Version2.1 2021-01-13T16:57:51Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 25-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(c(c1)N2CC[NH+](CC2)[C@@H](c3ccc(cc3)Cl)c4nnnn4Cc5cccs5)F C01351504 RHF 6-31G(d) (6D,7F) c1ccc(c(c1)N2CC[NH+](CC2)[C@@H](c3ccc(cc3)Cl)c4nnnn4Cc5cccs5)F C01[X(C23H23Cl1F1N6S1)] 159 C1 534 Clc1ccc(cc1)[C@@H](c1nnnn1Cc1cccs1)[NH+]1CCN(CC1)c1ccccc1F Clc1ccc(cc1)[C@@H](c1nnnn1Cc1cccs1)[NH+]1CCN(CC1)c1ccccc1F Fc1ccccc1N2CC[NH+](CC2)[C@@H](c3ccc(Cl)cc3)c4nnnn4Cc5sccc5 InChIKey=FNMJDOCQENNOBA-QFIPXVFZSA-O InChI=1S/C23H22ClFN6S/c24-18-9-7-17(8-10-18)22(23-26-27-28-31(23)16-19-4-3-15-32-19)30-13-11-29(12-14-30)21-6-2-1-5-20(21)25/h1-10,15,22H,11-14,16H2/p+1/t22-/m0/s1 InChI=1/C23H22ClFN6S/c24-18-9-7-17(8-10-18)22(23-26-27-28-31(23)16-19-4-3-15-32-19)30-13-11-29(12-14-30)21-6-2-1-5-20(21)25/h1-10,15,22H,11-14,16H2/p+1/t22-/m0/s1/fC23H23ClFN6S/h30H/q+1 c1ccc(c(c1)N2CC[NH+](CC2)[C@@H](c3ccc(cc3)Cl)c4nnnn4Cc5cccs5)F C01[X(C23H23Cl1F1N6S1)] 159 C01 534 Clc1ccc(cc1)[C@@H](c1nnnn1Cc1cccs1)[NH+]1CCN(CC1)c1ccccc1F Cl[C]1[CH][CH][C]([CH][CH]1)[C@@H]([C]1[N][N][N][N]1CC1=[CH][CH]=[CH]S1)[NH]1CC[N@](CC1)[C]1[CH][CH][CH][CH][C]1F F[C]1[CH][CH][CH][CH][C]1N2CC[NH](CC2)[C@@H]([C]3[CH][CH][C](Cl)[CH][CH]3)[C]4[N][N][N]N4Cc5sccc5 InChIKey=GPKZSMQLRLBNKU-QFIPXVFZSA-N InChI=1S/C23H23ClFN6S/c24-18-9-7-17(8-10-18)22(23-26-27-28-31(23)16-19-4-3-15-32-19)30-13-11-29(12-14-30)21-6-2-1-5-20(21)25/h1-10,15,22,30H,11-14,16H2/t22-/m0/s1 InChI=1/C23H23ClFN6S/c24-18-9-7-17(8-10-18)22(23-26-27-28-31(23)16-19-4-3-15-32-19)30-13-11-29(12-14-30)21-6-2-1-5-20(21)25/h1-10,15,22,30H,11-14,16H2/t22-/m0/s1 3517.8957097808 -2167.1988462 1-A 18267.4238 122 412 534 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.92956 -92.08283 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0.0927 0.8439 0.5492 0.8180 0.1702 0.1778 0.7428 0.7188 0.4588 0.7140 0.6012 0.8495 0.6639 0.8538 0.5325 0.2281 0.4446 0.3360 0.5185 0.3550 0.2116 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 6 6 6 6 6 6 7 6 6 7 1 6 6 6 1 6 6 6 6 6 6 17 6 7 7 7 7 6 6 6 6 6 16 9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 12.00000 14.00307 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 18.99840 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 13031.7167 24616.5692 30819.1882 0.99994 -0.01065 0.00241 0.01061 0.99982 0.01547 -0.00258 -0.01544 0.99988 1 0.00665 0.00352 0.00281 0.13849 0.07331 0.05856 21.19 29.01 37.45 44.28 45.71 74.49 79.24 92.04 103.97 128.58 139.59 150.68 207.07 222.92 267.87 308.07 321.95 329.25 380.66 400.74 421.52 435.39 449.15 474.56 500.03 542.94 557.09 582.17 607.65 649.07 663.52 707.49 720.17 738.29 745.73 759.68 798.51 829.41 877.95 887.01 901.81 929.62 953.68 992.24 1016.17 1033.41 1078.73 1138.64 1147.00 1153.55 1164.42 1182.36 1184.74 1192.64 1197.95 1248.11 1268.43 1296.69 1304.19 1330.82 1342.74 1362.34 1375.31 1390.33 1419.93 1422.29 1465.32 1492.33 1508.66 1516.31 1533.40 1567.36 1583.03 1602.06 1613.65 1617.47 1622.92 1624.77 1638.20 1640.69 1654.55 1670.97 