Version2.1 2020-12-28T05:34:07Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c2c(c(cnc2n(n1)C)C(=O)N3C[C@@H](C4(C3)CC[NH2+]CC4)C(=O)N[C@H](C)C(C)(C)C)Cl C39684705 RHF 6-31G(d) (6D,7F) Cc1c2c(c(cnc2n(n1)C)C(=O)N3C[C@@H](C4(C3)CC[NH2+]CC4)C(=O)N[C@H](C)C(C)(C)C)Cl C01[X(C24H36Cl1N6O2)] 201 C1 571 O=C([C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1cnc2c(c1Cl)c(C)nn2C)N[C@@H](C(C)(C)C)C O=C([C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1cnc2c(c1Cl)c(C)nn2C)N[C@@H](C(C)(C)C)C C[C@@H](NC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3cnc4n(C)nc(C)c4c3Cl)C(C)(C)C InChIKey=CBQMFZHPFVEIQE-NVXWUHKLSA-O InChI=1S/C24H35ClN6O2/c1-14-18-19(25)16(11-27-20(18)30(6)29-14)22(33)31-12-17(21(32)28-15(2)23(3,4)5)24(13-31)7-9-26-10-8-24/h11,15,17,26H,7-10,12-13H2,1-6H3,(H,28,32)/p+1/t15-,17-/m1/s1 InChI=1/C24H35ClN6O2/c1-14-18-19(25)16(11-27-20(18)30(6)29-14)22(33)31-12-17(21(32)28-15(2)23(3,4)5)24(13-31)7-9-26-10-8-24/h11,15,17,26H,7-10,12-13H2,1-6H3,(H,28,32)/p+1/t15-,17-/m1/s1/fC24H36ClN6O2/h26,28H/q+1 Cc1c2c(c(cnc2n(n1)C)C(=O)N3C[C@@H](C4(C3)CC[NH2+]CC4)C(=O)N[C@H](C)C(C)(C)C)Cl C01[X(C24H36Cl1N6O2)] 201 C01 571 O=C([C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1cnc2c(c1Cl)c(C)nn2C)N[C@@H](C(C)(C)C)C O=[C]([NH][C@@H](C(C)(C)C)C)[C@H]1CN(CC21CC[NH2]CC2)C(=O)[C]1[CH][N][C]2[C]([C]1[Cl])[C](=[N][N]2C)C C[C@@H](NC(=O)[C@H]1CN(CC12CC[NH2]CC2)C(=O)[C]3[CH][N][C]4[C]([C]3Cl)C(=NN4C)C)C(C)(C)C InChIKey=XFKICENTFWFBBB-NVXWUHKLSA-N InChI=1S/C24H36ClN6O2/c1-14-18-19(25)16(11-27-20(18)30(6)29-14)22(33)31-12-17(21(32)28-15(2)23(3,4)5)24(13-31)7-9-26-10-8-24/h11,15,17H,7-10,12-13,26H2,1-6H3,(H,28,32)/t15-,17-/m1/s1 InChI=1/C24H36ClN6O2/c1-14-18-19(25)16(11-27-20(18)30(6)29-14)22(33)31-12-17(21(32)28-15(2)23(3,4)5)24(13-31)7-9-26-10-8-24/h11,15,17H,7-10,12-13,26H2,1-6H3,(H,28,32)/t15-,17-/m1/s1/f/h28H 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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 56 57 58 59 60 61 62 63 64 65 66 67 68 69 6 6 6 6 6 6 7 6 7 7 6 6 8 7 6 6 1 6 6 6 6 7 1 1 6 6 6 8 7 6 1 6 6 6 6 6 17 1 1 1 1 1 1 1 1 1 1 1 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 14.00307 14.00307 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 12063.6904 25023.7510 32279.6247 0.99998 -0.00670 -0.00022 0.00670 0.99998 0.00072 0.00022 -0.00072 1.00000 1 0.00718 0.00346 0.00268 0.14960 0.07212 0.05591 13.33 25.18 29.03 44.34 51.13 58.28 67.10 86.22 108.18 111.07 136.64 149.56 179.61 203.24 236.36 249.02 262.57 274.41 282.16 298.23 323.28 329.14 336.37 368.76 380.60 386.31 394.23 412.43 429.54 437.90 453.26 465.26 469.66 475.18 499.53 521.36 549.89 560.16 567.96 588.69 596.24 604.70 667.29 677.33 717.37 721.53 755.80 777.55 812.37 825.74 844.25 856.31 896.93 912.86 933.50 963.94 998.37 1043.05 1050.50 1076.80 1081.17 1103.47 1172.05 1217.17 1218.99 1238.72 1241.87 1260.42 1286.48 1332.80 1335.19 1345.37 1374.61 1379.35 1401.27 1439.76 1459.81 1465.68 1507.77 1512.01 1514.07 1540.70 1566.09 1581.69 1583.70 1590.27 1596.45 1605.45 1615.62 1628.92 1631.00 1636.61 1676.28 1686.29 1695.08 1731.54 1746.71 1765.46 1786.91 1805.20 1817.75 1833.55 1851.69 1890.22 1891.98 1900.56 1912.06 1924.07 1937.54 1950.17 1965.09 1988.01 2020.30 2023.12 