Version2.0 2020-03-06T09:33:54Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 17-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CN1c2c(cc(cc2NC(=O)[C@H]3CCCO3)C(=O)NCCC4=c5ccccc5=[NH+]C4)N[C@@H]1C6CCC6 C64066872 RHF 6-31G(d) (6D,7F) CN1c2c(cc(cc2NC(=O)[C@H]3CCCO3)C(=O)NCCC4=c5ccccc5=[NH+]C4)N[C@@H]1C6CCC6 C01[X(C28H34N5O3)] 204 C1 608 O=C(c1cc2N[C@@H](N(c2c(c1)NC(=O)[C@H]1CCCO1)C)C1CCC1)NCCC1=c2ccccc2=[NH+]C1 O=C(c1cc2N[C@@H](N(c2c(c1)NC(=O)[C@H]1CCCO1)C)C1CCC1)NCCC1=c2ccccc2=[NH+]C1 CN1[C@H](Nc2cc(cc(NC(=O)[C@H]3CCCO3)c12)C(=O)NCCC4=C5C=CC=CC5=[NH+]C4)C6CCC6 InChIKey=PCGGJKXZHIOZGB-RSXGOPAZSA-O InChI=1S/C28H33N5O3/c1-33-25-22(31-26(33)17-6-4-7-17)14-19(15-23(25)32-28(35)24-10-5-13-36-24)27(34)29-12-11-18-16-30-21-9-3-2-8-20(18)21/h2-3,8-9,14-15,17,24,26,31H,4-7,10-13,16H2,1H3,(H,29,34)(H,32,35)/p+1/t24-,26+/m1/s1 InChI=1/C28H33N5O3/c1-33-25-22(31-26(33)17-6-4-7-17)14-19(15-23(25)32-28(35)24-10-5-13-36-24)27(34)29-12-11-18-16-30-21-9-3-2-8-20(18)21/h2-3,8-9,14-15,17,24,26,31H,4-7,10-13,16H2,1H3,(H,29,34)(H,32,35)/p+1/t24-,26+/m1/s1/fC28H34N5O3/h29-30,32H/q+1 CN1c2c(cc(cc2NC(=O)[C@H]3CCCO3)C(=O)NCCC4=c5ccccc5=[NH+]C4)N[C@@H]1C6CCC6 C01[X(C28H34N5O3)] 204 C01 608 O=C(c1cc2N[C@@H](N(c2c(c1)NC(=O)[C@H]1CCCO1)C)C1CCC1)NCCC1=c2ccccc2=[NH+]C1 O=C(c1cc2N[C@@H](N(c2c(c1)NC(=O)[C@H]1CCCO1)C)C1CCC1)NCCC1=C2C=CC=C[C@H]2NC1 CN1[C@H](Nc2cc(cc(NC(=O)[C@H]3CCCO3)c12)C(=O)NCCC4=C5C=CC=C[C@H]5NC4)C6CCC6 InChIKey=GVPHYSXZNDRGNL-QQSVUBKYSA-N InChI=1S/C28H35N5O3/c1-33-25-22(31-26(33)17-6-4-7-17)14-19(15-23(25)32-28(35)24-10-5-13-36-24)27(34)29-12-11-18-16-30-21-9-3-2-8-20(18)21/h2-3,8-9,14-15,17,21,24,26,30-31H,4-7,10-13,16H2,1H3,(H,29,34)(H,32,35)/t21-,24-,26+/m1/s1 InChI=1/C28H35N5O3/c1-33-25-22(31-26(33)17-6-4-7-17)14-19(15-23(25)32-28(35)24-10-5-13-36-24)27(34)29-12-11-18-16-30-21-9-3-2-8-20(18)21/h2-3,8-9,14-15,17,21,24,26,30-31H,4-7,10-13,16H2,1H3,(H,29,34)(H,32,35)/t21-,24-,26+/m1/s1/f/h29,32H 3692.0641736368 -1576.7383506 1-A 28117.9890 130 478 608 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.61697 -20.61379 -20.59727 -15.76579 -15.67934 -15.66981 -15.63808 -15.63208 -11.47300 -11.44263 -11.43971 -11.43492 -11.41533 -11.41032 -11.38990 -11.38467 -11.38433 -11.37605 -11.36511 -11.36461 -11.35650 -11.35476 -11.35006 -11.34091 -11.32937 -11.32142 -11.31902 -11.31424 -11.30243 -11.29949 -11.29103 -11.28250 -11.27709 -11.27687 -11.27307 -11.27176 -1.48425 -1.47210 -1.47091 -1.43864 -1.38212 -1.33370 -1.32435 -1.29329 -1.25758 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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 14085.3111 38100.6259 49699.6556 0.99998 -0.00671 -0.00005 0.00671 0.99995 -0.00760 0.00010 0.00760 0.99997 1 0.00615 0.00227 0.00174 0.12813 0.04737 0.03631 18.64 26.56 28.06 30.11 48.46 58.26 61.53 66.04 87.61 92.63 102.95 129.54 141.02 155.24 179.40 197.31 208.91 244.78 270.22 278.22 289.01 324.55 334.64 347.31 362.34 377.57 384.16 390.34 442.76 457.08 462.36 468.91 495.29 514.55 586.73 609.12 632.68 653.64 694.08 710.89 724.94 734.23 745.48 798.49 827.10 836.70 847.64 869.39 901.96 910.86 924.68 930.45 936.12 974.04 1013.45 1052.05 1064.35 1099.56 1139.28 1164.68 1183.96 1187.33 1197.72 1202.80 1220.36 1234.87 1246.42 1249.22 1254.43 1259.62 1305.14 1364.39 1376.96 1378.28 1381.47 1401.78 1418.22 1423.08 1432.12 1445.77 1452.59 1470.21 1494.95 