl)C(=O)N3C[C@@H](C4(C3)CC[NH2+]CC4)C(=O)N[C@H]5CCCC[C@@H]5C C39635909 RHF 6-31G(d) (6D,7F) Cc1c(c(no1)c2c(cccc2Cl)Cl)C(=O)N3C[C@@H](C4(C3)CC[NH2+]CC4)C(=O)N[C@H]5CCCC[C@@H]5C C01[X(C27H35Cl2N4O3)] 207 C1 618 O=C([C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1c(C)onc1c1c(Cl)cccc1Cl)N[C@H]1CCCC[C@@H]1C O=C([C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1c(C)onc1c1c(Cl)cccc1Cl)N[C@H]1CCCC[C@@H]1C C[C@H]1CCCC[C@@H]1NC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4c(C)onc4c5c(Cl)cccc5Cl InChIKey=UZJUSCCFFMCKDG-CDXJDZJCSA-O InChI=1S/C27H34Cl2N4O3/c1-16-6-3-4-9-21(16)31-25(34)18-14-33(15-27(18)10-12-30-13-11-27)26(35)22-17(2)36-32-24(22)23-19(28)7-5-8-20(23)29/h5,7-8,16,18,21,30H,3-4,6,9-15H2,1-2H3,(H,31,34)/p+1/t16-,18+,21-/m0/s1 InChI=1/C27H34Cl2N4O3/c1-16-6-3-4-9-21(16)31-25(34)18-14-33(15-27(18)10-12-30-13-11-27)26(35)22-17(2)36-32-24(22)23-19(28)7-5-8-20(23)29/h5,7-8,16,18,21,30H,3-4,6,9-15H2,1-2H3,(H,31,34)/p+1/t16-,18+,21-/m0/s1/fC27H35Cl2N4O3/h30-31H/q+1 Cc1c(c(no1)c2c(cccc2Cl)Cl)C(=O)N3C[C@@H](C4(C3)CC[NH2+]CC4)C(=O)N[C@H]5CCCC[C@@H]5C C01[X(C27H35Cl2N4O3)] 207 C01 618 O=C([C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1c(C)onc1c1c(Cl)cccc1Cl)N[C@H]1CCCC[C@@H]1C O=C([C@H]1CN(CC21CC[NH2]CC2)C(=O)[C@H]1[C@H](C)ON=C1c1c(Cl)cccc1Cl)N[C@H]1CCCC[C@@H]1C C[C@H]1CCCC[C@@H]1NC(=O)[C@H]2CN(CC23CC[NH2]CC3)C(=O)[C@H]4[C@H](C)ON=C4c5c(Cl)cccc5Cl InChIKey=YQSKZNVHRCVDIT-GWUZYQLFSA-N InChI=1S/C27H37Cl2N4O3/c1-16-6-3-4-9-21(16)31-25(34)18-14-33(15-27(18)10-12-30-13-11-27)26(35)22-17(2)36-32-24(22)23-19(28)7-5-8-20(23)29/h5,7-8,16-18,21-22H,3-4,6,9-15,30H2,1-2H3,(H,31,34)/t16-,17-,18+,21-,22-/m0/s1 InChI=1/C27H37Cl2N4O3/c1-16-6-3-4-9-21(16)31-25(34)18-14-33(15-27(18)10-12-30-13-11-27)26(35)22-17(2)36-32-24(22)23-19(28)7-5-8-20(23)29/h5,7-8,16-18,21-22H,3-4,6,9-15,30H2,1-2H3,(H,31,34)/t16-,17-,18+,21-,22-/m0/s1/f/h31H 4569.8724420834 -2403.9633332 1-A 20924.9172 141 477 618 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.90633 -104.90473 -20.73618 -20.63108 -20.62444 -15.86001 -15.70015 -15.68663 -15.68430 -11.45828 -11.45314 -11.45136 -11.43907 -11.41055 -11.39480 -11.39470 -11.38679 -11.38564 -11.37494 -11.37439 -11.37094 -11.36588 -11.36380 -11.35829 -11.34664 -11.33405 -11.33061 -11.33035 -11.32412 -11.31527 -11.31215 -11.29767 -11.29398 -11.29147 -11.28634 -11.28468 -10.63965 -10.63798 -8.10903 -8.10738 -8.10561 -8.10558 -8.10395 -8.10388 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3.5134 1.6948 1.9599 2.7135 2.2728 2.8589 2.4561 1.3528 1.9272 3.3612 2.3853 1.7215 1.5729 2.2556 1.9846 2.1791 4.0182 3.3041 2.5500 4.3896 2.2130 1.6870 2.1860 1.5921 1.7977 1.5668 2.1512 1.8623 2.0775 3.1299 1.2402 1.9795 1.5868 1.4193 1.5108 1.3361 1.3613 1.7777 4.7511 1.2507 1.2449 1.2272 1.2733 1.2660 1.3708 1.2463 1.4151 1.6335 1.4183 1.4113 1.6898 1.5429 1.8833 1.5343 1.4230 1.5494 1.7661 1.3764 1.3074 1.4648 1.5928 2.1373 1.3888 2.1646 1.0975 1.1059 1.2874 2.5709 1.0964 1.0926 1.0913 1.0890 1.0697 1.0765 1.0563 1.1073 1.0931 1.0966 1.0966 1.9810 7.7679 6.0860 6.5552 9.8807 1.0771 11.5270 8.5768 1.0837 1.0718 1.0690 1.0715 1.0612 1.0414 1.0773 1.0687 1.0836 1.0397 1.0971 1.0951 1.0952 1.0996 1.1013 1.0949 1.1014 1.0716 1.0654 1.0882 1.0591 1.0633 1.1027 1.1119 1.0984 1.1094 1.1079 1.1007 1.0929 1.0903 1.0942 1.0978 1.0561 1.0959 1.0783 0.0003 0.0006 0.0009 0.0029 0.0050 0.0065 0.0064 0.0083 0.0085 