2063.63 2074.29 2082.34 2088.75 2113.36 2122.14 2137.15 2153.62 2160.57 2167.44 2176.91 2198.38 2218.41 2224.08 2236.02 2242.93 2243.75 2253.84 2257.48 2261.69 2266.22 2278.16 2289.53 2296.25 2321.36 2329.43 2338.46 2344.16 2344.92 2347.24 2348.06 2352.14 2353.33 2364.34 2365.00 2370.40 2372.38 2385.47 2386.48 2388.67 2400.79 2408.88 2419.79 2424.30 2475.06 2516.46 2557.53 2578.52 2628.48 2767.12 2776.18 4602.53 4612.20 4613.19 4620.37 4622.96 4628.16 4633.06 4638.38 4670.27 4685.91 4691.04 4697.72 4698.39 4703.10 4709.71 4712.29 4714.96 4717.70 4720.19 4723.84 4726.78 4732.32 4758.39 4769.36 4773.53 4775.51 4782.93 4793.06 4800.62 4821.08 4829.55 4849.45 4864.38 5275.98 5368.39 5587.17 0.641292 0.672595 0.673539 0.575352 -1864.882040 -1864.850737 -1864.849793 -1864.947980 3.293208D-04 MUNgauss RevisionA2.0 retrievium 28-Dec-2020 DUDE Cc1c2c(c(cnc2n(n1)C)C(=O)N3C[C@@H](C4(C3)CC[NH2+]CC4)C(=O)N[C@H](C)C(C)(C)C)Cl C39684705 RHF 6-31G(d) (6D,10F) C1 475.258827 |X|Y|Z| 74.613239 111.858537 38.935346 68.750579 20 6 7 15 5 |36.858105| |12.722128|36.858105| |7.154103|13.200862|36.858105| |5.516833|7.192693|13.745776|36.858105| |3.969594|5.001439|8.003533|13.728139|36.858105| |3.551972|4.665193|7.044025|7.941208|13.490257|36.858105| |3.818345|5.372329|7.805372|6.732833|7.880009|14.624433|53.358707| |5.120539|8.483819|13.558540|8.001377|7.102161|8.603579|19.506190|36.858105| |5.326142|8.874111|8.656886|5.459398|4.761945|5.453840|10.891186|14.279859|53.358707| |7.850783|14.797140|8.554024|5.285138|4.218278|4.335526|7.412434|8.612065|19.200644|53.358707| |3.937766|5.430142|5.260067|3.931716|3.705993|4.407436|8.538940|7.597098|17.941853|10.699186|36.858105| |3.199340|3.691903|5.038586|7.506635|12.753420|7.627639|6.945275|4.569798|4.722223|4.342333|2.886796|36.858105| |3.072723|3.396114|4.387351|6.288673|8.047149|5.484687|5.590787|3.865820|4.179314|3.966767|2.581740|15.872128|73.516695| |2.710586|3.095404|4.009716|5.257028|7.829425|6.462959|6.142574|3.879288|4.161364|3.780746|2.647597|13.832997|15.048617|53.358707| |2.674122|3.063885|3.888582|4.790053|6.450060|5.920478|6.057452|3.846769|4.198800|3.798687|2.699727|7.619701|9.595789|17.638751|36.858105| |2.267156|2.499374|3.002067|3.571119|4.346958|4.016807|4.455049|2.937894|3.370626|3.127259|2.223696|5.294077|7.783348|10.895574|12.317858|36.858105| |2.058970|2.277854|2.705444|3.127540|3.814255|3.726780|4.203725|2.720843|3.160967|2.902848|2.129512|4.530049|6.816839|9.088537|8.865945|17.543131|0.500000| |2.215215|2.390410|2.852758|3.490796|4.181287|3.645532|4.022855|2.710109|3.120006|2.946866|2.043843|5.665831|9.175019|11.023004|7.797098|12.252865|0.248435|36.858105| |2.310066|2.545572|3.122857|3.905115|5.050621|4.394495|4.609897|3.008286|3.385223|3.141565|2.208944|7.856834|12.542504|17.895336|7.996209|8.148550|0.202349|12.372932|36.858105| |2.406223|2.526444|2.978127|3.724101|4.162580|3.417107|3.848235|2.705769|3.134305|3.041349|2.017908|5.500665|9.551184|8.663612|6.096871|7.359888|0.152169|12.330723|7.489387|36.858105| |2.244217|2.306764|2.661920|3.286493|3.562724|2.945173|3.379036|2.404563|2.828344|2.777702|1.831739|4.678984|9.197957|6.675043|4.301944|4.832774|0.113258|7.473218|6.097454|12.523135|36.858105| |1.907218|1.