Version2.0 2020-01-10T03:30:32Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 08-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1C)CCNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4cccc(c4C)OC(=O)C C39609278 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1C)CCNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4cccc(c4C)OC(=O)C C01[X(C29H38N3O4)] 216 C1 616 CC(=O)Oc1cccc(c1C)C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NCCc1ccc(c(c1)C)C CC(=O)Oc1cccc(c1C)C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NCCc1ccc(c(c1)C)C CC(=O)Oc1cccc(c1C)C(=O)N2C[C@@H](C(=O)NCCc3ccc(C)c(C)c3)C4(CC[NH2+]CC4)C2 InChIKey=GWKMLXMUWGRTDN-VWLOTQADSA-O InChI=1S/C29H37N3O4/c1-19-8-9-23(16-20(19)2)10-13-31-27(34)25-17-32(18-29(25)11-14-30-15-12-29)28(35)24-6-5-7-26(21(24)3)36-22(4)33/h5-9,16,25,30H,10-15,17-18H2,1-4H3,(H,31,34)/p+1/t25-/m0/s1 InChI=1/C29H37N3O4/c1-19-8-9-23(16-20(19)2)10-13-31-27(34)25-17-32(18-29(25)11-14-30-15-12-29)28(35)24-6-5-7-26(21(24)3)36-22(4)33/h5-9,16,25,30H,10-15,17-18H2,1-4H3,(H,31,34)/p+1/t25-/m0/s1/fC29H38N3O4/h30-31H/q+1 Cc1ccc(cc1C)CCNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4cccc(c4C)OC(=O)C C01[X(C29H38N3O4)] 216 C01 616 CC(=O)Oc1cccc(c1C)C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NCCc1ccc(c(c1)C)C CC(=O)Oc1cccc(c1C)C(=O)N1C[C@H](C2(C1)CC[NH2]CC2)C(=O)NCCc1ccc(c(c1)C)C CC(=O)Oc1cccc(c1C)C(=O)N2C[C@@H](C(=O)NCCc3ccc(C)c(C)c3)C4(CC[NH2]CC4)C2 InChIKey=FDPPKLDVCHTGLD-VWLOTQADSA-N InChI=1S/C29H38N3O4/c1-19-8-9-23(16-20(19)2)10-13-31-27(34)25-17-32(18-29(25)11-14-30-15-12-29)28(35)24-6-5-7-26(21(24)3)36-22(4)33/h5-9,16,25H,10-15,17-18,30H2,1-4H3,(H,31,34)/t25-/m0/s1 InChI=1/C29H38N3O4/c1-19-8-9-23(16-20(19)2)10-13-31-27(34)25-17-32(18-29(25)11-14-30-15-12-29)28(35)24-6-5-7-26(21(24)3)36-22(4)33/h5-9,16,25H,10-15,17-18,30H2,1-4H3,(H,31,34)/t25-/m0/s1/f/h31H 3892.2796428573 -1582.9818308 1-A 24177.9454 132 484 616 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.69474 -20.63373 -20.62572 -20.61600 -15.85599 -15.68554 -15.68142 -11.46418 -11.45204 -11.44434 -11.44430 -11.43887 -11.38143 -11.37839 -11.37513 -11.37348 -11.36928 -11.36910 -11.36201 -11.34069 -11.33517 -11.32953 -11.31845 -11.31652 -11.31511 -11.31026 -11.30837 -11.30376 -11.29389 -11.29051 -11.28757 -11.28173 -11.28123 -11.27948 -11.27243 -11.26888 -1.56033 -1.49375 -1.49105 -1.48655 -1.45698 -1.36793 -1.33219 -1.25566 -1.24471 -1.21856 -1.20612 -1.16660 -1.14319 -1.13861 -1.13159 -1.10563 -1.09147 -1.08321 -1.07453 -1.03965 -1.03387 -1.02628 -1.00915 -0.99438 -0.97576 -0.95288 -0.94103 -0.92869 -0.92736 -0.90822 -0.89001 -0.87111 -0.86884 -0.85929 -0.83549 -0.82519 -0.81743 -0.81160 -0.79348 -0.77639 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123.90 156.62 159.02 186.52 191.24 213.05 223.30 231.74 246.11 263.70 267.16 274.96 297.54 318.47 347.10 361.70 378.14 403.70 440.33 450.00 458.57 468.40 470.79 479.15 494.49 526.85 546.80 563.30 588.21 605.62 658.42 661.77 694.27 706.44 714.70 730.70 753.24 789.59 793.92 800.84 832.13 846.36 872.36 914.47 937.35 960.25 970.12 997.53 1025.23 1078.36 1131.29 1150.55 1160.29 1165.41 1179.98 1202.21 1221.35 1225.98 1244.73 1259.27 1261.66 1282.72 1306.20 1342.79 1357.15 1362.81 1371.44 1415.08 1443.92 1459.78 1464.05 1491.51 1515.84 1526.98 1537.51 1551.40 1564.87 1573.80 1582.41 1590.94 1600.75 1603.30 1619.88 1630.53 1631.67 1661.76 1663.24 1665.02 1676.27 1683.84 1694.47 1700.56 1701.08 1702.90 1712.47 1768.10 1781.18 1781.68 1797.81 1801.89 1842.77 1873.46 1881.30 1884.79 1901.98 1915.21 1917.43 1950.14 1952.63 1958.42 1961.50 1971.23 