0.0068 0.0229 0.0094 0.0157 0.0311 0.0392 0.0706 0.0665 0.0586 0.0940 0.0847 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1531.53 1533.77 1535.83 1552.00 1555.01 1565.13 1582.91 1603.29 1616.83 1617.07 1631.27 1640.01 1640.74 1657.97 1672.31 1686.14 1691.53 1701.13 1723.73 1726.24 1727.92 1745.17 1750.34 1773.46 1808.03 1832.73 1843.72 1849.58 1861.53 1885.62 1888.51 1897.47 1914.48 1930.01 1938.89 1952.90 1997.07 2008.49 2011.00 2037.62 2057.82 2074.16 2082.76 2087.49 2090.34 2102.70 2117.31 2124.69 2149.33 2165.97 2171.09 2191.59 2196.06 2203.79 2213.07 2220.25 2223.18 2224.93 2230.47 2236.60 2250.53 2253.65 2261.60 2271.37 2277.99 2307.47 2322.66 2326.08 2333.37 2346.88 2348.01 2352.72 2355.00 2357.39 2364.84 2365.56 2370.17 2380.45 2383.76 2404.21 2416.52 2462.28 2482.57 2528.71 2567.61 2601.09 2628.60 2725.91 2771.40 4533.56 4578.78 4584.36 4593.20 4602.43 4605.29 4614.54 4623.97 4635.13 4650.67 4662.20 4672.67 4677.75 4679.14 4687.81 4698.78 4705.85 4707.56 4720.12 4721.47 4730.15 4732.59 4739.43 4800.32 4806.19 4810.76 4825.05 4833.24 4850.98 4873.86 4906.46 4913.89 5276.51 5369.10 5560.74 0.646730 0.678723 0.679667 0.578822 -2403.316603 -2403.284610 -2403.283666 -2403.384511 3.382358D-04 MUNgauss RevisionA2.0 retrievium 16-Feb-2020 DUDE Cc1c(c(no1)c2c(cccc2Cl)Cl)C(=O)N3C[C@@H](C4(C3)CC[NH2+]CC4)C(=O)N[C@H]5CCCC[C@@H]5C C39635909 RHF 6-31G(d) (6D,10F) C1 533.208622 |X|Y|Z| 75.899287 48.948350 112.995801 74.876583 30 6 7 8 25 4 1 |36.858105| |12.789335|36.858105| |7.258070|14.034408|36.858105| |5.187400|8.710238|13.206241|36.858105| |5.323140|8.670419|8.500953|14.899206|53.358707| |8.003984|14.529885|8.747414|9.000781|19.049284|73.516695| |3.713301|5.207744|7.134721|12.787261|10.913666|9.593539|36.858105| |3.138405|4.132124|5.144429|7.561528|8.330284|7.813352|13.663224|36.858105| |2.572179|3.207262|3.845871|5.019388|5.909178|5.980175|7.852878|13.770571|36.858105| |2.408178|2.953777|3.546058|4.444509|5.200274|5.409587|6.809075|7.972711|13.785800|36.858105| |2.630864|3.267059|4.020178|5.026192|5.657923|5.881992|7.849416|6.898965|7.946969|13.782546|36.858105| |3.245544|4.260954|5.581538|7.586378|7.672895|7.599502|13.669806|8.009055|6.909094|7.982678|13.784771|36.858105| |3.475579|4.410246|5.559498|6.246394|6.784007|7.494468|6.995598|4.766336|4.236869|4.797744|7.112325|10.950364|448.794386| |3.190566|4.091476|4.692647|6.185124|7.864276|7.936154|6.974751|10.947604|7.119059|4.798457|4.233050|4.760721|28.052799|448.794386| |5.867201|7.585160|12.912056|7.143073|7.043790|9.419407|5.581102|4.308649|3.472970|3.327038|3.807878|4.997346|42.489187|31.019564|36.858105| |6.055042|6.516491|8.149204|5.210657|5.747563|8.152174|4.238027|3.407864|2.872667|2.816781|3.225712|4.040764|37.323434|25.039938|15.787638|73.516695| |4.223600|5.193648|7.808192|6.013723|5.936286|7.380223|5.648586|4.647734|3.850027|3.683782|4.120513|5.143483|39.329915|32.666928|13.856087|15.038104|53.358707| |3.762155|4.603940|6.341460|5.624211|5.767441|6.983802|5.576423|5.244194|4.276503|3.810827|3.928425|4.642074|31.757364|40.106407|7.640388|9.678158|17.641173|36.858105| |3.092486|3.485937|4.325646|3.864384|4.297707|5.380372|3.902278|3.835453|3.426065|3.159885|3.195889|3.522278|25.310359|30.265203|5.342071|7.936435|10.849585|12.289792|36.858105| |2.698727|3.052202|3.760538|3.532559|3.954746|4.843264|3.775479|3.804383|3.572929|3.361538|3.344766|3.534167