1495.97 1500.52 1510.95 1514.81 1526.65 1535.61 1538.53 1585.97 1596.61 1630.14 1639.23 1650.23 1660.33 1672.38 1673.79 1686.47 1697.26 1708.13 1735.62 1766.05 1778.78 1796.57 1815.44 1823.05 1831.07 1851.25 1866.60 1870.41 1876.05 1881.37 1897.69 1907.99 1924.37 1927.58 1937.90 1953.85 1958.15 1969.09 1984.29 1991.48 1997.82 2012.11 2027.94 2032.51 2052.37 2059.96 2066.03 2070.20 2101.74 2106.72 2112.19 2131.36 2149.26 2161.11 2165.34 2192.23 2205.90 2212.62 2233.32 2253.14 2255.07 2277.17 2279.21 2295.65 2302.75 2316.62 2335.16 2345.15 2348.25 2353.86 2363.22 2366.79 2374.61 2376.87 2379.75 2387.51 2398.17 2426.31 2439.47 2481.03 2498.73 2533.22 2598.09 2609.22 2647.89 2739.49 2826.82 4599.83 4619.69 4631.28 4636.97 4641.76 4644.73 4647.13 4658.58 4666.84 4674.36 4683.47 4683.89 4691.57 4700.48 4706.14 4715.56 4718.67 4720.27 4731.94 4740.76 4745.69 4759.30 4765.83 4772.52 4874.21 4886.27 4903.46 4907.93 4914.83 4988.22 5504.12 5548.60 5578.93 5608.65 0.638716 0.669741 0.670685 0.570859 -1576.099634 -1576.068609 -1576.067665 -1576.167492 3.348214D-04 MUNgauss RevisionA2.0 retrievium 06-Mar-2020 DUDE CN1c2c(cc(cc2NC(=O)[C@H]3CCCO3)C(=O)NCCC4=c5ccccc5=[NH+]C4)N[C@@H]1C6CCC6 C64066872 RHF 6-31G(d) (6D,10F) C1 488.266165 |X|Y|Z| 141.252046 85.312254 29.788824 71.070031 33 6 7 8 27 5 1 |36.858105| |13.003135|53.358707| |7.902601|18.273752|36.858105| |5.819086|11.242687|13.698727|36.858105| |4.243266|7.186088|7.908425|13.856808|36.858105| |3.856609|6.262341|6.965137|8.048322|13.633996|36.858105| |4.284301|6.936637|8.015078|6.900791|7.830573|13.753954|36.858105| |5.918075|10.318269|13.833420|7.883879|6.743738|7.901720|13.627257|36.858105| |5.689992|8.885347|7.981340|5.180933|4.509304|5.120882|7.708455|13.574150|53.358707| |4.279988|6.112324|5.188022|3.899947|3.653454|4.312975|6.266888|7.673038|19.036247|36.858105| |3.624660|5.130085|4.512888|3.638470|3.617461|4.510933|6.588175|6.589787|11.467199|15.884979|73.516695| |3.811746|5.218159|3.991003|3.123511|2.883949|3.225464|4.198649|5.022988|10.672082|12.458882|14.169031|36.858105| |4.030552|5.637246|4.098118|3.169708|2.849902|3.091840|3.927984|4.895850|10.368537|8.845679|10.480151|17.564348|0.500000| |3.701930|4.682332|3.472003|2.796167|2.583382|2.832854|3.526872|4.113811|7.695022|7.542405|10.884349|12.388563|0.241790|36.858105| |2.941523|3.802545|2.912178|2.446325|2.342851|2.620521|3.207422|3.471377|5.980279|6.043177|10.584998|7.998847|0.160188|12.446767|36.858105| |2.651345|3.576761|2.758698|2.336829|2.258777|2.544504|3.114414|3.311994|5.714195|5.826326|10.220967|8.183779|0.168721|8.002276|12.461850|36.858105| |2.995918|4.174469|3.235338|2.665156|2.541770|2.873924|3.628602|3.991777|7.393750|7.975694|12.212579|13.695449|0.262602|8.137337|8.073297|13.445902|73.516695| |2.982541|4.605829|4.506502|5.118945|7.715728|12.764507|7.616365|5.033752|5.215126|3.519772|6.864584|2.748467|0.072381|2.459492|2.364608|2.322560|4.540350|36.858105| |2.657058|4.102394|3.826654|4.544254|6.729473|8.024562|5.324756|4.001145|4.310442|2.908830|5.537956|2.364888|0.063232|2.136999|2.058068|2.034444|3.949739|15.751391|73.516695| |2.716821|4.042930|3.808485|3.990766|5.214140|7.828456|6.653380|4.487919|4.996926|3.603725|7.467098|2.809321|0.072094|2.538396|2.519829|2.476128|4.742785|14.018856|15.196036|53.358707| |2.264139|3.312568|2.969718|3.134564|3.925009|5.053080|4.