960283|2.222366|2.640209|2.873202|2.498529|2.922619|2.060539|2.465493|2.409752|1.629165|3.613336|6.886677|5.387320|3.616756|4.333600|0.108425|6.474767|5.138117|7.706756|12.602518|53.358707| |1.818321|1.852824|2.078273|2.445549|2.624507|2.294779|2.713342|1.925082|2.322137|2.281872|1.539691|3.245081|6.347387|4.669966|3.095726|3.552813|0.090995|4.927528|4.314225|5.682980|9.143439|25.687650|0.500000| |1.846815|1.886106|2.114845|2.478362|2.656879|2.333082|2.765622|1.962651|2.368907|2.325917|1.570959|3.228503|5.984583|4.824792|3.410940|4.180024|0.104284|5.779258|4.365031|7.069072|9.204078|25.675108|0.328321|0.500000| |1.800602|1.885135|2.155636|2.536323|2.855127|2.561168|2.973953|2.048719|2.444022|2.349815|1.633230|3.623342|6.690862|5.758992|3.843554|4.842074|0.129274|7.479850|6.030068|6.502213|7.562620|17.231794|0.255001|0.255743|36.858105| |1.885622|2.004904|2.320989|2.731982|3.151051|2.865344|3.290388|2.232714|2.640747|2.509516|1.765585|3.988471|6.857742|6.939391|4.989314|7.412277|0.200022|12.404289|7.423441|7.617721|6.474266|10.432282|0.157414|0.194505|12.481001|36.858105| |2.207938|2.390097|2.778825|3.195580|3.617828|3.363928|3.944670|2.694965|3.179173|3.002101|2.110003|4.038107|6.178943|7.019266|7.470138|12.476825|0.246305|7.271365|5.053257|6.242249|4.222639|5.289892|0.089551|0.111456|4.062551|5.751536|36.858105| |2.389756|2.544510|2.926518|3.379964|3.655041|3.280547|3.901626|2.754579|3.265995|3.146642|2.136089|3.975736|6.176280|6.389802|6.376024|8.019230|0.163325|6.129777|4.442216|6.525726|4.359438|5.219224|0.089078|0.112137|3.723405|4.820741|15.801394|73.516695| |1.945229|2.098946|2.388696|2.656731|2.972188|2.879423|3.479347|2.368087|2.856855|2.689873|1.941218|3.230803|5.057544|5.457613|5.358326|7.840525|0.213641|5.326588|4.045722|4.508612|3.407207|4.542178|0.078862|0.097096|3.601673|4.977565|14.200347|15.050026|53.358707| |1.824748|1.940643|2.151837|2.336950|2.524455|2.455282|3.060370|2.127998|2.627060|2.505459|1.802008|2.660805|4.253918|4.247507|3.939174|4.969621|0.134303|3.892797|3.113080|3.607001|2.880368|3.881787|0.069083|0.084826|2.970995|3.779685|7.673528|11.885922|17.679814|36.858105| |1.925912|2.026312|2.232696|2.431935|2.576065|2.456057|3.068854|2.170882|2.684111|2.591701|1.822198|2.698903|4.337327|4.212739|3.881114|4.741633|0.120436|3.852746|3.050880|3.802821|3.010224|3.977953|0.070730|0.088055|2.931956|3.639913|7.599977|14.229486|12.743683|17.644574|0.500000| |1.612915|1.696534|1.862761|2.020511|2.172813|2.109244|2.636963|1.838516|2.288676|2.195310|1.581332|2.324200|3.812752|3.667102|3.198695|4.053796|0.113874|3.482007|2.801274|3.230815|2.711707|3.834280|0.068940|0.085408|2.969326|3.678899|5.412216|8.571623|10.680261|12.438827|0.248111|36.858105| |1.793215|1.923880|2.111625|2.231966|2.395908|2.401756|3.071335|2.131883|2.670798|2.528316|1.862442|2.437351|3.866239|3.819985|3.538183|4.045103|0.112622|3.166254|2.705672|2.933609|2.406758|3.199814|0.058155|0.068479|2.451611|3.012127|5.456148|8.819342|10.341988|12.237406|0.247173|7.291392|36.858105| |1.647862|1.782204|1.960341|2.059324|2.244316|2.304594|2.957758|2.016936|2.534760|2.370081|1.797161|2.290950|3.642720|3.621516|3.275697|3.719144|0.110729|2.940031|2.596584|2.624333|2.202424|2.975720|0.054