1986.77 1991.92 2014.70 2039.57 2057.73 2077.63 2082.23 2085.79 2091.79 2094.56 2119.24 2143.26 2168.22 2199.95 2207.41 2226.54 2235.55 2240.69 2244.07 2248.52 2250.06 2256.65 2261.14 2267.41 2273.87 2276.46 2315.95 2326.63 2337.08 2338.73 2350.09 2353.09 2357.94 2359.71 2360.04 2360.20 2369.13 2370.26 2372.68 2386.51 2391.07 2400.40 2412.24 2418.13 2432.44 2472.71 2552.63 2568.40 2602.82 2623.07 2626.21 2732.28 2799.31 2906.66 4604.58 4607.40 4607.59 4612.53 4616.02 4637.09 4653.75 4659.74 4671.88 4675.38 4677.08 4680.87 4685.08 4685.15 4711.42 4717.49 4721.67 4724.30 4729.16 4734.37 4738.32 4742.59 4748.69 4752.17 4752.90 4764.83 4797.54 4806.62 4807.23 4814.63 4815.07 4847.97 4860.13 4878.93 4897.56 5264.38 5365.25 5591.29 0.685111 0.719015 0.719959 0.612594 -1582.296720 -1582.262816 -1582.261871 -1582.369237 3.601073D-04 MUNgauss RevisionA2.0 retrievium 10-Jan-2020 DUDE Cc1ccc(cc1C)CCNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4cccc(c4C)OC(=O)C C39609278 RHF 6-31G(d) (6D,10F) C1 492.286232 |X|Y|Z| 123.168484 85.782961 40.603157 75.420049 27 6 7 24 3 |36.858105| |12.605502|36.858105| |7.580100|13.742329|36.858105| |5.013520|7.872442|13.744610|36.858105| |4.408768|6.779695|7.930358|13.764184|36.858105| |5.013981|7.927396|6.953596|8.002005|13.698326|36.858105| |7.509247|13.596746|7.947279|6.842560|7.834436|13.740290|36.858105| |6.438734|7.516458|5.021262|4.435076|5.004002|7.588661|12.603261|36.858105| |3.265311|4.406722|5.016866|7.547730|12.588075|7.546271|4.995000|3.786908|36.858105| |2.913654|3.753313|4.187523|5.702566|7.563693|5.684875|4.167763|3.342008|12.459384|36.858105| |2.391420|2.937601|3.222293|4.121292|5.015515|4.122506|3.217035|2.728885|7.776883|13.036891|53.358707| |2.131531|2.539708|2.745059|3.338335|3.844495|3.342274|2.743580|2.401723|5.117252|7.772229|19.425123|36.858105| |2.150328|2.537361|2.722247|3.231277|3.635466|3.234497|2.720545|2.399398|4.465132|6.852147|11.604934|15.740087|73.516695| |1.839014|2.141833|2.297124|2.722341|3.055746|2.720507|2.293862|2.054886|3.922500|4.985471|10.643987|12.463116|14.187958|36.858105| |1.791280|2.076536|2.261425|2.683216|2.924606|2.557773|2.182439|1.941019|3.708554|4.559561|9.127463|9.072310|11.753804|17.502703|0.500000| |1.775384|2.063434|2.186112|2.578024|2.943786|2.667548|2.238319|2.028981|3.811837|4.385801|8.892354|7.319400|9.266013|12.388438|0.247400|36.858105| |1.567410|1.786723|1.875401|2.155876|2.406360|2.229713|1.922486|1.775956|2.953020|3.322280|6.023333|5.110188|7.400962|8.117529|0.189803|13.071707|53.358707| |1.504832|1.701620|1.788988|2.036950|2.234817|2.073085|1.812416|1.677611|2.677059|3.102514|5.459962|5.007027|7.805507|8.021235|0.197393|7.867831|17.880136|36.858105| |1.657226|1.891701|1.995496|2.292403|2.533426|2.333355|2.021023|1.853248|3.062930|3.781668|6.854305|7.305100|11.732734|12.290404|0.247961|7.810289|11.027512|12.375698|36.858105| |1.602508|1.810690|1.923779|2.184932|2.346243|2.151412|1.899362|1.738569|2.747427|3.397647|5.724571|5.889257|11.047847|7.478387|0.202399|5.015410|6.992183|7.423221|12.377571|36.858105| |1.461469|1.626366|1.705058|1.896217|2.023321|1.896766|1.704531|1.587435|2.298947|2.758376|4.394562|4.163519|8.035817|4.858999|0.129236|3.824892|5.667880|5.908337|7.439663|12.514941|36.858105| |1.495023|1.661097|1.716558|1.894979|2.047362|1.956773|1.761383|1.659969|2.302131|2.776111|4.320320|4.048783|8.103737|4.404078|0.109684|3.613397|5.238064|5.019551|6.483706|7.733706|12.656984|53.358707| |1.404192|1.545199|1.588322|1.734204|1.860525|1.793494|1.632991|1.552671|2.060419|2.435211|3.704723|3.337734|6.593551|3.582998|0.091