|24.920695|28.899815|4.501044|6.820568|8.930201|8.855889|17.545997|0.500000| |3.188869|3.436929|4.184078|3.516434|3.959209|5.132220|3.419427|3.181770|2.865768|2.756955|2.905538|3.235701|25.143276|24.430238|5.732148|9.440374|10.996174|7.754678|12.244533|0.248302|36.858105| |3.462231|3.886614|5.060006|4.164260|4.484395|5.706474|4.098608|3.576228|3.191760|3.172019|3.518620|4.050688|32.758237|25.588398|7.877208|12.578969|17.912985|8.034963|8.132136|0.199435|12.365344|36.858105| |3.603059|3.643705|4.168520|3.341963|3.894561|5.295461|3.061131|2.830054|2.503822|2.381112|2.510142|2.838754|22.688769|22.652053|5.586792|10.063021|8.613058|5.991938|7.356734|0.152408|12.335598|7.474806|36.858105| |3.371665|3.253091|3.579860|2.889318|3.444508|4.752470|2.647489|2.413756|2.172828|2.115822|2.264817|2.540392|21.258297|18.954566|4.734617|9.653596|6.657669|4.260123|4.832425|0.113358|7.477492|6.096886|12.526018|36.858105| |2.665472|2.619476|2.882843|2.446694|2.942541|3.973125|2.325348|2.163466|2.001104|1.971328|2.089790|2.275629|18.875153|16.885762|3.641146|7.083695|5.379694|3.596517|4.332681|0.108782|6.473614|5.139493|7.708577|12.601650|53.358707| |2.513792|2.435124|2.635281|2.251921|2.740430|3.719032|2.137949|1.981662|1.843314|1.830808|1.950379|2.115174|17.843664|15.400336|3.265674|6.500371|4.666277|3.081896|3.552491|0.091211|4.927812|4.316890|5.683724|9.142190|25.689202|0.500000| |2.502121|2.450087|2.662556|2.291453|2.785585|3.762155|2.182443|2.064927|1.916193|1.870124|1.954480|2.112462|17.217223|16.413960|3.253833|6.156702|4.815362|3.387936|4.177980|0.104819|5.775547|4.364242|7.070234|9.203020|25.675727|0.328325|0.500000| |2.471189|2.521704|2.862354|2.490571|2.947800|3.876781|2.447825|2.287866|2.152770|2.150075|2.280963|2.442019|20.043660|17.440169|3.642228|6.799661|5.757494|3.839842|4.842709|0.129793|7.478654|6.034506|6.504522|7.562461|17.231705|0.254999|0.255803|36.858105| |2.567571|2.702408|3.153295|2.775579|3.227712|4.170675|2.775360|2.642363|2.480997|2.437950|2.541487|2.714985|21.323356|20.251793|4.014406|6.977796|6.935823|4.991696|7.416539|0.201928|12.400455|7.426108|7.626460|6.477827|10.433099|0.157423|0.194486|12.481574|36.858105| |2.868272|3.131752|3.634722|3.316736|3.886011|4.955326|3.275452|3.364681|3.027787|2.722099|2.672165|2.897966|20.820558|28.968327|4.116727|6.380368|7.050397|7.465617|12.477942|0.246441|7.283940|5.062781|6.310554|4.246706|5.292850|0.089608|0.111402|4.050932|5.712915|36.858105| |3.136111|3.333722|3.722724|3.310468|3.973696|5.227842|3.119192|3.164067|2.782958|2.486709|2.461193|2.715632|19.865180|28.344320|4.105820|6.474890|6.472360|6.398617|8.016491|0.163386|6.108899|4.464640|6.547467|4.360028|5.174827|0.088497|0.110620|3.685661|4.749813|15.807748|73.516695| |2.394233|2.598501|2.959626|2.811296|3.363422|4.234821|2.871969|3.041824|2.862408|2.587705|2.480438|2.597100|18.512880|26.149882|3.257876|5.161393|5.437458|5.322008|7.825311|0.213090|5.360217|4.039040|4.583955|3.449543|4.591780|0.079590|0.098452|3.623383|5.002696|14.181913|15.069464|53.358707| |2.164703|2.307382|2.538521|2.441767|3.014936|3.832428|2.468082|2.645744|2.510928|2.258874|2.144596|2.229207|16.001485|23.560404|2.700096|4.360866|4.260646|3.952284|4.979337|0.134316|3.901182|3.113093|3.653996|2.905867|3.894376|0.069270|0.085183|2.961527|3.756270|7.717180|12.002803|17.702344|36.858105| |2.249041|2.352285|2.544778|2.401440|2.991764|3.876008|2.366