545|0.062831|2.344590|2.871829|4.488291|6.887572|8.450365|7.414223|0.152333|6.075500|12.394095|36.858105| |1.666630|1.759517|1.889191|1.970698|2.065614|2.058292|2.677016|1.893914|2.417062|2.321831|1.696221|2.082962|3.366292|3.165778|2.808499|3.119851|0.085704|2.603275|2.256494|2.503423|2.120380|2.838159|0.052358|0.061288|2.132914|2.520573|4.006817|6.991477|6.759779|7.554537|0.195203|6.194566|12.380628|7.606579|36.858105| |2.042478|2.224287|2.453553|2.561578|2.737843|2.776571|3.592057|2.498243|3.122104|2.933414|2.166565|2.691910|4.177222|4.175473|4.016728|4.220798|0.113263|3.206214|2.814445|3.011946|2.433803|3.126672|0.056911|0.065878|2.364507|2.883481|5.572058|9.478413|8.826183|7.551613|0.196520|4.847078|12.388261|7.609997|7.649290|36.858105| |5.554392|5.640449|7.053323|11.014223|6.976673|4.739496|5.688016|4.778088|5.298178|5.628788|3.013205|6.072728|10.870880|6.077181|4.053803|3.320514|0.079491|3.451354|3.666320|4.038405|3.729410|3.920597|0.074845|0.075326|2.630832|2.741603|3.071199|6.008995|3.450954|2.267112|0.066871|1.991128|2.114838|1.921712|1.901202|2.369951|448.794386| |17.574944|8.893209|6.342218|5.407609|3.906394|3.409154|4.838340|4.569667|6.195346|8.252456|3.480509|3.238495|5.720967|3.662091|2.580096|2.206474|0.055734|2.204184|2.322460|2.411982|2.300092|2.647715|0.051938|0.051967|1.824683|1.883653|2.122083|4.063089|2.540743|1.741959|0.050941|1.555298|1.694250|1.564866|1.573716|1.902089|47.658701|0.500000| |17.617739|9.019404|5.448378|4.273675|3.304984|3.080558|4.600903|4.415348|6.756779|10.317627|3.902238|2.728090|4.669210|3.227082|2.360030|2.032951|0.051866|1.977099|2.051523|2.125024|1.993194|2.345200|0.045829|0.046568|1.635178|1.709379|1.996835|3.819132|2.431813|1.694568|0.049544|1.506614|1.681802|1.552975|1.578990|1.909754|33.918417|0.300464|0.500000| |17.573227|8.889951|6.327338|5.389172|3.901222|3.406905|4.834390|4.564007|6.193472|8.255118|3.478657|3.218526|5.472304|3.759302|2.776220|2.375195|0.059225|2.316063|2.362848|2.565903|2.370432|2.722934|0.052726|0.054234|1.868059|1.963768|2.356002|4.626671|2.803714|1.944734|0.057707|1.709470|1.901037|1.722506|1.773382|2.173484|47.783149|0.302088|0.300462|0.500000| |2.959114|3.697314|5.040001|5.659622|8.896643|17.713917|12.835731|5.981077|5.915050|4.806945|3.810026|7.165807|9.264029|9.645926|6.338789|4.309485|0.115682|3.847989|4.837106|3.408470|2.934685|3.463110|0.064692|0.065651|2.685992|3.047941|3.461250|5.770819|4.096026|2.518778|0.068681|2.175808|2.462808|2.415073|2.083526|2.806479|31.403919|0.079701|0.072924|0.079617|0.500000| |3.751340|4.909756|4.558987|3.505856|3.286926|3.794909|6.887845|5.966807|12.477960|9.513279|17.615810|2.623166|4.178455|3.336181|2.557577|2.138977|0.056902|1.949052|2.066941|1.931997|1.746482|2.126017|0.040959|0.042148|1.562208|1.694703|2.070697|3.748458|2.615614|1.808057|0.050930|1.581978|1.891870|1.818423|1.738512|2.219441|22.405279|0.090207|0.106084|0.094516|0.092947|0.500000| |3.757902|4.917792|4.566321|3.511400|3.288506|3.793325|6.885126|5.973401|12.481081|9.529476|17.617784|2.632977|4.285980|3.265352|2.399332|2.011478|0.053731|1.879841|2.038581|1.862979|1.717494|2.089158|0.040582|0.041047|1.536011|1.641489|1.904760|3.426756|2.395861|1.640098|0.046056|1.456198|1.685807|1