373|3.070184|4.498979|4.175046|4.901624|5.692608|9.154457|25.694022|0.500000| |1.588922|1.769687|1.828376|2.017258|2.178660|2.083306|1.876228|1.762691|2.432685|2.993891|4.561973|4.317916|9.243760|4.361508|0.108294|3.482739|4.793225|4.355035|5.918199|7.183250|9.210855|25.645893|0.327347|0.500000| |1.520028|1.698914|1.741584|1.932730|2.130410|2.055751|1.829498|1.734878|2.430222|2.905769|4.627959|4.297935|8.098873|4.848338|0.113183|4.243501|6.352767|5.945738|7.422589|6.485261|7.630355|17.225473|0.254408|0.255648|36.858105| |1.680596|1.912504|1.975936|2.240395|2.518691|2.394405|2.078310|1.939832|2.981857|3.685174|6.274236|6.283519|11.176049|7.440778|0.152800|6.126074|8.476632|7.526968|12.309819|7.518600|6.473427|10.493037|0.157862|0.198526|12.506016|36.858105| |1.450881|1.638065|1.709773|1.942261|2.150437|2.014701|1.757966|1.640657|2.583844|2.782336|4.774870|3.795562|5.718600|5.201383|0.133567|7.564591|19.002731|7.845298|5.215538|3.868203|3.381278|4.301797|0.078517|0.080222|3.760765|4.492525|36.858105| |1.333944|1.490375|1.551691|1.741526|1.902475|1.794051|1.588052|1.492701|2.234150|2.402742|3.992288|3.204458|5.022960|4.230449|0.112489|5.308260|11.623926|7.060980|4.574345|3.637814|3.349917|4.207591|0.078484|0.076987|3.615291|4.001807|15.888990|73.516695| |1.488865|1.685889|1.754903|1.997772|2.229673|2.095339|1.819372|1.699500|2.691864|2.776104|4.677842|3.469594|5.176336|4.368911|0.113397|6.559644|10.645444|5.036257|4.001819|3.110947|2.727952|3.554710|0.065705|0.068170|3.052237|3.637495|12.660452|14.224280|36.858105| |1.440497|1.624148|1.704080|1.936105|2.124733|1.977415|1.731361|1.609600|2.540909|2.557383|4.214935|3.057605|4.606777|3.738777|0.103042|5.102535|7.616505|4.103991|3.360148|2.765512|2.429454|3.108224|0.058025|0.060081|2.568267|2.984237|7.730890|11.101397|13.708368|36.858105| |1.452882|1.635315|1.710617|1.935618|2.122649|1.985656|1.744221|1.625801|2.511388|2.439208|3.893166|2.726678|4.149966|3.148890|0.086734|4.106333|5.640820|3.218947|2.797181|2.361105|2.093756|2.717647|0.051138|0.053232|2.223758|2.559145|5.081197|7.736810|7.928618|13.791543|36.858105| |1.518262|1.713296|1.771549|1.999646|2.228615|2.118452|1.852126|1.740508|2.628482|2.503733|3.928056|2.695045|4.115313|3.006358|0.080379|3.930770|5.193295|2.968831|2.667081|2.234924|1.994425|2.647049|0.049880|0.052244|2.191417|2.531665|4.468325|6.727182|6.896629|7.976067|13.764486|36.858105| |1.571856|1.782032|1.824801|2.062915|2.343932|2.258549|1.955788|1.850842|2.788006|2.700991|4.284673|2.960181|4.500338|3.304306|0.085005|4.490302|5.915857|3.274425|2.956266|2.406280|2.150798|2.907078|0.054519|0.057290|2.469695|2.893982|5.045499|7.299264|8.038322|6.946493|7.983800|13.822396|36.858105| |1.552578|1.762638|1.810607|2.054789|2.336516|2.239118|1.932643|1.823799|2.812065|2.848384|4.690697|3.376848|5.078232|3.975036|0.099338|5.821450|8.247642|4.197817|3.629418|2.827919|2.514340|3.397745|0.063087|0.066027|2.969395|3.550265|7.510655|9.862442|13.670491|7.854952|6.782748|7.848049|13.715961|36.858105| |1.566371|1.774310|1.797920|2.023653|2.325020|2.277955|1.969243|1.884945|2.760083|2.869665|4.656756|3.445388|5.311716|3.947975|0.094442|5.454571|7.842103|4.248316|3.810809|2.917210|2.652666|3.729819|0.069293|0.072316|3.408443|4.067959|6.304149|8.893517|7.456835|4.977211|4.412138|5.013189|7.574595|12.596109|36.858105| |1.614457|1.825230|1.839173|2.057112|2.361132|2.335671|2.030288|1.953113|2.747198|2.612718|3.989158|2.720238|4.220600|2.900535|0.073957|3.726648|4.805455|2.801815|2.627528|2.174117|1.969893|2.715620|0.051293|0.054044|2.306156|2.667110|3.863417|5.841977|5.226741|