652|2.492728|2.326027|2.099673|2.021167|2.129792|15.540997|22.382523|2.709251|4.434090|4.173941|3.788996|4.689342|0.119620|3.877631|3.047135|3.876473|3.071859|4.069020|0.072235|0.090678|2.979990|3.686436|7.425544|13.736340|12.666305|17.605822|0.500000| |2.126353|2.299866|2.509491|2.493100|3.126109|3.917895|2.546157|2.829165|2.697874|2.360361|2.187702|2.259124|15.855803|26.449580|2.564851|4.083272|3.973977|3.730095|4.218333|0.114914|3.268664|2.779639|3.075949|2.493410|3.269173|0.059256|0.069944|2.477042|3.042337|5.855071|9.736220|10.524751|12.423211|0.246829|36.858105| |1.890016|2.006975|2.136017|2.126707|2.730087|3.459551|2.151918|2.370990|2.282830|2.022597|1.880645|1.931518|13.769993|22.124604|2.158792|3.505425|3.244433|2.895833|3.181720|0.086690|2.637967|2.288937|2.561769|2.155502|2.852555|0.052570|0.061465|2.128554|2.513940|4.113582|7.288507|6.778764|7.509667|0.188783|12.456651|36.858105| |1.680189|1.771526|1.888893|1.875291|2.401472|3.043966|1.914886|2.086662|2.049115|1.856665|1.732426|1.756901|12.662791|18.729345|1.936348|3.186035|2.918889|2.534921|2.849129|0.079768|2.434545|2.114576|2.338958|2.014069|2.736686|0.050769|0.059343|2.064216|2.413845|3.541377|6.070189|6.023102|6.439953|0.157613|7.563042|12.462821|36.858105| |1.699723|1.775853|1.902172|1.854123|2.351165|3.004878|1.881957|2.010897|1.964547|1.806788|1.711406|1.743420|12.740775|17.628453|1.993577|3.314121|3.028628|2.603391|3.055095|0.085546|2.666298|2.251746|2.566530|2.214392|3.074005|0.056664|0.067851|2.321032|2.728336|3.858638|6.528545|6.798649|7.569705|0.189746|6.489251|7.558674|12.455903|36.858105| |1.863931|1.966935|2.149040|2.078774|2.585966|3.286233|2.125072|2.262996|2.205492|2.031624|1.930238|1.970227|14.325709|19.535936|2.298044|3.787979|3.592290|3.153432|3.929257|0.112092|3.323084|2.713205|3.085028|2.588161|3.621315|0.065423|0.079982|2.800789|3.451329|5.164466|8.091289|10.516680|12.387128|0.246414|7.480940|6.378604|7.452617|12.392325|36.858105| |1.793605|1.914017|2.109990|2.070779|2.565526|3.218909|2.159010|2.324188|2.310701|2.137459|2.008003|2.018735|14.529375|19.771433|2.250812|3.687013|3.555463|3.119580|3.847207|0.115203|3.207027|2.688413|2.875037|2.433720|3.418484|0.062129|0.074126|2.713678|3.359430|4.733113|7.133737|9.649686|8.899177|0.174591|6.839739|5.685471|6.823735|8.910049|17.449869|0.500000| |1.828244|1.901284|2.073887|1.968564|2.440689|3.135837|1.994220|2.071182|2.012066|1.891671|1.832612|1.878157|13.970043|17.428899|2.269667|3.820459|3.539028|2.988347|3.836083|0.108937|3.496075|2.781378|3.278315|2.819974|4.122991|0.074157|0.093750|3.197866|3.894059|4.787852|7.575258|8.724337|7.463503|0.192067|4.866389|4.333831|4.885043|7.554473|12.445324|0.247168|36.858105| |17.572025|9.023037|5.841713|4.563854|6.586794|12.501206|3.394324|2.857587|2.390444|2.278929|2.515810|3.077131|27.526991|22.774964|4.898633|9.383504|4.953809|3.202193|2.691480|0.066716|2.803434|3.088113|3.104943|3.015833|3.325539|0.065124|0.063475|2.277494|2.323299|2.487571|4.749464|2.888902|1.932178|0.055464|1.901046|1.708059|1.534661|1.551536|1.690738|0.045431|1.665943|0.500000| |17.582030|9.004230|5.735521|4.538054|6.645920|12.918582|3.359341|2.962051|2.440569|2.251422|2.403298|2.896293|23.978695|25.318518|4.697339|8.319979|4.989870|3.465020|2.907153|0.070501|2.930457|3.057565|3.343473|3.089048|3.379414|0.064988|0.065970|2.288325|2.393903|2.801119|5.568451|3.205526|2.171675