.633694|1.547569|1.930105|22.403873|0.094703|0.106309|0.090304|0.092948|0.299864|0.500000| |3.384490|4.536347|4.815523|3.820982|3.823472|4.853850|9.845401|7.271232|12.610637|7.867201|17.661686|2.995724|4.697114|3.807360|2.857924|2.334153|0.062828|2.123142|2.320420|2.056066|1.856685|2.259760|0.043461|0.044342|1.684372|1.833836|2.186380|3.872458|2.752418|1.859994|0.051716|1.630197|1.930318|1.886356|1.739522|2.245310|23.154779|0.085231|0.091156|0.085160|0.120106|0.299387|0.299488|0.500000| |3.020623|3.464960|4.440523|5.557994|6.966418|5.945945|6.309771|4.219229|4.573404|4.204471|2.864087|7.230457|9.259332|12.270069|17.646843|8.748739|0.176032|6.357189|6.041149|6.010914|4.200497|4.666697|0.082173|0.091561|3.453303|4.286345|7.299249|13.006239|6.908669|3.953105|0.113168|3.137310|3.585522|3.181446|2.894183|4.249978|37.830698|0.079722|0.073085|0.088930|0.158513|0.076052|0.069982|0.082582|0.500000| |2.569081|3.003159|3.787621|4.386015|5.888492|6.329998|6.627668|3.986798|4.370599|3.837796|2.877653|6.132801|8.002699|12.207109|17.606366|8.742741|0.227169|5.732977|6.176710|4.555612|3.481704|4.162007|0.074348|0.080796|3.308489|4.204013|6.235515|9.275037|6.915197|3.816360|0.101377|3.087510|3.625095|3.482202|2.839906|4.219424|28.484631|0.068171|0.063813|0.073076|0.204150|0.075760|0.070239|0.086695|0.301912|0.500000| |2.098606|2.323109|2.810181|3.371861|4.317556|4.070721|4.368541|2.794313|3.188471|2.926361|2.125642|5.980654|9.622930|12.431539|6.725665|7.187534|0.215059|8.809950|17.522002|5.483927|4.754446|6.047131|0.106743|0.107076|5.645675|7.049423|4.587182|6.907740|5.358230|3.024828|0.080187|2.768149|2.667886|2.643421|2.214400|2.734003|24.833490|0.058411|0.052430|0.059107|0.130753|0.055282|0.054673|0.062779|0.139288|0.164761|0.500000| |2.307512|2.508033|3.050347|3.849005|4.813215|4.058425|4.325980|2.883440|3.266587|3.070245|2.123206|7.695227|15.105447|12.498949|5.792306|5.706936|0.144299|8.540984|17.712031|6.892538|6.782564|7.502384|0.133609|0.123479|6.177221|6.301371|4.069802|6.706119|4.566465|2.700597|0.074500|2.482374|2.368278|2.271186|2.024402|2.453882|30.233702|0.065568|0.056804|0.065190|0.120464|0.054890|0.055096|0.061433|0.135546|0.131423|0.302523|0.500000| |2.786338|2.938163|3.540712|4.638011|5.111410|3.934981|4.365740|3.116961|3.544948|3.458421|2.232379|6.794415|11.430982|9.707410|6.739633|6.718168|0.137755|8.709018|6.941702|17.637089|9.024187|7.640799|0.127170|0.144589|4.865488|5.508446|5.800158|11.548488|5.647321|3.393956|0.100810|2.953737|2.860436|2.538959|2.452462|3.051892|41.697335|0.077468|0.067112|0.083299|0.105173|0.059117|0.056902|0.062742|0.204164|0.135533|0.139725|0.180729|0.500000| |2.299542|2.384588|2.745112|3.318949|3.581205|3.031854|3.519034|2.504158|2.954417|2.890588|1.917121|4.355588|7.441742|6.747321|5.277439|6.732009|0.141602|8.779582|5.483673|17.603909|8.900165|9.441562|0.144589|0.207322|5.714370|6.846833|6.996850|14.359340|6.816260|4.114984|0.125155|3.683391|3.209473|2.784323|2.757599|3.234005|29.085990|0.063396|0.056922|0.068974|0.083538|0.051599|0.049115|0.054008|0.151374|0.114564|0.123019|0.138855|0.307250|0.500000| |2.292150|2.371495|2.765176|3.461156|3.812269|3.113682|3.528218|2.496494|2.913840|2.849511|1.881752|5.246987|11.303024|7.121066