1693.04 1732.41 1740.24 1746.43 1750.87 1753.79 1776.71 1803.66 1832.81 1836.37 1852.64 1876.88 1882.82 1891.79 1904.10 1909.76 1919.61 1940.27 1988.36 1999.85 2021.17 2032.30 2048.76 2075.16 2084.39 2126.51 2132.72 2143.53 2167.01 2170.77 2200.46 2207.72 2235.53 2258.46 2272.72 2282.69 2310.82 2322.80 2338.92 2340.29 2348.39 2358.57 2369.91 2373.79 2390.80 2405.85 2409.87 2411.92 2503.54 2539.77 2541.80 2572.23 2588.91 2612.57 4580.27 4595.22 4706.61 4728.17 4733.57 4746.33 4750.11 4770.94 4791.44 4844.54 4847.10 4849.69 4859.57 4862.54 4876.24 4877.80 4893.53 4905.92 4907.60 4910.22 4912.85 4961.57 5233.57 0.473265 0.498634 0.499578 0.412826 -2166.725582 -2166.700212 -2166.699268 -2166.786020 2.909676D-04 MUNgauss RevisionA2.0 retrievium 13-Jan-2021 DUDE c1ccc(c(c1)N2CC[NH+](CC2)[C@@H](c3ccc(cc3)Cl)c4nnnn4Cc5cccs5)F C01351504 RHF 6-31G(d) (6D,10F) C1 469.137748 |X|Y|Z| 71.189603 105.958241 44.410386 69.451019 30 6 7 16 23 6 1 |36.858105| |13.746810|36.858105| |7.924173|13.747689|36.858105| |6.946448|8.026053|13.847866|36.858105| |7.902611|6.837158|7.861761|13.746726|36.858105| |13.751298|7.942625|6.863381|8.025186|13.735589|36.858105| |5.128958|4.517454|5.094765|7.717307|13.314038|7.813573|53.358707| |4.106801|3.800894|4.346431|6.137099|7.833353|5.514192|17.881472|36.858105| |3.234687|2.965200|3.252082|4.188496|5.109871|4.152738|10.696417|12.541723|36.858105| |2.898425|2.707590|3.000357|3.826728|4.463310|3.625506|9.048912|7.668077|12.617559|53.358707| |2.789252|2.683506|3.053793|3.912260|4.295451|3.403712|8.204109|7.216063|9.330466|25.602987|0.500000| |3.229308|2.962091|3.249985|4.185202|5.098690|4.142622|10.647416|6.632377|7.744449|17.239418|0.257137|36.858105| |4.105813|3.801304|4.349047|6.144701|7.838657|5.512074|17.896023|7.944508|6.665544|10.471814|0.199657|12.522634|36.858105| |2.392836|2.238580|2.422454|2.933038|3.326127|2.883254|6.026974|4.959430|7.613814|17.052205|0.258668|7.460377|4.919982|36.858105| |2.398910|2.204797|2.338482|2.797503|3.244965|2.903140|5.822026|4.747768|7.478827|12.392446|0.183872|6.486749|4.471331|17.651648|0.500000| |2.174890|2.048603|2.204239|2.613543|2.905621|2.567135|5.017157|3.793778|4.947598|10.183354|0.183169|6.551928|4.371027|12.545359|0.248101|36.858105| |2.088958|1.941837|2.045657|2.380895|2.678968|2.450527|4.505344|3.270907|4.109533|7.420889|0.130200|5.515557|3.842573|7.590559|0.205722|13.716991|36.858105| |1.893174|1.775872|1.863252|2.128785|2.347648|2.174378|3.798983|2.708345|3.207302|5.525212|0.103001|4.295068|3.255399|5.022998|0.133913|7.902928|13.760300|36.858105| |1.793335|1.710491|1.814782|2.064636|2.222653|2.034662|3.543153|2.540206|2.927728|5.082592|0.100031|3.900264|3.081097|4.440849|0.111556|6.873699|7.974571|13.766850|36.858105| |1.844108|1.779715|1.920118|2.207329|2.342745|2.096367|3.768116|2.756726|3.180947|5.736287|0.118536|4.206966|3.326434|5.000785|0.116698|7.910160|6.875522|7.909621|13.738041|36.858105| |2.022211|1.945303|2.119464|2.489301|2.668803|2.338689|4.448391|3.352803|4.049559|7.936782|0.166270|5.320232|3.953284