|0.063276|2.155904|1.937349|1.707941|1.716634|1.861396|0.049446|1.812877|0.301631|0.500000| |17.675484|8.957070|6.745683|4.615156|5.997442|10.319175|3.472466|2.956017|2.461504|2.326231|2.545688|3.103556|26.966709|23.881804|6.519486|13.341243|6.255220|3.962144|3.344531|0.079793|3.601937|3.877944|4.274364|4.085851|4.205237|0.080732|0.079711|2.791672|2.860523|3.073338|6.016188|3.439410|2.261795|0.065778|2.174596|1.923406|1.719453|1.762419|1.948434|0.051783|1.937252|0.301232|0.298300|0.500000| |2.331917|2.833269|3.287836|4.100374|5.056324|5.302951|5.620268|8.951643|17.759394|8.900065|5.646263|4.974131|27.461472|54.954560|3.004892|4.506099|4.530556|3.803507|3.190085|0.093092|2.641858|2.840061|2.328255|2.019752|2.558340|0.048125|0.050514|2.016570|2.329436|2.931024|4.790862|3.879053|2.554576|0.065094|2.819734|2.401728|2.151860|2.027996|2.255101|0.066201|2.023778|0.060207|0.062486|0.062146|0.500000| |2.121023|2.532356|2.961374|3.554046|4.299232|4.626017|4.920031|5.663816|8.939462|17.733707|8.937510|5.667903|31.795613|31.815234|2.836500|4.381084|4.270526|3.251480|2.827134|0.084809|2.492189|2.812749|2.157226|1.938308|2.497566|0.047583|0.048575|2.011394|2.265462|2.478948|4.014866|3.282799|2.132015|0.054775|2.230961|1.934778|1.800164|1.747605|1.953090|0.057619|1.819248|0.056165|0.055502|0.057246|0.214497|0.500000| |2.411254|2.907833|3.485940|4.107715|4.782863|5.183506|5.618873|4.968972|5.645634|8.895837|17.759921|8.953087|54.825643|27.441390|3.410833|5.335069|4.967805|3.386032|2.874495|0.084193|2.696661|3.277169|2.336537|2.155413|2.742677|0.052742|0.052145|2.213419|2.419285|2.413461|3.956787|3.079337|1.968187|0.051667|1.986786|1.726948|1.610828|1.601346|1.799792|0.052086|1.728333|0.065018|0.061064|0.065352|0.123949|0.214346|0.500000| |4.261552|5.260650|6.927009|5.957800|6.333471|7.911743|5.334516|5.116266|4.005207|3.457228|3.514657|4.200263|29.103275|44.120991|7.307793|9.396467|12.287063|17.653344|8.720545|0.176656|6.241094|6.009187|5.786583|4.094322|4.581528|0.080867|0.089785|3.412473|4.241674|7.336038|13.092416|6.918146|4.003749|0.110209|3.888239|3.038069|2.585779|2.621177|3.103546|0.083466|2.898328|0.097203|0.111856|0.123064|0.100982|0.082304|0.084183|0.500000| |3.348140|4.180973|5.678354|5.820222|5.913172|6.737051|6.650238|6.800682|5.520285|4.717899|4.668070|5.376793|33.293037|48.243360|6.071883|7.967220|12.243544|17.655141|8.767400|0.229759|5.767555|6.280265|4.514526|3.470158|4.168903|0.074503|0.080757|3.337481|4.253036|6.170406|9.203904|6.795950|3.794656|0.097678|3.755873|2.903287|2.544347|2.558214|3.077720|0.086955|2.844441|0.081129|0.086502|0.094681|0.133349|0.108867|0.107519|0.301871|0.500000| |2.972352|3.366185|4.316631|3.838669|4.164016|5.149427|4.045450|3.596954|3.346412|3.433410|3.822230|4.203040|33.258547|24.846342|5.954416|9.487634|12.482172|6.833947|7.191388|0.211796|8.819060|17.522672|5.481438|4.754540|6.050282|0.106807|0.107119|5.652295|7.061371|4.583626|6.924234|5.327304|3.011694|0.079876|2.708984|2.232017|2.090589|2.221506|2.689660|0.075751|2.750817|0.075275|0.073857|0.089760|0.082471|0.085458|0.100476|0.140174|0.170336|0.500000| |3.566433|3.858714|4.833817|3.870101|4.273618|5.582756|3.691617|3.157532|2.831964|2.861967|3.239534|3.749137|32.780983|22.644210|7.672761|14.967513|12.484086|5.789063|5.697845|0.142978|8.535724|17.713550|6.870946|6.774837|7.506534|0.133755|0.123483|6.187309|6.307096|4.079248|6.736879