|4.213450|4.441417|0.107230|6.677560|6.666636|8.718856|17.650576|12.355507|0.223521|0.180821|6.870836|5.682113|3.708764|6.648270|4.151219|2.578359|0.073790|2.422466|2.211906|2.058857|1.949701|2.260184|31.320870|0.066075|0.056349|0.066263|0.086477|0.049345|0.049264|0.053110|0.111985|0.095991|0.142224|0.240377|0.212577|0.172921|0.500000| |2.288529|2.299139|2.601264|3.178608|3.292026|2.712981|3.178645|2.311637|2.751929|2.747885|1.776395|4.090800|8.092774|5.539285|3.699146|4.013026|0.094929|5.452898|4.631368|8.792522|17.629343|12.363327|0.222249|0.225721|5.572225|4.883061|3.745488|7.200996|4.183401|2.696484|0.079835|2.547820|2.272893|2.057788|2.042624|2.306383|30.512765|0.065539|0.056457|0.067886|0.073658|0.047262|0.046446|0.049512|0.104618|0.085019|0.104802|0.140716|0.213896|0.216230|0.301594|0.500000| |1.818387|1.913390|2.201556|2.603252|2.968069|2.663222|3.067131|2.098755|2.492006|2.385758|1.664840|3.853420|7.346785|6.026467|3.774633|4.452413|0.120946|6.696898|6.592625|5.707655|6.908969|12.443850|0.225132|0.181250|17.628881|8.746975|3.598237|5.881573|4.343274|2.644538|0.072263|2.605381|2.247478|2.176329|1.959685|2.203399|21.478548|0.051556|0.045805|0.051894|0.078240|0.043896|0.043677|0.047838|0.093008|0.091230|0.176031|0.208225|0.127359|0.132282|0.205746|0.142556|0.500000| |1.636649|1.704344|1.922147|2.218076|2.461677|2.250763|2.661395|1.839925|2.222988|2.142420|1.500273|3.011407|5.531024|4.696022|3.231628|4.019815|0.111158|5.453869|4.585607|4.896430|5.563035|12.365309|0.222849|0.224599|17.624196|8.752593|3.559317|5.812177|4.511050|2.819231|0.076655|2.924422|2.334489|2.257791|2.059488|2.209051|18.431766|0.046017|0.041638|0.047105|0.065586|0.040041|0.039352|0.042959|0.081676|0.079712|0.125759|0.129115|0.107568|0.128738|0.141913|0.126476|0.301377|0.500000| |1.815610|1.914808|2.185567|2.532523|2.848931|2.610704|3.060125|2.100366|2.513872|2.404690|1.688101|3.447471|5.877255|5.793646|4.483315|6.790373|0.180978|8.795577|5.451959|6.823546|5.654903|9.336927|0.143528|0.203634|8.878203|17.517709|6.315022|9.398353|7.814723|4.405359|0.117740|4.456349|3.326934|3.111804|2.787181|3.075325|20.604422|0.050067|0.045963|0.052944|0.076135|0.045427|0.043545|0.048489|0.111821|0.106978|0.144058|0.131653|0.139631|0.200775|0.131177|0.127680|0.173012|0.215484|0.500000| |1.779547|1.908829|2.207645|2.557361|2.986735|2.810572|3.242333|2.166624|2.571867|2.419109|1.740545|3.708837|6.292719|6.548976|4.718377|6.764707|0.215751|8.762113|6.897939|5.508545|4.863643|7.616530|0.127077|0.143194|8.995842|17.561614|5.128193|7.388055|6.530373|3.631204|0.093779|3.585700|2.976181|2.951744|2.470775|2.822077|20.038510|0.049273|0.045095|0.051020|0.085089|0.046352|0.045001|0.050667|0.109158|0.116848|0.215923|0.159545|0.122660|0.139565|0.127516|0.107493|0.214257|0.212212|0.303844|0.500000| |1.842910|2.002252|2.284763|2.528451|2.876112|2.849929|3.437698|2.300996|2.776925|2.588682|1.907136|3.147033|4.930849|5.413900|5.173611|7.545820|0.248501|5.164012|4.103889|4.097972|3.205676|4.365687|0.076467|0.091631|3.614675|5.064349|9.462229|10.873415|26.075221|9.001831|0.180829|6.985392|6.676860|6.601553|4.462027|5.634438|19.072625|0.049313|0.047189|0.053611|0.084748|0.052216|0.048171|0.055724|0.128245|0.143210|0.116