435059|3.353091|3.935225|2.896716|5.928612|2.371963|0.061190|2.184042|2.212065|2.190215|4.101980|7.871515|12.579970|18.028192|36.858105| |2.045694|3.037059|2.673773|2.807217|3.430277|4.246011|3.832241|2.997072|3.602351|2.660015|5.349144|2.227633|0.058132|2.018916|2.050233|2.086520|3.937783|6.077502|10.896937|10.525570|12.286182|36.858105| |1.788568|2.625565|2.250625|2.384284|2.849510|3.304553|2.979604|2.448120|2.989388|2.202566|4.344481|1.897798|0.049930|1.748665|1.780766|1.807405|3.367047|4.409887|8.523950|6.895986|7.526924|12.737914|36.858105| |1.718452|2.522671|2.142017|2.317430|2.775660|3.083200|2.707092|2.268818|2.750522|1.992978|3.856689|1.731945|0.046021|1.606636|1.618716|1.631606|3.043515|4.045863|8.394864|5.813400|5.779610|7.435485|14.037195|36.858105| |1.804725|2.670418|2.272832|2.531540|3.091432|3.312278|2.792434|2.351507|2.797643|1.984008|3.780867|1.718258|0.046051|1.593225|1.581307|1.583128|2.977820|4.364735|9.941202|5.732972|5.202980|5.880169|7.446783|13.198147|36.858105| |1.655055|2.431487|2.029144|2.264280|2.693586|2.782277|2.380268|2.063225|2.480409|1.754673|3.305580|1.542329|0.041585|1.442133|1.428245|1.426450|2.671211|3.445718|7.567223|4.479222|3.861629|4.175299|5.145432|7.974103|14.174407|36.858105| |1.480153|2.152589|1.772967|1.941520|2.252070|2.339387|2.062977|1.812279|2.218806|1.588368|2.996595|1.413757|0.038067|1.330416|1.328592|1.330334|2.469453|2.817910|5.854209|3.796053|3.298512|3.609755|4.659389|6.912385|7.866575|13.205554|36.858105| |1.427151|2.066414|1.701921|1.833560|2.111943|2.239984|2.014296|1.764202|2.183366|1.583253|3.012350|1.413469|0.037860|1.331254|1.342683|1.350319|2.491330|2.702405|5.437865|3.775071|3.375273|3.811152|5.295538|7.677071|6.594068|7.698049|14.015885|36.858105| |1.523846|2.213338|1.844778|1.973130|2.296941|2.504978|2.260066|1.943721|2.401813|1.755069|3.380482|1.552640|0.041315|1.453824|1.474853|1.488853|2.748905|3.109603|6.196405|4.490947|4.241187|5.108199|8.412722|13.212290|7.620902|6.812397|8.087174|13.495941|36.858105| |1.475036|2.131388|1.771377|1.861836|2.140415|2.369493|2.194053|1.890824|2.369985|1.757980|3.415761|1.563506|0.041368|1.465914|1.504552|1.527495|2.798672|2.898754|5.537256|4.339829|4.122070|5.076252|8.265130|8.435900|5.280534|4.649625|5.252929|7.711812|14.440042|53.358707| |1.372885|1.973230|1.624429|1.697526|1.925738|2.112770|1.979117|1.728784|2.188258|1.629627|3.154430|1.464591|0.038795|1.380484|1.422177|1.445483|2.632565|2.522681|4.762431|3.754421|3.442145|4.069240|5.821785|5.916089|4.224955|3.943752|4.632643|6.800484|9.252816|26.027370|0.500000| |1.600753|2.321302|1.952950|2.031506|2.351987|2.686074|2.516048|2.126203|2.665679|1.998148|3.945088|1.757089|0.046112|1.634133|1.688403|1.723441|3.163188|3.353883|6.220025|5.271026|5.267235|7.214656|12.712673|8.215078|5.082635|4.106028|4.157238|5.200998|8.363916|17.935971|0.244069|36.858105| |5.974632|11.184716|8.451708|13.682339|7.576354|5.124468|4.611238|5.342826|5.606723|3.215240|5.268289|2.734321|0.078711|2.508929|2.184918|2.083073|4.175826|3.827065|6.431935|4.253075|2.592819|2.366625|2.075379|2.051987|2.255566|2.071746|1.793078|1.682080|1.779590|2.279164|0.042774|1.796374|53.358707| |7.766076|17.611353|8.366735|8.312744|5.241338|4.160486|4.157695|5.278896|6.071548|3.387398|5.314727|2.981175|0.088866|2.719600|2.298421|2.194914|4.463455|3.183292|5.274469|3.707803