Version2.0 2020-03-01T07:05:30Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 24-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cn1c(c(c(n1)c2ccccc2)C[NH+](Cc3ccccc3)C[C@@H](COCC#C)O)Oc4ccccc4 C36316208 RHF 6-31G(d) (6D,7F) Cn1c(c(c(n1)c2ccccc2)C[NH+](Cc3ccccc3)C[C@@H](COCC#C)O)Oc4ccccc4 C01[X(C30H32N3O3)] 198 C1 604 C#CCOC[C@H](C[NH+](Cc1c(nn(c1Oc1ccccc1)C)c1ccccc1)Cc1ccccc1)O C#CCOC[C@H](C[NH+](Cc1c(nn(c1Oc1ccccc1)C)c1ccccc1)Cc1ccccc1)O Cn1nc(c2ccccc2)c(C[NH+](C[C@H](O)COCC#C)Cc3ccccc3)c1Oc4ccccc4 InChIKey=DKGZNLFVOSXWOX-SANMLTNESA-O InChI=1S/C30H31N3O3/c1-3-19-35-23-26(34)21-33(20-24-13-7-4-8-14-24)22-28-29(25-15-9-5-10-16-25)31-32(2)30(28)36-27-17-11-6-12-18-27/h1,4-18,26,34H,19-23H2,2H3/p+1/t26-/m0/s1 InChI=1/C30H31N3O3/c1-3-19-35-23-26(34)21-33(20-24-13-7-4-8-14-24)22-28-29(25-15-9-5-10-16-25)31-32(2)30(28)36-27-17-11-6-12-18-27/h1,4-18,26,34H,19-23H2,2H3/p+1/t26-/m0/s1/fC30H32N3O3/h33H/q+1 Cn1c(c(c(n1)c2ccccc2)C[NH+](Cc3ccccc3)C[C@@H](COCC#C)O)Oc4ccccc4 C01[X(C30H32N3O3)] 198 C01 604 C#CCOC[C@H](C[NH+](Cc1c(nn(c1Oc1ccccc1)C)c1ccccc1)Cc1ccccc1)O C#CCOC[C@H](C[NH](Cc1c(nn(c1Oc1ccccc1)C)c1ccccc1)Cc1ccccc1)O Cn1nc(c2ccccc2)c(C[NH](C[C@H](O)COCC#C)Cc3ccccc3)c1Oc4ccccc4 InChIKey=OWSHDDKUCVXGNU-SANMLTNESA-N InChI=1S/C30H32N3O3/c1-3-19-35-23-26(34)21-33(20-24-13-7-4-8-14-24)22-28-29(25-15-9-5-10-16-25)31-32(2)30(28)36-27-17-11-6-12-18-27/h1,4-18,26,33-34H,19-23H2,2H3/t26-/m0/s1 InChI=1/C30H32N3O3/c1-3-19-35-23-26(34)21-33(20-24-13-7-4-8-14-24)22-28-29(25-15-9-5-10-16-25)31-32(2)30(28)36-27-17-11-6-12-18-27/h1,4-18,26,33-34H,19-23H2,2H3/t26-/m0/s1 3798.9198674702 -1542.3143587 1-A 19346.3431 128 476 604 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.73017 -20.68680 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 6.8901 13.3080 17.5221 24.3264 26.9963 34.4492 35.6848 41.9071 42.8188 45.5355 54.1979 65.5066 85.1868 87.7761 94.4345 100.1007 111.1383 121.2352 145.6985 161.2472 166.5736 186.2753 224.0268 238.8761 266.5173 268.2309 271.6556 304.5195 311.3805 332.6035 346.0822 377.0138 384.8357 387.0148 396.2653 428.7541 442.9005 454.9823 456.7288 460.2059 466.2200 484.0687 502.2808 520.3693 542.2779 552.8777 561.7444 598.6835 615.8203 648.0528 654.6717 669.6593 676.2872 678.8321 684.3697 711.0539 727.3119 765.5436 766.6764 777.8405 781.5265 810.2730 819.1546 837.7177 852.1158 856.9989 868.7890 886.5145 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239.66 268.01 322.32 343.69 383.46 385.92 390.85 438.14 448.01 478.54 497.94 542.44 553.69 556.83 570.14 616.88 637.24 654.62 657.13 662.13 670.79 696.47 722.67 748.70 780.22 795.47 808.22 861.37 886.03 932.40 941.93 963.49 973.03 976.69 984.66 1023.05 1046.44 1101.45 1103.08 1119.14 1124.44 1165.80 1178.58 1205.29 1226.00 1233.03 1249.99 1275.50 1281.39 1306.75 1349.00 1356.86 1375.47 1383.75 1387.10 1388.96 1421.87 1452.40 1472.62 1505.85 1514.91 1515.84 1537.95 1566.14 1567.58 1568.82 1587.30 1587.52 1594.94 1599.64 1611.98 1619.09 1620.92 1625.98 1628.14 1635.68 1636.44 1646.34 1649.10 1677.95 1685.13 1699.66 1702.14 1709.70 1712.44 1755.33 1757.43 1771.66 1790.32 1808.63 1834.67 1846.60 1859.75 1870.92 1874.37 1880.24 1898.81 1906.57 1922.97 1925.12 1935.95 