417|0.093598|0.104110|0.120435|0.081479|0.079296|0.090145|0.093434|0.157028|0.145898|0.500000| |1.536624|1.603967|1.738833|1.865356|1.976877|1.922458|2.434981|1.714353|2.157878|2.083687|1.498059|2.086009|3.448100|3.219415|2.763085|3.341072|0.092826|2.944123|2.432686|2.815653|2.420632|3.410683|0.062352|0.076121|2.589277|3.079957|4.308395|7.256868|7.661628|8.747079|0.210924|17.611849|6.644454|5.479368|6.937152|4.466370|14.850890|0.041091|0.040125|0.045322|0.054644|0.041875|0.038438|0.042689|0.076553|0.074551|0.066569|0.060896|0.072676|0.088881|0.060408|0.064322|0.063817|0.071432|0.101066|0.083184|0.141361|0.500000| |1.531484|1.620457|1.783270|1.927663|2.094534|2.061377|2.578269|1.779292|2.216601|2.110778|1.544012|2.246442|3.686613|3.573171|3.080137|3.894075|0.115195|3.345979|2.758286|2.993334|2.553009|3.657129|0.066237|0.080130|2.922324|3.628172|4.810297|7.301491|9.547082|8.720414|0.173455|17.552560|6.503106|6.607761|5.387404|4.410100|15.070081|0.041120|0.039837|0.044709|0.059831|0.042796|0.039582|0.044510|0.081825|0.084309|0.077638|0.067737|0.075874|0.091735|0.064363|0.065900|0.071931|0.080973|0.119695|0.102477|0.202983|0.301951|0.500000| |1.619675|1.692161|1.861860|2.043926|2.195523|2.096385|2.596448|1.817076|2.251425|2.171231|1.544239|2.392632|3.974705|3.772173|3.220107|4.196957|0.115424|3.800580|2.958417|3.584888|3.027767|4.393318|0.078130|0.100556|3.377261|4.184353|5.527414|8.921632|9.814129|8.851796|0.217830|17.556764|5.395827|4.611995|4.738463|4.076355|16.445522|0.043681|0.041858|0.047778|0.059919|0.042681|0.039655|0.044076|0.087505|0.083987|0.080341|0.073340|0.088437|0.116670|0.073694|0.078935|0.080130|0.093296|0.149091|0.109952|0.175789|0.302583|0.301787|0.500000| |1.521328|1.631148|1.784062|1.879207|2.039895|2.078436|2.663637|1.824634|2.301965|2.165959|1.634622|2.106982|3.400002|3.312386|2.906262|3.361686|0.100905|2.765426|2.433208|2.475012|2.116101|2.916985|0.053737|0.062011|2.311380|2.799503|3.978165|6.158597|7.432071|6.665727|0.138276|6.679264|8.692141|17.563812|6.897802|5.491645|14.260597|0.040386|0.039926|0.044112|0.060558|0.045816|0.041633|0.047518|0.077858|0.084280|0.069264|0.059742|0.065582|0.073243|0.054842|0.055017|0.059273|0.062870|0.085402|0.080541|0.164610|0.172589|0.225931|0.136613|0.500000| |1.613128|1.748754|1.905918|1.970342|2.129902|2.216856|2.898016|1.981390|2.521086|2.351653|1.810211|2.134404|3.397338|3.314826|2.956007|3.203524|0.094418|2.582403|2.342181|2.337523|1.988763|2.667625|0.049387|0.055991|2.085388|2.497271|3.728238|5.932602|6.423287|5.433361|0.123498|4.611184|8.806122|17.561809|6.961627|7.018697|14.648995|0.042359|0.042524|0.046670|0.064276|0.051305|0.045673|0.052860|0.080640|0.088623|0.066252|0.057529|0.063734|0.068196|0.052138|0.052000|0.054429|0.055821|0.073859|0.071271|0.136830|0.122606|0.135847|0.102567|0.303004|0.500000| |1.697407|1.855376|2.069455|2.189327|2.435209|2.530600|3.209061|2.148495|2.668937|2.466827|1.891089|2.505229|3.940325|4.053633|3.721354|4.262906|0.133153|3.253714|2.904381|2.799652|2.328729|3.139920|0.057267|0.065482|2.523364|3.155764|4.907706|7.133171|9.317874|6.700768|0.139024|5.448619|8.691737|17.520834|5.486976|6.865468|16.160513|0.044889|0.044224|0.048996|0.075023|0.052699|0.047621|0.055693|0