4.619809|5.247315|8.075205|13.785575|7.943697|6.709292|73.516695| |1.806455|2.067569|2.065174|2.323572|2.736332|2.748208|2.346473|2.258583|3.200295|2.967410|4.436290|2.928559|4.534033|2.993516|0.075389|3.765534|4.585121|2.716461|2.653975|2.198906|1.975685|2.751708|0.051722|0.055530|2.330238|2.736485|3.460069|5.202052|4.366904|3.859392|4.232732|5.820590|8.110603|6.123741|5.874592|25.227343|36.858105| |1.979912|2.311920|2.330279|2.683118|3.246260|3.206795|2.648689|2.491688|3.973533|3.632226|5.520086|3.501371|5.279271|3.502920|0.087000|4.477176|5.089076|2.974104|2.980748|2.435740|2.142066|2.975131|0.055252|0.060523|2.516708|3.050084|3.663570|5.365134|4.529377|3.955972|4.191351|5.386964|7.117744|6.072925|5.785905|15.211089|16.063307|73.516695| |1.788517|2.017804|1.974138|2.168873|2.533697|2.633971|2.306305|2.288180|2.822343|2.595646|3.714963|2.475980|3.953689|2.474323|0.062917|2.946693|3.675174|2.275699|2.250301|1.914601|1.752465|2.466526|0.046916|0.050051|2.067005|2.358851|2.760610|4.313283|3.299271|3.004478|3.288115|4.264080|5.225462|4.272123|4.384152|14.462457|12.692269|14.125615|36.858105| |17.542422|8.817564|5.892708|4.292023|3.944224|4.575824|6.657563|6.498967|3.013660|2.651229|3.025128|1.981577|3.519957|1.733304|0.046843|1.695871|2.048171|1.436561|1.566490|1.505606|1.378649|1.920505|0.036915|0.041406|1.443386|1.591385|1.404492|2.298426|1.451793|1.408598|1.431283|1.504464|1.554023|1.521811|1.532934|2.859956|1.803300|3.483991|1.807896|0.500000| |17.541351|8.816049|5.882118|4.285556|3.940843|4.574444|6.661091|6.505002|3.015516|2.791134|3.133077|2.084241|3.790515|1.795724|0.048340|1.723684|2.083958|1.480008|1.636970|1.589823|1.461036|2.050288|0.039431|0.044666|1.527387|1.676346|1.414434|2.319739|1.441800|1.386780|1.390976|1.452765|1.513268|1.504847|1.532688|2.766926|1.736884|3.369993|1.725718|0.302700|0.500000| |17.589155|8.856870|7.318300|4.776808|3.965068|4.183247|5.553895|4.727841|3.027530|2.730720|3.087906|2.036635|3.658039|1.768720|0.048334|1.698255|2.049466|1.452828|1.595827|1.557475|1.420932|1.963571|0.037700|0.042544|1.455365|1.602661|1.395860|2.290083|1.428117|1.390729|1.401525|1.453297|1.493199|1.476514|1.479870|2.705331|1.685996|3.275535|1.659165|0.302128|0.302081|0.500000| |7.058873|8.942609|17.706489|8.950289|5.652783|4.992895|5.647902|4.086964|4.095840|3.570050|3.894572|2.493872|4.422742|2.122810|0.058784|2.011191|2.376817|1.678961|1.861216|1.818093|1.620131|2.204385|0.041822|0.047826|1.627808|1.827752|1.600153|2.600739|1.635946|1.601361|1.607234|1.650487|1.685106|1.672658|1.652566|3.001957|1.871255|3.712248|1.790763|0.153355|0.152917|0.226774|0.500000| |4.100223|5.625348|8.930463|17.692141|8.906057|5.662008|4.934427|3.546195|6.970889|5.569381|5.737511|3.426277|5.839036|2.818497|0.078997|2.637421|2.997446|2.089549|2.346390|2.260410|1.942000|2.599585|0.048444|0.056299|1.930467|2.240398|1.980243|3.159729|2.028256|1.986795|1.979038|2.014790|2.053739|2.052688|1.994424|3.583064|2.242857|4.596131|2.066188|0.099673|0.099466|0.114056|0.216873|0.500000| |4.087654|5.644116|4.990872|5.676214|8.932660|17.681188|8.959831|7.094386|7.029998|5.575821|5.771638|3.447905|5.869494|2.824726|0.072282|2.827825|3.208002|2.166830|2.433810|2.200559|1.946910|2.765525|0.051659|0.059881|2.172996|2.548467|2.130618|3.352809|2.229840|2.074644|2.083624|2.256120|2.451599|2.429918|2.513379|4.583650|3.107603|6.518494|2.999649|0.107776|0.107701|0.096099|0.108152|0.124337|0.500000| |6.507124|6.668677|4.579558|3.960335|4.278082|5.888913|8.817878|17.542374|3.340486|3.094170|3.463793|2.290127|4.144942|1.959901|0.051486|1.911390|2.298996|1.614611