|4.569117|2.703794|0.074681|2.430423|2.052577|1.910724|2.036019|2.403381|0.065795|2.496757|0.090132|0.085765|0.113710|0.070137|0.071132|0.085891|0.134164|0.132707|0.302474|0.500000| |4.478520|4.495369|5.115291|3.866928|4.488649|6.263890|3.374372|3.065924|2.633813|2.470791|2.618470|3.041553|24.336571|24.907155|6.933796|12.267768|9.616015|6.575248|6.720124|0.137552|8.715129|6.916880|17.654574|9.019617|7.640810|0.127145|0.144656|4.865006|5.513206|5.903552|11.825673|5.739105|3.455666|0.102331|3.036132|2.537280|2.269668|2.431336|2.858464|0.074223|2.931006|0.102798|0.114353|0.152605|0.067511|0.061398|0.066899|0.193734|0.133104|0.139473|0.179662|0.500000| |3.232709|3.230687|3.576532|2.980254|3.559354|4.837235|2.757570|2.626932|2.347767|2.208687|2.281416|2.535334|19.885134|21.685874|4.409329|7.765460|6.708781|5.182521|6.725598|0.142432|8.781050|5.475825|17.597575|8.907502|9.461467|0.144787|0.207847|5.727056|6.866865|7.070543|14.177356|6.989880|4.191551|0.129222|3.384366|2.824117|2.573582|2.881801|3.486471|0.087452|3.772130|0.077719|0.086282|0.103992|0.061709|0.056120|0.058977|0.145536|0.113160|0.123038|0.138590|0.307254|0.500000| |3.578329|3.457293|3.842806|3.047494|3.602920|4.980144|2.776816|2.469775|2.219124|2.191562|2.394226|2.715807|23.541621|18.922663|5.305574|11.857762|7.118323|4.187157|4.444979|0.107116|6.689864|6.677364|8.727874|17.656172|12.347193|0.223278|0.180753|6.868052|5.686322|3.730704|6.677145|4.188661|2.596805|0.074888|2.285330|1.982264|1.853597|2.009242|2.328584|0.061826|2.496216|0.090398|0.088212|0.121846|0.056637|0.055542|0.063777|0.109780|0.095994|0.142292|0.240459|0.212477|0.173062|0.500000| |3.400343|3.140777|3.307296|2.680574|3.275904|4.611742|2.420452|2.220930|1.996070|1.932581|2.056407|2.303968|19.314795|17.764574|4.137467|8.501310|5.523249|3.658919|4.011851|0.095033|5.453989|4.629824|8.791003|17.627704|12.367497|0.222299|0.225784|5.572984|4.885029|3.769347|7.209036|4.240901|2.727855|0.081729|2.363339|2.082804|1.942888|2.131592|2.437585|0.063010|2.651422|0.084755|0.088177|0.115985|0.051900|0.049351|0.054399|0.101847|0.084458|0.104787|0.140545|0.213823|0.216199|0.301501|0.500000| |2.535712|2.601035|2.978530|2.581445|3.035234|3.981473|2.543954|2.331956|2.196581|2.229913|2.413233|2.593686|21.890880|17.380280|3.864820|7.406569|6.029886|3.777776|4.452514|0.120985|6.696463|6.600319|5.706217|6.905873|12.444149|0.225207|0.181280|17.629074|8.746563|3.592215|5.848623|4.356612|2.636400|0.073090|2.271644|1.960173|1.892791|2.089196|2.482814|0.067731|2.753001|0.065648|0.064198|0.079581|0.056524|0.057815|0.065769|0.092152|0.092248|0.176207|0.208811|0.127234|0.132435|0.205530|0.142530|0.500000| |2.170842|2.206372|2.466697|2.194041|2.633507|3.452065|2.178765|2.063978|1.971363|1.977573|2.078142|2.186286|17.863806|15.803205|3.023747|5.599952|4.695752|3.231382|4.020827|0.111746|5.453058|4.588361|4.898749|5.563104|12.366051|0.222790|0.224748|17.623816|8.752484|3.544151|5.742350|4.534637|2.802727|0.078006|2.338921|2.041563|2.017735|2.293776|2.748400|0.074308|3.225226|0.056144|0.056439|0.067201|0.051804|0.052038|0.056484|0.080898|0.080434|0.125898|0.129298|0.107587|0.129035|0.141835|0.126501|0.301370|0.500000| |2.396674|2.497012|2.848897|2.543423|3.010912|3.904882|2.536802|2.471763|2.331838|2.259351|2.308614|2.444168|18.911197|19.495623|3.472611|5.995941|5.788011|4.475691|6.796658|0.183821|8.794986|5.452758|6.836311|5.659270