1963.15 1985.29 1999.61 2014.86 2016.40 2031.61 2082.33 2085.37 2112.75 2115.64 2121.33 2143.74 2181.99 2204.47 2213.24 2238.38 2248.99 2268.48 2279.72 2299.72 2321.13 2326.36 2335.76 2339.61 2343.20 2344.50 2355.90 2367.61 2370.57 2373.40 2376.99 2382.71 2397.55 2407.12 2407.65 2433.78 2465.12 2527.00 2565.40 2569.88 2586.83 2597.89 2602.41 2610.20 3497.15 4581.49 4614.06 4615.72 4648.18 4669.40 4682.40 4726.11 4729.58 4743.21 4800.54 4808.95 4820.33 4825.30 4828.89 4831.01 4832.33 4835.33 4849.20 4854.03 4862.81 4863.61 4864.62 4878.86 4879.10 4879.22 4887.36 4891.09 4895.74 4897.82 5265.73 5313.86 5853.69 0.611511 0.643256 0.644200 0.540183 -1541.702847 -1541.671103 -1541.670159 -1541.774176 3.488747D-04 MUNgauss RevisionA2.0 retrievium 01-Mar-2020 DUDE Cn1c(c(c(n1)c2ccccc2)C[NH+](Cc3ccccc3)C[C@@H](COCC#C)O)Oc4ccccc4 C36316208 RHF 6-31G(d) (6D,10F) C1 482.244367 |X|Y|Z| 102.457240 76.633988 54.553336 75.380983 27 6 7 8 23 3 1 |36.858105| |13.132561|53.358707| |7.595351|19.524398|36.858105| |5.275503|11.846948|13.894271|36.858105| |5.451335|12.234162|8.695918|13.389458|36.858105| |7.890610|19.385939|8.668323|8.499198|14.618961|53.358707| |3.951322|7.327299|5.224972|7.284803|12.853744|10.685438|36.858105| |3.579607|6.131340|4.150734|5.115483|7.657653|8.661762|13.689596|36.858105| |2.855514|4.636026|3.224034|3.865262|5.064161|5.985167|7.912450|13.765697|36.858105| |2.550546|4.127611|2.969686|3.612857|4.464896|5.124487|6.841210|7.931001|13.739371|36.858105| |2.673543|4.436439|3.293122|4.172953|5.048231|5.459882|7.901306|6.872870|7.944419|13.754930|36.858105| |3.240624|5.694247|4.304458|5.908970|7.615804|7.269206|13.690419|7.939940|6.883798|7.939358|13.749995|36.858105| |3.804212|7.137213|7.456487|12.779926|7.205469|7.019883|5.760382|4.271679|3.506133|3.459537|4.112567|5.545765|36.858105| |3.446323|6.040614|6.064266|7.628070|5.182576|5.678267|4.354331|3.615298|3.052029|2.951217|3.307805|4.065997|12.532418|53.358707| |3.778643|6.522958|6.899079|7.350572|4.896845|5.715238|3.916969|3.306939|2.776557|2.651977|2.932099|3.581115|9.386427|25.694916|0.500000| |3.314242|5.699875|5.136830|6.280188|5.051448|5.629535|4.492425|4.004273|3.364711|3.134558|3.346642|3.975273|7.570262|17.185739|0.257454|36.858105| |2.966689|4.762700|4.112736|4.437197|3.754634|4.546366|3.376515|3.172821|2.760211|2.565621|2.665661|3.032065|4.955793|10.366962|0.202204|12.631018|36.858105| |3.209817|4.960311|4.236111|4.159719|3.521461|4.506058|3.047488|2.881259|2.485118|2.287670|2.364988|2.698978|4.296326|8.249613|0.190347|7.580307|13.676280|36.858105| |2.733522|4.030396|3.307240|3.203996|2.817348|3.691174|2.508432|2.421374|2.144199|1.986709|2.031469|2.262668|3.298505|5.873686|0.131952|5.029441|7.909898|13.776025|36.858105| |2.309890|3.408221|2.764229|2.768971|2.484577|3.213396|2.290526|2.237120|2.029809|1.900379|1.930507|2.106355|2.928126|5.125594|0.108774|4.440923|6.848717|7.938151|13.725498|36.858105| |2.214000|3.341029|2.727245|2.843739|2.561008|3.226987|2.419376|2.365099|2.171120|2.049901|2.082335|2.251743|3.108412|5.521131|0.110668|5.020370|7.910232|6.875760|7.938521|13.767733|36.858105| |2.445900|3.817612|3.184476|3.452477|3.056781|3.730865|2.892736|2.787978|2.527