|7.498943|0.155575|13.681801|7.941275|6.862784|7.963311|13.782650|36.858105| |1.592170|1.528915|1.609407|1.793083|1.902632|1.770448|2.934370|2.086314|2.322454|3.823224|0.076371|2.966259|2.501303|3.165194|0.082158|4.233030|4.785097|7.064995|11.018629|7.060714|4.783707|448.794386| |2.163905|2.066875|2.257019|2.691319|2.931246|2.540597|5.047669|4.425565|6.301095|10.752341|0.220294|5.046609|3.928658|12.660354|0.248051|7.612178|5.203528|3.963923|3.768156|4.426979|6.400718|22.703691|36.858105| |2.190184|2.135060|2.381075|2.854490|3.006167|2.546019|5.082652|4.613082|5.949552|9.618773|0.240499|4.658522|3.940151|7.750339|0.163423|5.647276|4.067089|3.319464|3.303710|3.990474|5.532161|20.684206|14.747235|53.358707| |1.936613|1.901988|2.102338|2.449659|2.536137|2.201502|4.098165|3.644646|4.412185|6.479731|0.150040|3.515469|3.098308|5.356560|0.126347|4.360372|3.387752|2.883090|2.903889|3.443968|4.414921|18.860810|9.059493|19.388223|53.358707| |1.809090|1.757446|1.909256|2.198302|2.311074|2.051890|3.718462|3.229661|4.008759|5.821442|0.125279|3.243758|2.795771|5.275899|0.131637|4.387420|3.518947|2.985255|2.954384|3.409848|4.278131|19.187300|8.919214|12.202272|20.768589|53.358707| |1.910636|1.828039|1.970250|2.289810|2.468862|2.200028|4.078062|3.502667|4.651935|7.033147|0.142061|3.792954|3.097097|7.459262|0.187902|5.799935|4.518520|3.619575|3.446196|3.916239|5.137311|21.484631|14.334534|12.185740|12.416920|19.464861|53.358707| |1.759282|1.668766|1.767737|2.020946|2.195747|2.009695|3.560101|2.948087|3.809708|5.590500|0.107988|3.278087|2.685841|5.829043|0.168858|5.124045|4.523731|3.696594|3.398650|3.626660|4.399874|21.589147|7.431717|7.253950|7.470703|10.688710|17.695408|36.858105| |1.845643|1.723172|1.800050|2.054417|2.279116|2.123371|3.705366|3.057474|4.026555|5.537934|0.101702|3.315400|2.716828|5.558779|0.187731|4.642115|4.437063|3.540652|3.096205|3.157742|3.747613|19.951322|5.982708|6.006710|5.833395|7.329079|10.470252|12.695421|36.858105| |1.811899|1.675089|1.728105|1.957337|2.192114|2.081257|3.534068|2.804523|3.596626|5.008075|0.090290|3.198831|2.608619|4.870990|0.170503|4.430556|4.711298|3.806393|3.179693|3.083864|3.513495|20.706540|4.624763|4.839946|4.583700|5.410424|7.159475|7.488807|14.125773|36.858105| |1.852157|1.692963|1.722294|1.934536|2.187948|2.122805|3.476935|2.742671|3.433127|4.505539|0.080825|2.959298|2.489212|4.015088|0.140763|3.571736|3.818635|3.174562|2.674471|2.581066|2.895911|17.968166|3.751889|4.146103|3.926802|4.462772|5.513189|5.047597|8.196202|13.261929|36.858105| |1.922068|1.758078|1.789770|2.010982|2.272765|2.202796|3.597579|2.927264|3.665276|4.532875|0.081983|2.897369|2.499178|3.879639|0.133821|3.269901|3.311534|2.755576|2.392833|2.372930|2.702615|16.161038|3.790776|4.292389|4.116866|4.654173|5.581432|4.824282|7.697246|8.248845|14.172777|36.858105| |1.930340|1.795724|1.865295|2.119687|2.358282|2.216516|3.784511|3.231013|4.188696|5.146870|0.095202|3.071720|2.640198|4.542655|0.151049|3.605911|3.399335|2.788446|2.491869|2.565289|3.017949|16.560112|4.966054|5.526