|2.285108|2.120341|1.864578|1.824648|1.966155|1.813641|1.597147|1.515124|1.603941|2.079543|0.039313|1.642446|17.621472|36.858105| |7.742916|12.373539|6.059287|6.035323|4.249488|3.474865|3.469650|4.265149|5.171792|3.009565|4.757120|2.730984|0.081293|2.570788|2.174620|2.054864|4.108047|2.771400|4.641516|3.297076|2.071044|1.918096|1.709607|1.681589|1.808593|1.686613|1.497183|1.420266|1.493243|1.938243|0.036825|1.520100|12.348377|17.598267|0.500000| |5.181528|10.494123|6.044134|6.009640|4.395945|3.650551|3.661373|4.452805|5.400793|3.102305|4.864392|2.808125|0.085606|2.498930|2.135772|2.098709|4.317468|2.906382|4.922102|3.401478|2.131601|2.037659|1.802395|1.766929|1.901483|1.761871|1.557214|1.477663|1.560067|2.024123|0.038352|1.594372|10.398155|12.539849|0.247333|36.858105| |3.837302|6.637203|4.206303|4.541715|3.666325|3.039496|2.936008|3.336683|4.095497|2.483208|4.004990|2.288736|0.068795|2.079175|1.819773|1.795271|3.618969|2.551005|4.471641|2.995570|1.928126|1.863874|1.682368|1.674770|1.820100|1.715473|1.520077|1.430733|1.491405|1.922430|0.036558|1.494285|8.060558|7.225795|0.185633|12.294976|36.858105| |3.493870|5.824549|3.610487|3.604129|2.996477|2.625559|2.632076|3.020786|3.913392|2.412408|3.841923|2.297947|0.070544|2.078381|1.809553|1.805202|3.658956|2.237471|3.884793|2.695806|1.749414|1.709168|1.546780|1.527973|1.635635|1.542973|1.384774|1.315852|1.373629|1.787366|0.034174|1.391422|5.803600|5.435063|0.145343|8.831642|12.335799|36.858105| |4.620439|8.106076|4.526142|4.177126|3.298010|2.919218|3.033602|3.681261|4.878581|2.901319|4.484232|2.771177|0.087027|2.483185|2.101309|2.079490|4.281645|2.409819|4.074993|2.918627|1.861049|1.795580|1.603176|1.565340|1.661628|1.550248|1.390587|1.330027|1.400862|1.833676|0.034999|1.441258|6.624080|7.245489|0.187627|12.338202|8.825255|12.337267|36.858105| |17.613188|12.386412|7.149868|5.041278|3.944701|3.825478|4.500261|6.368064|9.350716|5.208454|7.572772|4.640475|0.133811|4.637328|3.511594|3.068375|6.173428|2.984117|4.637777|3.807419|2.319355|2.084957|1.810512|1.720068|1.783770|1.626367|1.462227|1.421437|1.527718|2.029292|0.038583|1.630030|6.446618|5.635117|0.150291|4.253048|3.242895|3.045645|3.941083|0.500000| |17.602848|12.430048|5.724190|4.609659|3.510864|3.197340|3.490341|4.567031|6.297213|3.677292|5.556027|3.481677|0.104998|3.441205|2.734970|2.484211|4.952660|2.566987|4.147553|3.210444|2.008765|1.840525|1.629113|1.572563|1.649318|1.526682|1.374962|1.326116|1.407335|1.856755|0.035445|1.470918|6.876627|6.982152|0.221362|5.081365|3.884157|3.677578|4.979813|0.302158|0.500000| |17.514665|12.158386|6.987352|5.931442|4.412549|3.897753|4.122517|5.271448|6.453421|3.761498|5.950404|3.303092|0.093907|3.287303|2.714792|2.426900|4.756024|3.048374|4.858189|3.760734|2.312666|2.057655|1.810047|1.751656|1.852220|1.704606|1.520206|1.459158|1.552331|2.035065|0.038622|1.614787|8.560019|7.000793|0.206098|4.573570|3.608729|3.174885|3.946617|0.300743|0.299381|0.500000| |3.586999|5.819514|5.613755|8.861977|17.761126|8.866756|5.605083|4.888102|4.895314|3.038243|5.409710|2.482288|0.068270|2.259587|2.079417|2.011796|3.965075|7.175775|13.269871|6.562021|3.869821|3.413730|2.920070|2.935346|3.398436|2.990193|2.445955|2.247795|2.414031|3.003062|0.054970|2.383948|9.064392|4.541580|0.106871|3.950338|3.525649|2.839971|3.004933|0.091994|0.085409|0.105614|0.500000| |3.638002|5.