|1.791740|1.699794|1.565330|2.239853|0.042955|0.048801|1.705874|1.885775|1.557342|2.535427|1.596402|1.509488|1.514122|1.609228|1.711619|1.702367|1.770256|3.192274|2.049004|3.986936|2.071578|0.173367|0.211740|0.133175|0.107641|0.090178|0.153544|0.500000| |6.507798|6.670818|4.584365|3.965460|4.283176|5.895283|8.819663|17.544714|3.338427|2.907126|3.319926|2.156173|3.798649|1.879698|0.049690|1.873859|2.251420|1.558789|1.700621|1.598108|1.465342|2.073827|0.039762|0.044640|1.591334|1.767400|1.544234|2.507868|1.610145|1.537850|1.566636|1.680517|1.771488|1.727255|1.770908|3.338116|2.161013|4.180505|2.218970|0.211531|0.173549|0.133163|0.107779|0.090328|0.153874|0.302814|0.500000| |4.726895|5.554356|4.187213|3.986265|4.774074|7.326509|8.849832|17.583492|3.840389|3.417922|3.855638|2.493507|4.401826|2.139032|0.055452|2.137042|2.543254|1.752682|1.934030|1.791126|1.637910|2.350473|0.044814|0.050820|1.827911|2.051692|1.727077|2.782936|1.796106|1.685238|1.702370|1.840782|1.982328|1.952550|2.042473|3.766189|2.485495|4.877556|2.548155|0.133038|0.133118|0.103922|0.096096|0.090650|0.228309|0.301968|0.302076|0.500000| |3.027179|3.964976|4.221416|5.668317|8.889925|7.141213|4.721332|3.791117|17.532092|8.871219|9.717102|4.829656|7.317588|3.887906|0.099424|4.027301|4.214296|2.726706|3.057995|2.662601|2.250362|3.097718|0.056703|0.066093|2.459883|3.035952|2.739954|4.162207|2.927998|2.729735|2.731490|2.939253|3.178821|3.156827|3.107150|5.676319|3.870239|8.947011|3.360637|0.079730|0.078201|0.076998|0.097234|0.143240|0.215499|0.091217|0.093690|0.111393|0.500000| |3.027249|3.960084|4.723699|7.132055|8.902964|5.673186|4.201635|3.259224|17.527621|8.873999|9.677630|4.807868|7.288676|3.885290|0.106504|3.805212|4.017956|2.664159|2.986393|2.705099|2.246604|2.996366|0.054847|0.063982|2.302912|2.805278|2.607922|4.010229|2.738602|2.652065|2.639427|2.716688|2.802078|2.798132|2.659524|4.807056|3.081320|6.723594|2.686820|0.078230|0.076710|0.080067|0.112169|0.212699|0.144318|0.080715|0.082496|0.090268|0.302824|0.500000| |2.970079|3.794280|4.425530|6.051419|6.877463|5.058942|3.976006|3.156976|8.812336|17.600118|12.431237|6.926160|12.139407|4.576740|0.122578|3.840617|4.116998|2.922092|3.580140|3.402011|2.759510|3.722940|0.066908|0.082861|2.764653|3.406969|2.548737|3.984726|2.504178|2.344797|2.230237|2.252033|2.387234|2.516411|2.518025|4.080409|2.551391|5.387616|2.265712|0.073704|0.079169|0.078879|0.107345|0.174948|0.129695|0.082979|0.076754|0.087087|0.173545|0.212042|0.500000| |2.978108|3.811278|4.017789|5.096267|6.899888|6.042644|4.423452|3.642784|8.819929|17.600045|12.440725|6.960599|12.245167|4.564602|0.111793|4.054258|4.316290|2.997575|3.695307|3.312299|2.762380|3.917477|0.070285|0.087508|3.043757|3.836571|2.664726|4.124546|2.639779|2.392564|2.280247|2.369095|2.601510|2.760520|2.880170|4.563251|2.941791|6.330684|2.623529|0.075125|0.081043|0.076131|0.094302|0.130183|0.174679|0.094799|0.085702|0.105824|0.211467|0.173634|0.303380|0.500000| |2.293485|2.801935|3.070238|3.916961|4.755883|3.921989|3.067666|2.620533|7.590287|9.002080|26.073348|9.418338|10.870783|7.439434|0.184155|7.491992|6.487935|4.049623|4.718291|3.840002|2.992872|3.955518|0.070025|0.083188|3.162302|4.224480|3.846026|5.574104|3.923286|3.561838|3.311005|3.346252|3.630936|3.931375|3.735185|5.885019|3.688794|8.416385|2.985462|0.059993|0.060730|0.060535|0.076086|0.112201|0.113093|0.067059|0.066077|0.075842|0.213470|0.212335|0.187648|0.187506|0.500000| |1.858289|2.172602|2.268232|2.672421|3.141813|2.907629|2.405412|2.196448|4.099610|4.665001|9.202501|6.980288|9.085117|8.736567|0.175428|17.597792|12.295455