|9.337126|0.143508|0.203595|8.877341|17.521310|6.249733|9.169147|7.908453|4.371142|0.120307|3.347311|2.763710|2.685573|3.136880|4.091435|0.107732|4.900810|0.060129|0.063245|0.073637|0.061848|0.058779|0.060829|0.110494|0.107736|0.144254|0.131719|0.139903|0.201683|0.131278|0.127763|0.173001|0.215439|0.500000| |2.368263|2.536584|2.986976|2.711600|3.141852|3.982892|2.802386|2.692358|2.589694|2.587242|2.686993|2.801142|21.733808|20.163996|3.722007|6.340903|6.554260|4.748386|6.771054|0.217711|8.761235|6.902399|5.512193|4.865223|7.617439|0.127091|0.143204|8.997720|17.562311|5.080975|7.294028|6.505860|3.584890|0.094240|2.966122|2.447810|2.380474|2.667709|3.388177|0.095102|3.760755|0.060171|0.061271|0.071917|0.067565|0.067430|0.071645|0.108891|0.119187|0.216448|0.159762|0.122712|0.139843|0.127577|0.107522|0.214275|0.212242|0.303860|0.500000| |2.257446|2.477489|2.856900|2.766135|3.284919|4.069629|2.914968|3.117755|3.019374|2.759954|2.617933|2.683942|18.914373|25.912962|3.152694|4.978282|5.370034|5.166248|7.508061|0.246580|5.143396|4.063528|4.121999|3.215322|4.372179|0.076530|0.092037|3.601226|5.032792|9.459142|10.893296|26.044367|9.029205|0.180966|6.617079|4.470814|4.177630|4.634016|7.134998|0.213070|6.002536|0.056178|0.061102|0.065791|0.083864|0.072136|0.066520|0.129399|0.142594|0.114729|0.092923|0.104840|0.121954|0.081523|0.079696|0.089599|0.093096|0.157201|0.143650|0.500000| |2.365074|2.583194|2.813207|2.802301|3.521514|4.413438|2.820809|3.160114|2.925339|2.503751|2.322860|2.439079|16.966052|31.018632|2.820208|4.423097|4.331108|4.186535|4.486737|0.117116|3.404041|2.925481|3.258564|2.595989|3.310695|0.059925|0.070171|2.476288|3.030590|6.300357|11.213092|9.646265|8.872652|0.216595|17.557575|8.804371|5.499253|4.863121|5.482536|0.140455|4.059868|0.058056|0.067135|0.066712|0.084518|0.064722|0.057910|0.127069|0.116575|0.077870|0.070821|0.092040|0.098772|0.066333|0.068572|0.063641|0.063951|0.090596|0.081045|0.163931|0.500000| |2.035454|2.231909|2.465908|2.500187|3.115808|3.833778|2.627845|2.983104|2.925938|2.549779|2.317683|2.349276|16.220940|27.420121|2.514680|3.976062|3.948391|3.707230|4.140691|0.118780|3.166484|2.763108|2.875328|2.357936|3.117142|0.056759|0.065866|2.414792|2.977924|5.281612|8.243047|9.672731|8.866153|0.174399|17.486705|8.848623|6.814906|5.700227|6.757443|0.202224|4.493548|0.050921|0.056793|0.057499|0.086554|0.067571|0.058347|0.103831|0.108159|0.076549|0.066715|0.078540|0.085505|0.060890|0.061425|0.062158|0.063596|0.089489|0.082994|0.195390|0.302613|0.500000| |1.934970|2.025324|2.126045|2.088964|2.702258|3.477342|2.073100|2.249546|2.133342|1.897993|1.787066|1.855967|13.398867|21.084476|2.146323|3.515306|3.176595|2.801756|3.062980|0.081351|2.599334|2.239910|2.604142|2.197733|2.888226|0.053311|0.062732|2.112524|2.462711|4.003635|7.512042|6.239580|6.764135|0.199845|8.854887|17.506770|8.850058|6.798516|5.615249|0.131513|4.155755|0.048434|0.055622|0.054860|0.061610|0.050166|0.045681|0.083165|0.076361|0.059837|0.056305|0.072100|0.080965|0.055728|0.059790|0.053857|0.056180|0.075475|0.065470|0.110550|0.214608|0.173684|0.500000| |1.836634|1.961894|2.075702|2.101621|2.728789|3.433187|2.138339|2.390588|2.316851|2.033551|1.870692|1.911537|13.521217|22.711891|2.061248|3.335395|3.067346|2.720973|2.882911|0.078952|2.398959|2.134714|2.325437|1.976407|2.597820|0.048244|0.055398|1.940529|2.266166|3.568318|6.341640|5.624310|5.486