611619|5.706823|4.977597|5.596958|8.875069|17.845190|8.971341|9.622159|6.896235|15.002880|4.470628|0.111397|3.691773|3.499636|3.466036|7.155900|6.971806|8.720901|9.975200|4.831875|4.200060|3.168713|2.787546|2.784745|2.351486|2.063529|2.048224|2.333102|3.138641|0.057741|2.703456|4.991321|3.417139|0.081660|3.111063|2.560270|2.353717|2.683456|0.109167|0.084929|0.096832|0.123502|0.500000| |6.370088|10.201648|7.592386|4.913349|4.070899|4.314380|5.786565|9.394517|26.023655|9.384925|10.844033|7.584757|0.245002|5.546197|4.104692|3.959904|9.183896|3.309001|5.034963|4.252494|2.536551|2.359706|1.996089|1.857590|1.899897|1.704257|1.530533|1.501132|1.636376|2.192827|0.041528|1.792645|5.674926|4.876908|0.115730|4.427570|3.256340|3.193061|4.164154|0.212211|0.149027|0.136852|0.092310|0.145736|0.500000| |3.486495|4.370669|3.118147|2.548443|2.333146|2.500768|3.021476|3.528019|6.351971|5.577487|8.190375|8.853477|0.224080|17.565017|8.791001|6.776105|12.072869|2.187033|3.435044|3.037686|1.948611|1.821166|1.597047|1.478566|1.470431|1.341508|1.242482|1.241483|1.346965|1.846552|0.035639|1.500065|3.193292|2.587330|0.068963|2.411642|2.025069|2.058383|2.461911|0.118500|0.093650|0.085412|0.057351|0.086301|0.135573|0.500000| |4.301485|5.156754|3.801880|3.029126|2.765225|3.003832|3.727796|4.439543|8.071895|7.208326|10.597668|8.637712|0.191733|17.579656|8.655353|5.707392|10.366715|2.570649|3.950815|3.586985|2.247677|2.040425|1.767984|1.633402|1.630948|1.477546|1.357640|1.352350|1.473265|2.010555|0.038558|1.641031|3.698687|2.936591|0.077715|2.612687|2.161646|2.129473|2.559938|0.157862|0.108797|0.106826|0.066818|0.105580|0.159322|0.301586|0.500000| |2.662903|3.392165|2.552818|2.185941|2.094385|2.305260|2.738719|2.942356|4.870965|4.534277|7.972681|5.721602|0.128250|8.697982|17.588084|8.719678|10.401053|2.106977|3.304991|3.048272|2.002172|1.860414|1.639778|1.499884|1.464642|1.332843|1.247463|1.262033|1.378660|1.917024|0.037183|1.568187|2.703947|2.089813|0.055675|1.945984|1.681031|1.677985|1.931971|0.087033|0.070025|0.069071|0.052296|0.081711|0.095226|0.218382|0.193821|0.500000| |2.949217|3.816969|3.008759|2.549675|2.484611|2.833781|3.492001|3.656358|6.082889|6.247944|12.384106|6.754401|0.137006|8.818560|17.607376|8.819756|11.753169|2.580235|3.942065|3.824926|2.454085|2.235000|1.925739|1.737726|1.689411|1.516564|1.408505|1.427103|1.576917|2.194782|0.042208|1.822589|3.053132|2.311310|0.060474|2.121794|1.810884|1.775009|2.047609|0.097574|0.074690|0.077095|0.061132|0.108208|0.110836|0.174131|0.217882|0.301080|0.500000| |2.425628|3.260574|2.461114|2.109537|2.028901|2.244305|2.679694|2.863388|4.832176|4.550872|7.762136|6.357005|0.148945|6.543069|8.746404|17.563949|16.630116|2.061636|3.259288|2.961195|1.952768|1.879355|1.650789|1.501100|1.458517|1.324246|1.241348|1.259950|1.380715|1.928585|0.037441|1.585228|2.604628|2.032235|0.053339|1.965346|1.699053|1.728301|1.979663|0.076925|0.064361|0.061670|0.050704|0.081148|0.096401|0.179453|0.133993|0.220897|0.175012|0.500000| |2.421155|3.304875|2.600073|2.245877|2.216553|2.533881|3.075844|3.138468|5.184374|5.202290|10.070536|6.158123|0.133320|5.791225|8.698001|17.620620|16.619360|2.367315|3.683882|3.507649|2.306276|2.211735|1.910801|1.706226|1.636715|1.468189|1.374498|1.405234|1.560079|2.197961|0.042480|1.838136|2.706524|2.059452|0.053387|1.975072|1.705647|1.703093|1.934848|0.076