|6.077812|6.416358|4.311158|3.464114|4.709634|0.082428|0.094054|4.203028|6.129922|6.395592|8.260212|6.202664|4.665058|3.969897|4.060081|4.946339|6.458881|6.649996|7.573016|4.479868|9.875871|3.414105|0.049464|0.050212|0.048882|0.057266|0.074341|0.087897|0.057124|0.056036|0.065212|0.125982|0.109230|0.108434|0.124247|0.214993|0.500000| |1.792491|2.089518|2.238536|2.664784|3.018951|2.684906|2.248534|2.018807|3.970441|4.314746|8.565033|6.182611|7.970702|8.714642|0.225317|17.608099|12.301509|5.990087|5.697761|4.201598|3.274463|4.147135|0.073547|0.082316|3.433716|4.567388|6.894363|8.756259|6.949674|5.960057|4.822049|4.467237|4.839422|5.884812|4.913320|6.891139|3.887658|8.304357|2.993495|0.047715|0.047885|0.047825|0.057374|0.076742|0.078163|0.052419|0.052200|0.058668|0.116738|0.115139|0.105587|0.106451|0.224494|0.303014|0.500000| |1.415069|1.585812|1.650996|1.855327|2.030785|1.914595|1.691759|1.585729|2.381981|2.722405|4.591069|4.082565|6.678601|5.701051|0.141434|5.819036|12.449377|17.617011|8.593868|6.186825|5.891467|7.180861|0.126020|0.121078|6.642217|7.118647|7.166267|13.229259|4.635461|3.752837|2.984483|2.785671|3.099763|3.979688|4.214340|4.788622|2.581135|4.907456|2.197715|0.037655|0.038840|0.037909|0.043131|0.052457|0.055834|0.042583|0.041040|0.046160|0.067820|0.065279|0.071376|0.074567|0.093960|0.139822|0.129453|0.500000| |1.448169|1.630092|1.727409|1.962639|2.117584|1.947010|1.715739|1.581835|2.515892|2.877861|4.973838|4.444320|7.024182|6.779786|0.197632|6.351298|12.347718|17.522374|8.734384|7.155375|5.698064|6.054615|0.105886|0.108441|4.757074|5.508609|6.817061|11.929207|4.594779|4.038161|3.156305|2.825606|3.002387|3.707859|3.577070|4.546444|2.463668|4.762051|2.082811|0.038390|0.039457|0.039098|0.045418|0.056563|0.055843|0.042343|0.041035|0.045532|0.070224|0.070860|0.076947|0.075963|0.103199|0.135426|0.152001|0.303698|0.500000| |1.547581|1.743217|1.868949|2.124021|2.247931|2.040007|1.809475|1.648993|2.629555|3.170378|5.320573|5.157813|9.148386|6.736529|0.214527|4.748000|6.724304|7.006220|8.789728|17.566918|8.993529|7.646678|0.127084|0.145263|4.883241|5.484266|3.846273|6.536083|3.094683|2.833397|2.404585|2.231386|2.353667|2.738587|2.733200|3.737304|2.105929|4.128967|1.830744|0.040454|0.042418|0.042055|0.049465|0.061853|0.057428|0.044668|0.042393|0.046894|0.070378|0.073581|0.089386|0.083665|0.102026|0.109610|0.116514|0.157925|0.223209|0.500000| |1.720839|1.954148|2.087698|2.380070|2.544922|2.316083|2.042249|1.853225|2.964920|3.803231|6.254540|6.682984|14.396850|7.033864|0.190233|4.572122|5.878039|5.485030|8.853726|17.604464|8.913260|9.468671|0.145569|0.211057|5.643822|6.676851|3.335029|5.497793|2.811280|2.528590|2.209266|2.117397|2.274767|2.618192|2.707353|3.709107|2.145780|4.262812|1.883796|0.044540|0.047552|0.046491|0.054747|0.068507|0.065247|0.050557|0.046984|0.052763|0.078148|0.080343|0.108875|0.103426|0.111258|0.113256|0.108998|0.130502|0.145886|0.303539|0.500000| |1.368299|1.515847|1.584521|1.755721|1.872815|1.763342|1.589401|1.488684|2.125843|2.488782|3.971970|3.632787|6.684201|4.405357|0.118503|3.713068|5.863664|6.371557|6.630415|8.708311|17.617077|12.435090|0.222051|0.181052|7.059692|5.749464|3.610732|6.622616|2.835641|2.522594|2.147881|2.027302|2.181180|2.572260|2.703391|3.522437|1.957116|3.728615|1.733897|0.036066|0.037912|0.036971|0.041903|0.049933|0.050439|0.040659|0.038409|0.042753|0.058433|0.058102|0.068449|0.068887|0.077090|0.092757|0.088949|0.193698|0.176358|0.212590|0.172922|0.500000| |1.426931|1.577087|1.657542|1.828820|1.924210|1.802517|1.636918|1.524286|2.152104|2.565802|3.970488|3.658881|7.223448