947|5.473011|6.494721|7.903582|6.711749|10.965421|7.454249|7.447870|11.034598|388.023441| |4.671351|5.303785|8.153960|14.262749|8.152473|5.308215|9.305343|6.257191|4.339156|5.629617|0.124910|4.340296|6.271644|3.121356|0.080118|2.778169|2.457996|2.197761|2.170844|2.378224|2.714511|15.033321|2.934380|4.396477|3.734833|3.265484|3.350656|2.124699|2.112300|1.982077|1.924064|1.997404|15.334317|97.533100| |17.737943|8.910746|5.640674|4.991647|5.635315|8.923842|5.671910|3.463307|2.863958|3.512687|0.068482|2.859160|3.461924|2.188737|0.061654|2.007727|1.957331|1.787281|1.685408|1.714874|1.862353|12.125121|1.982840|2.704566|2.417426|2.283226|2.414735|1.655387|1.748944|1.733331|1.789746|1.853669|13.037592|8.319563|0.500000| |8.910565|17.734550|8.940562|5.690119|4.934697|5.647332|4.900481|3.145900|2.546240|3.198733|0.064948|2.544024|3.146048|1.987872|0.054493|1.838344|1.753687|1.620475|1.567588|1.625193|1.758390|11.379802|1.854159|2.606509|2.353536|2.185655|2.259815|1.526772|1.573629|1.533929|1.553552|1.611476|11.662516|9.606123|0.214609|0.500000| |5.621570|8.833992|17.745335|8.983467|5.630665|4.949676|5.650983|3.740854|2.895622|3.704005|0.078362|2.894860|3.743305|2.236163|0.059498|2.054964|1.899691|1.747000|1.721317|1.832029|2.008392|12.361754|2.120868|3.082808|2.756776|2.492202|2.539983|1.671865|1.685125|1.611455|1.597429|1.658639|12.379424|16.732449|0.123604|0.213023|0.500000| |8.887370|5.640795|4.948164|5.695691|8.982479|17.731193|9.869920|5.250339|4.267918|5.019539|0.093013|4.254477|5.245889|2.990680|0.085832|2.656792|2.587435|2.277880|2.092888|2.125315|2.368669|14.564611|2.584164|3.440183|2.974649|2.813883|3.061748|2.083817|2.241689|2.228014|2.304853|2.383822|16.670219|9.627143|0.214223|0.123966|0.107490|0.500000| |3.747814|3.685502|4.449961|6.329053|6.724630|4.689977|12.196959|17.487068|8.865512|9.347658|0.211001|5.750945|7.024622|4.602400|0.116572|3.617185|3.044880|2.570943|2.476980|2.751191|3.352451|16.441380|4.405296|6.774421|5.343760|4.538104|4.735721|2.855948|2.859894|2.584370|2.485653|2.645516|21.275421|17.055763|0.087594|0.085768|0.110550|0.118850|0.500000| |4.329779|3.941217|4.351753|5.779434|7.311718|5.720819|12.492212|17.611640|9.007263|7.614157|0.145930|4.968599|5.721498|4.132526|0.115057|3.229585|2.872537|2.413132|2.254397|2.410068|2.864711|15.140454|3.833297|5.387316|4.497943|4.067283|4.346820|2.755638|2.920494|2.687385|2.702436|2.957583|22.947559|12.295967|0.102274|0.090887|0.103309|0.152592|0.302096|0.500000| |2.851758|2.669131|2.928327|3.643364|4.179001|3.501721|7.699033|8.833127|17.677130|12.304093|0.224097|5.629404|4.976257|7.174799|0.195334|4.598055|3.772014|2.984785|2.762575|3.034709|3.870157|17.743387|7.272990|9.686299|7.263167|6.520241|7.415859|4.250392|4.438756|3.743312|3.538256|3.916631|34.557180|8.690554|0.071050|0.064788|0.074073|0.098831|0.215629|0.213469|0.500000| |3.257267|2.887610|3.050271|3.808040|4.831636|4.230548|9.681774|8.842352|17.632538|12.398322|0.182027|7.127886|5.903249|6.980445|0.225512|4.758012|4.250550|3.275864|2.889924|3.027106|3.742828