566|0.062647|0.062487|0.055180|0.097588|0.097440|0.137356|0.128309|0.190224|0.222692|0.300814|0.500000| |2.885658|4.215888|3.984285|3.967386|4.902703|7.389406|7.441523|4.936179|5.596879|4.170536|9.092673|3.155179|0.079156|2.862326|2.867070|2.778636|5.290252|9.338614|10.902666|26.092208|9.038163|5.971869|4.217676|3.572647|3.474420|2.824753|2.458529|2.466484|2.893968|3.893415|0.070115|3.455120|4.211684|2.754631|0.068287|2.494645|2.165828|1.967485|2.163184|0.084444|0.068993|0.081189|0.120678|0.252161|0.094629|0.068659|0.083029|0.069950|0.090803|0.066720|0.080625|0.500000| |2.165439|3.105701|2.737563|2.815983|3.386220|4.264728|3.998674|3.118989|3.775886|2.859325|5.971393|2.365682|0.060277|2.211876|2.286546|2.250468|4.131282|5.803773|9.101302|12.623847|17.605109|8.760053|6.463249|4.927491|4.267294|3.354344|2.999282|3.150576|3.939938|5.490617|0.095682|5.242279|3.216546|2.119222|0.053906|1.969806|1.780537|1.632114|1.744711|0.062382|0.053588|0.061449|0.091459|0.124428|0.067553|0.054617|0.063166|0.057739|0.071392|0.055580|0.066576|0.233461|0.500000| |2.200890|3.201905|2.840101|3.086902|3.909259|4.725275|3.953529|3.090696|3.598844|2.600418|5.190372|2.160586|0.056298|2.015472|2.022686|1.983187|3.701354|7.279991|13.404712|12.532635|17.614318|8.778240|7.241831|6.458266|6.234513|4.527303|3.741567|3.727238|4.600564|5.742170|0.097278|4.995535|3.535238|2.251150|0.057097|2.088080|1.914217|1.720031|1.813620|0.061856|0.054423|0.063312|0.111948|0.113414|0.065374|0.050396|0.058093|0.051360|0.061885|0.049571|0.057410|0.188349|0.302340|0.500000| |2.135531|3.235282|2.875037|3.069054|3.825279|4.723695|4.113298|3.192378|3.767203|2.717681|5.352834|2.265393|0.059842|2.024754|2.022755|2.069604|3.975457|6.913631|13.331016|10.158499|8.877029|17.621019|9.075824|6.852490|6.212791|4.346579|3.606148|3.653163|4.661570|5.978465|0.099986|5.611290|3.494515|2.281958|0.056734|2.218068|2.030399|1.849975|1.932700|0.059873|0.053317|0.059374|0.106595|0.121792|0.068858|0.050919|0.056790|0.050801|0.060593|0.051914|0.060313|0.155730|0.174947|0.202703|0.500000| |2.001955|2.961950|2.588139|2.640477|3.128800|3.897777|3.746389|2.962587|3.660918|2.773786|5.669718|2.334159|0.060421|2.099926|2.164294|2.236970|4.207805|5.121326|8.602136|9.085269|8.766499|17.581393|8.934294|5.596680|4.481687|3.432636|3.096459|3.333681|4.368409|6.356596|0.108072|6.954344|3.037994|2.040685|0.051334|1.973514|1.793725|1.666938|1.761631|0.057285|0.050201|0.055362|0.084356|0.118918|0.066389|0.052455|0.058259|0.054346|0.065671|0.055774|0.066858|0.159486|0.219552|0.173821|0.302269|0.500000| |2.000155|2.995177|2.593988|2.948460|3.732908|4.003874|3.234463|2.673457|3.111452|2.176151|4.136179|1.858854|0.049896|1.711546|1.683223|1.680664|3.191027|5.542434|14.175853|6.780359|5.837131|6.268816|6.605963|8.717906|17.721255|8.970443|5.576983|4.806053|5.490177|5.835838|0.098063|4.441396|3.515405|2.211224|0.055926|2.127915|2.022882|1.796307|1.830777|0.054655|0.050363|0.057108|0.116466|0.088076|0.058402|0.043707|0.048861|0.043042|0.049996|0.042803|0.048038|0.110045|0.125412|0.196769|0.200708|0.129366|0.500000| |1.675636|2.466832|2.046482|2.316953|2.748284|2.752423|2.331185|2.045770|2.446922|1.712622|3.193876|1.508847|0.040916|1.413073|1.388322|1.381661|2.595462|3.320885|7.371357|4.174503|3.436222|3.587797|4.109388|5.633974|9.041399|17.757378|8.782725|5.581328|4.926233|5.015