.097157|0.112994|0.083577|0.069402|0.075022|0.080963|0.060923|0.059586|0.065486|0.066957|0.093302|0.092091|0.227875|0.129066|0.170033|0.122004|0.300813|0.303582|0.500000| |1.729811|1.807384|1.927639|2.013706|2.081200|2.043616|2.659063|1.906531|2.437377|2.367827|1.695611|2.094076|3.400925|3.142537|2.773498|3.059366|0.081737|2.597757|2.233136|2.573897|2.179493|2.893567|0.053397|0.062982|2.131585|2.492533|3.996309|7.381669|6.361078|7.005774|0.214929|5.716661|8.727400|5.499141|17.536428|6.852739|15.838057|0.045294|0.045488|0.051617|0.056760|0.048364|0.043007|0.047869|0.081124|0.076371|0.059983|0.056060|0.070496|0.080018|0.055236|0.059045|0.054200|0.056979|0.076863|0.066621|0.112281|0.181741|0.130493|0.129710|0.140931|0.141017|0.122166|0.500000| |1.638911|1.735522|1.848378|1.900039|1.981768|2.000460|2.640445|1.871577|2.414922|2.314974|1.713261|1.968115|3.177076|2.960043|2.605285|2.799720|0.077390|2.347762|2.085227|2.256617|1.931661|2.569807|0.047790|0.054955|1.932111|2.255257|3.447638|6.031872|5.579800|5.492099|0.144243|4.642990|8.798580|6.874518|17.564636|7.133756|14.571717|0.042780|0.043432|0.048248|0.056143|0.049180|0.043377|0.048827|0.074746|0.074430|0.057096|0.052241|0.062158|0.067896|0.049898|0.051817|0.049909|0.051798|0.067965|0.061884|0.105830|0.140378|0.119297|0.104131|0.168517|0.206782|0.140537|0.302218|0.500000| |1.533582|1.610850|1.725766|1.805398|1.895776|1.885959|2.446736|1.728248|2.209360|2.126092|1.555860|1.932835|3.157466|2.937044|2.550481|2.878133|0.080276|2.462056|2.133663|2.357480|2.030901|2.769292|0.051338|0.060126|2.093394|2.452123|3.600925|6.188930|6.138744|6.687414|0.166538|6.739830|8.682810|6.971425|17.577526|5.510060|14.083860|0.040506|0.040448|0.045141|0.053327|0.044114|0.039720|0.044356|0.071870|0.071315|0.058636|0.053518|0.063275|0.072115|0.051862|0.054344|0.053231|0.056932|0.076018|0.067252|0.116439|0.237661|0.167838|0.139161|0.207929|0.173988|0.140862|0.301174|0.303229|0.500000| |2.154388|2.391511|2.701199|2.845441|3.127925|3.226597|4.111444|2.789264|3.417007|3.151267|2.360173|3.068725|4.650960|4.888621|4.961625|5.055535|0.136824|3.610732|3.212274|3.277273|2.599990|3.303637|0.059772|0.068606|2.533913|3.149796|6.417691|10.160812|9.720070|6.739023|0.169467|4.462039|8.708572|6.954478|5.512013|17.561519|20.554336|0.055771|0.055499|0.063195|0.091882|0.066471|0.057901|0.068833|0.143243|0.151617|0.087068|0.076185|0.092938|0.095335|0.067666|0.067384|0.066127|0.064917|0.091296|0.086437|0.179204|0.109609|0.116860|0.107842|0.140585|0.174835|0.206219|0.139415|0.144243|0.122323|0.500000| |1.973121|2.152865|2.338677|2.385287|2.522608|2.607666|3.461364|2.417553|3.080889|2.887706|2.177759|2.433985|3.801813|3.699499|3.437390|3.483249|0.095199|2.744722|2.484773|2.591796|2.149711|2.769895|0.051045|0.058054|2.093775|2.495964|4.259854|7.341729|6.545585|5.486317|0.144280|4.005761|8.793722|6.915973|7.083431|17.560739|17.570790|0.050772|0.051820|0.057965|0.073041|0.062788|0.053841|0.062751|0.100531|0.102423|0.067673|0.061021|0.073443|0.076179|0.056125|0.056964|0.054805|0.054739|0.073028|0.068566|0.123543|0.106842|0.104688|0.094555|0.141389|0.210176|0.168679|0.171477|0.219427|0.144015|0.302860|0.500000| 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