|4.046547|0.111814|3.229827|4.657689|4.528554|5.440298|8.776257|17.626708|12.353881|0.224112|0.222032|5.589922|4.862905|2.874893|5.097199|2.388170|2.173248|1.900507|1.810063|1.929380|2.212074|2.309209|3.164908|1.790484|3.438974|1.604978|0.037297|0.039721|0.038740|0.044079|0.052228|0.050923|0.041987|0.039157|0.043387|0.057910|0.058659|0.072738|0.071245|0.074880|0.082010|0.079318|0.124408|0.127194|0.212057|0.216205|0.300991|0.500000| |1.414463|1.572092|1.612167|1.782695|1.953476|1.884971|1.686281|1.605010|2.223892|2.590354|4.131844|3.712442|6.710500|4.385445|0.105711|4.072428|6.590852|6.387124|6.591408|5.735877|7.050575|12.451283|0.222856|0.181142|17.632966|8.698416|4.061808|7.256156|3.189871|2.670689|2.282305|2.227373|2.504216|3.048054|3.488646|4.112647|2.288880|4.326194|2.027507|0.037511|0.039358|0.037722|0.042048|0.049643|0.055270|0.043716|0.041230|0.046928|0.062933|0.059266|0.068480|0.074187|0.080585|0.109989|0.092769|0.229002|0.142097|0.129114|0.131840|0.215773|0.144864|0.500000| |1.522837|1.693823|1.716227|1.886219|2.087242|2.049448|1.836188|1.763234|2.342586|2.775520|4.272961|3.819375|7.312981|4.040383|0.095220|3.669331|5.312106|4.557025|5.434163|4.875832|5.590767|12.358244|0.224070|0.222206|17.626362|8.786068|3.280615|5.605141|2.773419|2.345062|2.069840|2.072573|2.350190|2.780990|3.268648|3.988528|2.287740|4.358020|2.064622|0.040232|0.042775|0.040319|0.044449|0.051785|0.060623|0.048421|0.044826|0.051913|0.066254|0.060929|0.073027|0.082640|0.080909|0.105124|0.084386|0.139590|0.104888|0.107592|0.126906|0.144834|0.126494|0.301358|0.500000| |1.827554|2.095926|2.159895|2.457268|2.790597|2.661155|2.293271|2.130295|3.294687|4.258079|7.057347|7.307579|14.629103|6.975687|0.144429|5.451082|6.763430|5.522228|8.787069|6.642588|5.610358|9.421519|0.145191|0.209119|8.945350|17.620264|3.749679|5.915949|3.221994|2.708177|2.384620|2.390983|2.720051|3.226293|3.671276|4.554871|2.698707|5.424749|2.355102|0.047727|0.050876|0.048188|0.055088|0.067667|0.078849|0.057761|0.053278|0.062674|0.092083|0.084023|0.108924|0.128145|0.124666|0.158807|0.117827|0.141748|0.122989|0.136743|0.191193|0.131653|0.125993|0.173274|0.218217|0.500000| |1.669243|1.901383|1.948094|2.207437|2.515849|2.421162|2.089738|1.966974|2.996653|3.580121|6.100135|5.596505|9.235861|6.671057|0.137195|6.706863|9.536491|7.182100|8.754917|5.488599|4.889573|7.643039|0.127160|0.144700|9.011538|17.575791|5.120732|7.838049|4.177536|3.275582|2.798023|2.816789|3.329166|4.231802|5.194248|5.458117|3.138287|6.200781|2.663981|0.044232|0.046126|0.043988|0.049802|0.060828|0.072776|0.052704|0.049938|0.058414|0.087316|0.077968|0.089309|0.103931|0.118947|0.205534|0.135191|0.197145|0.142366|0.123221|0.137179|0.129904|0.107581|0.213681|0.212027|0.303265|0.500000| |1.381683|1.550697|1.636772|1.854311|2.006024|1.854968|1.636479|1.517377|2.379361|2.422149|3.980922|2.944256|4.482886|3.655263|0.104603|4.702770|7.295271|4.184443|3.343278|2.824953|2.484751|3.107965|0.058181|0.059739|2.519132|2.881429|7.253748|11.598602|8.926998|17.727635|8.919958|5.659110|4.990970|5.618640|4.067335|6.515251|3.181161|5.843842|2.571939|0.037424|0.036981|0.037266|0.043043|0.053327|0.053498|0.039742|0.040295|0.043823|0.069563|0.069550|0.062782|0.062659|0.091914|0.114244|0.151238|0.105767|0.120734|0.082386|0.071018|0.072404|0.062071|0.073347|0.063245|0.072259|0.085593|0.500000| |1.401557|1.568406|1.647412|1.853869|2.003271|1.867492|1.656267|1.542062|2.336991|2.250322|3.527363|2.465683|3.799066|2.804343|0.078923|3.481474|4.760748|2.846509|2.503851|2.171288|1.936215|2.496443|0.047253|0.049049|2.008322|2.278876|4.141947|6.625