218|0.139707|8.846324|17.554650|8.807100|5.497159|4.798402|0.127266|3.508272|0.046298|0.052501|0.051348|0.068725|0.054227|0.047594|0.079672|0.077132|0.058068|0.053423|0.064811|0.069911|0.051091|0.053146|0.050252|0.051642|0.067885|0.061783|0.106670|0.211809|0.214986|0.303703|0.500000| |1.570143|1.642228|1.731630|1.720404|2.226037|2.836755|1.746925|1.894179|1.861165|1.694824|1.586640|1.608663|11.683085|16.994677|1.764145|2.925616|2.621716|2.236760|2.469797|0.068710|2.159477|1.898164|2.105053|1.842678|2.504733|0.046906|0.054328|1.871757|2.144878|2.995713|5.252959|4.858300|4.835057|0.127037|5.501263|8.817285|17.551897|8.842494|5.461602|0.140088|4.076960|0.040049|0.044547|0.044508|0.054289|0.045801|0.041167|0.063723|0.062220|0.052023|0.048189|0.057044|0.064118|0.047278|0.049846|0.047913|0.051066|0.065782|0.058607|0.093903|0.123209|0.139654|0.214702|0.210859|0.500000| |1.620651|1.723955|1.851408|1.859204|2.374157|2.977167|1.928390|2.122126|2.120701|1.925556|1.777841|1.780727|12.732627|18.839421|1.895283|3.105828|2.876725|2.495399|2.787925|0.079957|2.365957|2.085658|2.225448|1.925013|2.626629|0.048855|0.056411|2.012290|2.359235|3.353120|5.579441|5.756175|5.652660|0.131333|6.801924|8.852774|17.502788|8.848485|6.711719|0.200777|4.498426|0.041295|0.045489|0.045902|0.062516|0.052325|0.045973|0.069662|0.070878|0.058066|0.052199|0.059916|0.066895|0.049676|0.051169|0.051630|0.054794|0.072110|0.065817|0.116894|0.139481|0.200638|0.173699|0.214582|0.303596|0.500000| |1.724276|1.779430|1.886127|1.819042|2.319526|2.999208|1.819100|1.923474|1.856600|1.708966|1.633917|1.680424|12.405285|16.952427|1.977123|3.314425|2.964833|2.523871|2.944961|0.080370|2.628155|2.203641|2.609896|2.263725|3.131636|0.057833|0.069962|2.310794|2.674387|3.758418|6.657468|6.258242|6.816014|0.201286|5.694072|6.810322|8.857882|17.491028|8.853242|0.174370|6.992596|0.043652|0.048673|0.049858|0.052840|0.045682|0.042509|0.071607|0.067755|0.059567|0.055846|0.068833|0.082839|0.056550|0.061374|0.057504|0.063360|0.085838|0.071168|0.113897|0.127464|0.131812|0.200461|0.139595|0.215397|0.173730|0.500000| |1.562158|1.627252|1.740346|1.700215|2.160482|2.759089|1.734256|1.844814|1.821388|1.695189|1.608404|1.625838|11.957663|15.916475|1.828489|3.063261|2.768169|2.332677|2.721517|0.077345|2.431786|2.081038|2.328614|2.052900|2.894217|0.053874|0.063818|2.201338|2.543773|3.286173|5.517269|5.630582|5.513892|0.140183|4.858565|5.501517|8.824161|17.544299|8.852699|0.215945|6.978667|0.039912|0.043668|0.044992|0.052232|0.045923|0.042133|0.064515|0.063993|0.057577|0.052716|0.060948|0.071776|0.052065|0.054913|0.055208|0.061357|0.080879|0.069934|0.111347|0.107004|0.127424|0.139596|0.123242|0.212584|0.214598|0.303769|0.500000| |1.658407|1.719285|1.864388|1.782526|2.224928|2.855197|1.814886|1.884662|1.851869|1.757222|1.700665|1.726968|12.911182|15.730192|2.028221|3.440133|3.128389|2.586141|3.210754|0.092581|2.994851|2.464474|2.812288|2.500290|3.703496|0.068000|0.083634|2.887511|3.380827|3.787111|6.096126|6.537383|5.455714|0.141308|4.048894|3.821461|4.564142|6.980791|8.799676|0.212285|17.559056|0.042351|0.045668|0.048619|0.051942|0.047387|0.044902|0.069476|0.069282|0.068528|0.062329|0.070405|0.087801|0.062332|0.065733|0.069943|0.082825|0.114357|0.092782|0.131825|0.094766|0.107505|0.101279|0.088443|0.109963|0.120189|0.175824|0.212721|0.500000| 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