444|0.089812|3.357828|2.926461|1.865851|0.048335|1.813957|1.786501|1.593048|1.587756|0.045354|0.043038|0.048141|0.086585|0.062962|0.046992|0.036636|0.040351|0.036034|0.040789|0.035709|0.039250|0.073785|0.083173|0.111293|0.105978|0.083534|0.214121|0.500000| |1.398161|2.025755|1.651244|1.808703|2.070460|2.117182|1.878003|1.672928|2.058002|1.469857|2.753904|1.318264|0.035629|1.245940|1.241368|1.240977|2.299749|2.487110|5.107840|3.320320|2.804965|3.004289|3.689652|4.973436|5.656774|8.813280|17.719357|9.089272|5.710804|5.711750|0.108327|3.401574|2.304228|1.513077|0.039643|1.478871|1.456771|1.328788|1.326449|0.038242|0.036273|0.039948|0.062600|0.051886|0.039683|0.032472|0.035340|0.032508|0.036413|0.032305|0.035494|0.060599|0.071807|0.087444|0.083922|0.073248|0.123781|0.215939|0.500000| |1.323002|1.905029|1.554988|1.662534|1.888402|1.994193|1.818074|1.610329|2.012552|1.466046|2.782869|1.320706|0.035400|1.249741|1.264811|1.273151|2.336779|2.355266|4.644162|3.306237|2.901432|3.230445|4.292138|5.502665|4.808495|5.518279|8.933780|17.753802|8.762752|9.217056|0.191903|4.539655|2.091848|1.396045|0.036536|1.364494|1.325246|1.226416|1.237924|0.036658|0.034314|0.037531|0.055450|0.051467|0.038594|0.032493|0.035196|0.033179|0.037249|0.033144|0.036828|0.061068|0.077038|0.087337|0.085642|0.081138|0.105064|0.123136|0.216857|0.500000| |1.562602|2.275330|1.905775|1.962651|2.246316|2.567339|2.449369|2.085779|2.645331|1.995323|3.931444|1.767465|0.046463|1.631499|1.691478|1.749609|3.218348|3.128099|5.724576|4.860452|4.547574|6.438207|8.885445|6.232806|4.302141|3.569803|3.610301|4.393575|6.318679|12.338114|0.205519|17.545132|2.366178|1.605994|0.041220|1.573996|1.474061|1.383520|1.432093|0.044294|0.040026|0.043442|0.062648|0.073724|0.049563|0.041697|0.045125|0.043595|0.050438|0.044834|0.052103|0.089963|0.125320|0.115565|0.148022|0.193970|0.107988|0.083297|0.084348|0.110436|0.500000| |1.602575|2.300043|1.932439|1.991354|2.289849|2.633245|2.503511|2.118641|2.675748|2.029318|4.051166|1.785968|0.046490|1.676291|1.750187|1.775994|3.222039|3.252668|5.844792|5.293499|5.355305|6.447588|8.870761|6.220306|4.293471|3.561346|3.600407|4.380945|6.301748|12.329492|0.204631|17.539196|2.393692|1.613774|0.041642|1.553529|1.448557|1.351679|1.409460|0.045631|0.040855|0.045008|0.063880|0.075478|0.049779|0.042598|0.046830|0.045266|0.052905|0.045251|0.052928|0.099163|0.162686|0.138832|0.135266|0.181933|0.107913|0.083128|0.084130|0.110142|0.300553|0.500000| |4.597834|8.070831|6.117716|9.321849|6.816218|4.617501|4.007956|4.374018|4.743678|2.815798|4.683343|2.432510|0.070028|2.232592|1.975664|1.904509|3.795588|3.653782|6.418486|4.022524|2.506744|2.323717|2.064401|2.069772|2.308824|2.142838|1.843887|1.712656|1.796497|2.281367|0.042811|1.781839|25.980723|9.050956|0.202142|7.213102|6.601003|4.405711|4.618149|0.105673|0.114343|0.133503|0.188748|0.091095|0.097820|0.058415|0.066291|0.050227|0.056259|0.048934|0.050867|0.079614|0.062981|0.070546|0.070665|0.060405|0.073613|0.062538|0.048580|0.043412|0.047882|0.048088|0.500000| |4.649470|9.643389|6.496573|6.424496|4.857364|4.101938|4.132039|4.971872|5.892005|3.346280|5.254657|2.966068|0.090271|2.562375|2.207656|2.204068|4.602870|3.220649|5.432198|3.720593|2.306878|2.230704|1.950027|1.900244|2.042816|1.873322|1.646903|1.565376|1.664116|2.159552|0.040750|1.712738|9.484720|8.908652|0.174531|17.538