|18.498511|5.416965|6.478664|5.122078|4.910511|5.850764|3.771914|4.253472|3.956596|3.924347|4.193152|31.962819|8.413318|0.081774|0.069211|0.074751|0.128130|0.173516|0.216072|0.299233|0.500000| |2.850127|2.670307|2.932480|3.649726|4.178950|3.497376|7.687169|4.965593|5.625656|12.319029|0.221956|17.688066|8.840448|6.926353|0.159038|7.522703|6.225236|5.034184|4.729334|5.212851|6.549143|27.862840|4.819176|6.076914|4.654305|4.311447|5.015754|3.212135|3.145001|3.061479|2.769150|2.656005|20.022136|8.721105|0.070980|0.064818|0.074213|0.098574|0.129232|0.109164|0.126391|0.144935|0.500000| |3.243307|2.878363|3.041742|3.794804|4.802599|4.204751|9.583460|5.842434|7.084284|12.385251|0.181037|17.631754|8.817036|6.865961|0.191661|6.127153|5.866532|4.459968|3.809166|3.866643|4.674093|23.494657|4.563444|5.473390|4.305928|4.116620|4.899984|3.259582|3.445077|3.449875|3.261730|3.142865|22.700559|8.394903|0.081442|0.069024|0.074597|0.127159|0.133545|0.131220|0.144579|0.216234|0.300157|0.500000| |4.328747|3.943730|4.359154|5.795197|7.322466|5.717144|12.498778|5.721017|4.986877|7.633670|0.145384|9.006397|17.611029|4.091293|0.106431|3.881340|3.606424|3.171129|2.998338|3.144461|3.561672|20.028666|3.300752|4.441887|3.619478|3.327327|3.672762|2.408189|2.450523|2.405772|2.317743|2.298268|16.838310|12.344830|0.102204|0.090929|0.103492|0.152300|0.142973|0.127953|0.109370|0.132406|0.213679|0.216101|0.500000| |3.748892|3.688065|4.456562|6.345814|6.735270|4.691243|12.214431|7.031792|5.770855|9.371665|0.209976|8.867091|17.476271|4.566943|0.110775|4.148231|3.528070|3.065748|3.016782|3.370610|4.007410|19.848045|3.884313|5.600897|4.396169|3.859693|4.160510|2.600066|2.557593|2.418044|2.279755|2.297511|17.621979|17.145797|0.087596|0.085814|0.110719|0.118822|0.206008|0.143061|0.129326|0.134462|0.216432|0.173368|0.302209|0.500000| |2.152106|1.970259|2.047851|2.375864|2.726076|2.542422|4.592500|3.324254|4.242247|7.123933|0.120020|5.320306|3.762045|7.045593|0.227810|8.888234|17.709154|8.964426|5.671334|4.952744|5.638586|31.718792|4.818098|5.099596|4.305643|4.528017|5.843098|4.480334|4.818200|5.493065|4.547005|3.802076|26.366802|5.408386|0.056434|0.049377|0.052394|0.076105|0.083637|0.082534|0.107179|0.129284|0.152642|0.172399|0.098723|0.093052|0.500000| |1.813145|1.691856|1.753759|1.979047|2.187207|2.065559|3.474463|2.452284|2.853566|4.687686|0.087159|3.699550|2.914601|4.097711|0.114522|5.629032|8.902539|17.754193|8.924369|5.637693|4.949596|53.918979|3.328733|3.855217|3.420089|3.564058|4.249609|3.281315|3.252814|3.631650|3.116142|2.661136|18.523399|4.533810|0.048028|0.043125|0.045649|0.060600|0.064235|0.061699|0.073871|0.082553|0.116128|0.110155|0.080508|0.075588|0.215895|0.500000| |1.738211|1.697297|1.839392|2.093451|2.179498|1.950309|3.431708|2.515755|2.819957|4.917423|0.104904|3.599291|3.004799|4.075119|0.096424|5.632080|4.956284|5.639477|8.917255|17.755022|8.917673|53.917882|3.836015|4.962390|4.422219|4.314977|4.726801|3.195712|2.764722|2.674981|2.276116|2.120212|16.368932|5.122401|0.044917|0.043318|0.049267|0.054