652|5.639024|8.918646|17.736274|8.919021|5.667057|4.906619|3.533862|7.538379|3.567755|6.283607|2.905307|0.038429|0.037171|0.037756|0.043314|0.052991|0.053866|0.039944|0.041520|0.044533|0.069646|0.069040|0.057933|0.058182|0.082482|0.092419|0.113180|0.073544|0.079310|0.062103|0.056758|0.055157|0.049371|0.057195|0.052036|0.059454|0.067983|0.214504|0.500000| |1.512683|1.698947|1.749728|1.959500|2.172421|2.079994|1.833536|1.731265|2.515579|2.345624|3.578468|2.426925|3.755745|2.631916|0.070836|3.297594|4.298501|2.552542|2.343978|2.004100|1.801998|2.402406|0.045545|0.047727|1.967976|2.246847|3.569483|5.555902|4.966386|5.650046|8.868698|17.738295|8.984223|5.625860|4.111392|13.253059|5.647404|8.926795|4.418827|0.041925|0.040061|0.040223|0.045364|0.054653|0.061375|0.044288|0.046849|0.050789|0.078244|0.072405|0.058885|0.061786|0.083863|0.095230|0.102968|0.066962|0.067982|0.055597|0.053304|0.050653|0.045865|0.055271|0.052187|0.059751|0.068694|0.123958|0.213237|0.500000| |1.497274|1.687265|1.714532|1.922493|2.184332|2.131421|1.857786|1.778188|2.574663|2.751118|4.499283|3.483784|5.454074|4.141645|0.098210|5.561125|9.061649|5.003529|4.281833|3.210701|2.970360|4.200263|0.077926|0.079659|3.977125|4.665879|7.338084|10.674293|7.097996|4.699634|3.948846|4.174810|5.601965|8.833478|17.607586|8.713693|4.412466|7.915764|3.531554|0.040521|0.040896|0.039448|0.044012|0.052898|0.064682|0.046843|0.046287|0.053200|0.078595|0.069007|0.068078|0.077033|0.097760|0.177370|0.131748|0.145107|0.112826|0.082706|0.080871|0.085549|0.070624|0.116847|0.104453|0.111301|0.171967|0.111969|0.090029|0.096481|0.500000| |1.707355|1.954117|1.970964|2.234435|2.621411|2.587073|2.200410|2.102295|3.153830|3.300494|5.367622|3.899812|5.956365|4.275013|0.099158|5.840878|7.465488|4.144807|3.995166|3.025379|2.710176|3.876183|0.071251|0.076548|3.560594|4.427763|5.307892|7.493797|5.948395|4.290259|3.917856|4.488592|6.488486|8.807456|17.566112|11.267437|6.502980|12.465126|4.768920|0.046293|0.046445|0.044500|0.049818|0.060575|0.080731|0.054582|0.054344|0.063928|0.100763|0.082495|0.078523|0.093494|0.119062|0.223057|0.142190|0.111204|0.095986|0.077436|0.079582|0.074988|0.065561|0.097406|0.096146|0.115010|0.160371|0.099831|0.089322|0.105983|0.300515|0.500000| |1.500658|1.684405|1.690690|1.878742|2.146871|2.136924|1.871795|1.817947|2.486763|2.542298|3.978275|2.915579|4.613073|3.232236|0.079149|4.166235|5.970796|3.483025|3.169288|2.528817|2.354168|3.340429|0.063165|0.064995|3.006655|3.424359|4.875235|7.479320|5.745956|4.271992|4.010673|4.721003|7.003077|8.903950|17.584023|12.809822|5.969081|9.424829|4.769865|0.041058|0.040873|0.039324|0.043264|0.051139|0.065663|0.047476|0.047775|0.054939|0.077738|0.066425|0.062529|0.071522|0.087531|0.135697|0.107672|0.098267|0.083842|0.066120|0.065790|0.066852|0.057721|0.085946|0.082060|0.087530|0.117485|0.098614|0.091336|0.112146|0.303256|0.302691|0.500000| |1.671171|1.866223|1.818831|1.980876|2.292527|2.394231|2.124010|2.132799|2.530869|2.391480|3.436218|2.346420|3.792296|2.366925|0.059913|2.801074|3.591751|2.245824|2.205802|1.877674|1.741772|2.473617|0.047332|0.049957|2.090679|2.349711|2.722686|4.314616|3.197989|2.862812|3.065333|3.882553|4.845455|4.161597|4.537842|13.081444|8.949939|10.925799|17.582416|0.046841|0.045182|0.043132|0.046068|0.052500|0.075485|0.054352|0.057328|0.066038|0.081989|0.066674|0.058500|0.067933|0.075483|0.089938|0.077424|0.061201|0.056801|0.049641|0.051052|0.048121|0.044237|0.057338|0.058539|0.064717|0.074349|0.068511|0.075183|0.109299|0.102240|0.134124|0.146536|0.500000| 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