477|8.730780|7.118863|8.752209|0.111963|0.121151|0.114098|0.118651|0.096819|0.132005|0.067926|0.073433|0.055327|0.061120|0.056973|0.057987|0.075263|0.058668|0.062170|0.068353|0.060132|0.063947|0.053326|0.043190|0.039991|0.047175|0.046117|0.185782|0.500000| |3.326029|5.684503|3.888464|4.403588|3.746941|3.078385|2.891232|3.166267|3.822324|2.350318|3.853688|2.145943|0.063742|1.942264|1.725797|1.713844|3.442190|2.633365|4.717808|3.054701|1.980429|1.933376|1.753418|1.760007|1.932845|1.828505|1.610011|1.504725|1.562676|2.000509|0.037960|1.548404|7.501812|5.781255|0.144374|8.398647|17.570299|8.425426|6.152906|0.080037|0.091140|0.088739|0.103358|0.070262|0.082462|0.052233|0.055818|0.044277|0.047997|0.044993|0.045656|0.060488|0.050362|0.054899|0.059077|0.051330|0.059908|0.053266|0.042907|0.038605|0.042420|0.041408|0.185053|0.213244|0.500000| |3.841563|6.239114|3.886782|4.250695|3.444215|2.837470|2.721579|3.076204|3.785025|2.320743|3.767289|2.149515|0.064080|1.993286|1.747621|1.704404|3.391648|2.405104|4.227934|2.842805|1.842475|1.763916|1.604467|1.605376|1.748404|1.660426|1.475549|1.385551|1.436581|1.849188|0.035245|1.429877|7.944538|6.924730|0.205713|8.664771|17.530412|8.696324|7.046691|0.088699|0.110287|0.103568|0.093522|0.066129|0.083052|0.054098|0.058123|0.045165|0.048413|0.044895|0.044957|0.057250|0.047507|0.051230|0.052906|0.047001|0.053755|0.048237|0.039457|0.035733|0.038994|0.038649|0.182055|0.173081|0.300337|0.500000| |3.093404|5.171066|3.367959|3.359169|2.883439|2.573992|2.584303|2.914013|3.797210|2.369537|3.792515|2.261749|0.069481|2.018235|1.774120|1.795368|3.657634|2.220969|3.876523|2.681326|1.748058|1.731208|1.567481|1.546422|1.651328|1.556223|1.398492|1.331089|1.391010|1.812000|0.034651|1.411542|5.143126|4.539450|0.116840|7.046148|8.693348|17.574230|8.688972|0.077029|0.088529|0.078186|0.076152|0.064896|0.085377|0.055452|0.056737|0.045606|0.048287|0.047851|0.047286|0.054088|0.045188|0.047532|0.052354|0.047068|0.050287|0.044529|0.037244|0.034468|0.039200|0.037919|0.109329|0.188419|0.212659|0.173200|0.500000| |3.135234|4.937897|3.072557|3.070856|2.605166|2.305222|2.308522|2.618901|3.437714|2.163354|3.468467|2.091350|0.063939|1.923876|1.684143|1.674729|3.353143|1.998463|3.485386|2.435051|1.597914|1.560927|1.425838|1.413306|1.509742|1.435425|1.297122|1.233214|1.280613|1.668333|0.032030|1.291793|4.931689|4.469848|0.127380|6.163322|8.441648|17.593503|8.433500|0.076519|0.093754|0.080329|0.069448|0.058017|0.077489|0.053412|0.054767|0.043779|0.045768|0.044871|0.043883|0.049446|0.041660|0.043812|0.046603|0.042327|0.045709|0.041225|0.034745|0.032067|0.035665|0.034926|0.104135|0.141664|0.179841|0.213354|0.300785|0.500000| |5.000440|7.950235|4.226281|3.866657|3.053131|2.710965|2.825698|3.439971|4.632189|2.789311|4.309967|2.706313|0.084759|2.494930|2.094206|2.040384|4.144303|2.252348|3.797892|2.757766|1.766755|1.688918|1.515657|1.481391|1.568840|1.469828|1.324480|1.268293|1.332444|1.747122|0.033438|1.369685|6.256871|6.954330|0.209508|8.692226|7.047618|8.692955|17.540697|0.115718|0.162401|0.118105|0.077651|0.069809|0.110133|0.069475|0.072319|0.053952|0.056501|0.054193|0.052413|0.057185|0.046367|0.048011|0.050005|0.046033|0.047789|0.041825|0.035188|0.032886|0.037688|0.037401|0.118757|0.173472|0.140617|0.186422|0.173092|0.212950|0.500000| 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