376|0.070971|0.061564|0.075603|0.073841|0.121155|0.091063|0.079482|0.086708|0.107571|0.124181|0.500000| |2.024947|1.974501|2.183109|2.575094|2.702942|2.329669|4.478512|3.476317|4.119234|7.975249|0.185865|5.005100|3.944351|6.902393|0.140135|8.858259|5.635693|4.946758|5.668480|8.980115|17.714763|31.732619|6.934825|9.223846|7.166384|6.506630|7.330580|4.274769|3.548000|3.207216|2.684948|2.575558|21.039393|6.486286|0.051445|0.049570|0.057972|0.064559|0.100149|0.081988|0.112393|0.101446|0.163541|0.117405|0.096445|0.116167|0.123682|0.107469|0.216515|0.500000| |1.701103|1.614354|1.707513|1.946097|2.111053|1.937914|3.411016|2.743468|3.476818|5.347733|0.103334|3.263969|2.637557|5.671482|0.159768|5.703485|5.215731|4.349997|3.991552|4.192975|4.955951|24.870489|6.498588|6.482018|6.443934|8.443903|12.444898|17.615218|8.964490|7.136715|4.675529|4.177310|36.225928|4.601439|0.044555|0.041110|0.044925|0.055860|0.073885|0.070490|0.103191|0.096132|0.091622|0.090436|0.066560|0.070995|0.138238|0.105841|0.100761|0.127684|0.500000| |1.628245|1.555567|1.646328|1.861550|1.996386|1.836880|3.171188|2.628122|3.265583|4.661622|0.092461|2.797852|2.370596|4.470247|0.126856|4.042010|3.636599|3.126814|2.956712|3.159025|3.689407|19.527378|5.728100|6.327452|7.138401|10.753847|12.785867|17.638690|8.855193|5.923061|4.389813|4.347229|43.215524|4.411079|0.042706|0.039794|0.043562|0.052594|0.071728|0.069294|0.102134|0.089116|0.076375|0.076833|0.059494|0.064480|0.099735|0.078641|0.079827|0.102370|0.302083|0.500000| |1.732209|1.606389|1.657263|1.870213|2.083216|1.979705|3.339353|2.589771|3.250376|4.725532|0.085970|3.119573|2.524450|4.625235|0.154159|4.630831|5.272825|4.394091|3.573637|3.347948|3.696261|23.218899|4.272604|4.521427|4.268432|4.982489|6.491427|6.691710|8.913554|17.725416|8.585025|5.736783|37.674687|4.270698|0.046105|0.040977|0.043059|0.058719|0.066849|0.068145|0.091804|0.097881|0.085332|0.093432|0.065511|0.065268|0.170170|0.118532|0.079815|0.091110|0.208480|0.149474|0.500000| |1.800367|1.637462|1.649831|1.836577|2.079712|2.049432|3.257813|2.506315|3.042275|4.024167|0.072471|2.748031|2.339136|3.474199|0.118530|3.217685|3.562443|3.059027|2.557317|2.416806|2.645655|17.537000|3.178659|3.601861|3.403520|3.791487|4.557047|4.033080|5.714718|8.579074|17.757288|8.915580|37.675708|4.071861|0.048771|0.041921|0.042476|0.062270|0.063016|0.068839|0.085011|0.096945|0.071984|0.085231|0.061554|0.059271|0.119196|0.085949|0.059452|0.067657|0.108536|0.099882|0.201389|0.500000| |1.931242|1.758170|1.772068|1.971844|2.229768|2.196315|3.462909|2.803935|3.383149|4.075833|0.074368|2.660479|2.359965|3.321637|0.111151|2.828323|2.864191|2.433005|2.135675|2.117251|2.384686|14.668274|3.240465|3.809329|3.668286|4.044896|4.656860|3.836050|5.413675|5.689861|8.770333|17.786476|55.415405|4.357279|0.052163|0.044936|0.045552|0.066345|0.070155|0.080635|0.099621|0.107947|0.067369|0.080256|0.060743|0.060198|0.090512|0.065871|0.053098|0.063648|0.094126|0.099124|0.122561|0.203611|0.500000| 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