327|2.386078|2.447262|2.681846|3.904850|7.365313|0.139183|7.564683|13.724698|7.940624|6.876798|7.938986|13.733752|36.858105| |2.750461|4.540338|4.248075|4.986800|3.800917|4.328293|3.444486|2.947157|2.620466|2.620009|2.945727|3.436365|7.616986|17.215927|0.258977|7.587416|6.201212|4.932552|3.906002|3.644649|4.064678|5.278530|36.858105| |2.650595|4.210376|3.928787|4.182477|3.223062|3.860693|2.856593|2.478158|2.214911|2.208091|2.459413|2.837072|5.591093|10.432566|0.221583|5.204960|4.956505|4.543445|3.821700|3.509634|3.680192|4.320522|12.522897|36.858105| |2.655539|4.132555|3.797808|3.869322|3.039175|3.733961|2.672895|2.370292|2.112804|2.073383|2.263573|2.590071|4.784403|9.313574|0.218101|5.184555|5.529499|5.397970|4.626784|4.158843|4.207169|4.772841|8.906692|17.515470|0.500000| |2.204533|3.411186|3.033194|3.227470|2.635006|3.196005|2.425525|2.139976|1.964435|1.991734|2.212635|2.473809|4.121978|6.743409|0.135866|3.864216|3.783922|3.474774|3.129471|3.029881|3.219862|3.606654|7.537516|12.529838|0.248894|36.858105| |2.122480|3.200879|2.809059|2.864568|2.368493|2.950286|2.157336|1.919286|1.761686|1.775986|1.957060|2.180885|3.445747|5.412176|0.115544|3.203506|3.221730|3.134682|2.918309|2.792964|2.847766|3.052448|5.160674|8.232438|0.207049|13.687510|73.516695| |1.845107|2.744329|2.344104|2.396724|2.043018|2.564403|1.897595|1.707519|1.590677|1.616014|1.772301|1.938834|2.816404|4.255315|0.088826|2.637639|2.657683|2.579343|2.461250|2.412932|2.471767|2.594843|3.910663|5.245902|0.135843|8.075980|24.104691|36.858105| |1.770538|2.581835|2.175932|2.170789|1.870687|2.391325|1.726879|1.564181|1.456066|1.471057|1.602282|1.750237|2.462604|3.656025|0.077987|2.305581|2.344012|2.343143|2.274633|2.208924|2.206005|2.270817|3.159088|4.109758|0.112023|5.256508|14.460412|12.997222|36.858105| |1.691003|2.429653|2.021514|1.989012|1.732983|2.243031|1.597697|1.455794|1.356553|1.366074|1.479853|1.611788|2.204437|3.231593|0.069464|2.069113|2.111590|2.143708|2.104349|2.035311|2.004929|2.040817|2.696229|3.393245|0.094377|4.017515|9.966779|7.187000|16.073991|36.858105| |2.977137|4.759326|4.618458|4.732549|3.504394|4.234033|2.995370|2.535507|2.235683|2.230095|2.520218|2.977026|6.162606|9.591061|0.223888|4.602955|4.151631|4.024507|3.367850|2.996337|3.041562|3.504986|8.149581|13.634899|0.258873|7.923916|12.506200|4.749876|4.010193|3.412641|73.516695| |6.396267|11.043475|14.205914|7.811322|5.428426|7.461652|3.860731|3.240951|2.649164|2.482859|2.727292|3.388958|6.170291|8.028716|0.213080|4.740511|4.135956|4.541082|3.590878|2.924454|2.805187|3.196694|4.367540|4.421925|0.122694|3.322164|5.644578|2.590071|2.435146|2.268708|9.735060|73.516695| |5.484378|8.170074|8.021937|5.586909|4.281878|5.976303|3.253616|2.753968|2.321771|2.222646|2.458881|2.992959|4.868065|6.144825|0.152531|3.630427|3.272924|3.545540|2.990105|2.512491|2.407699|2.672795|3.751710|4.051634|0.110412|3.205266|5.692893|2.644686|2.551002|2.410521|9.504014|24.375392|36.858105| |4.373163|5.988946|5.316144|4.102000|3.319643|4.647372|2.661110|2.331197|2.009997|1.928075|2.100403|2.476528|3.825682|5.229794|0.130276|3.190412|3.052093|3.419841|3.013340|2.523533|2.362656|2.545905|3.392557|3.884854|0.110731|3.160524|5.899270|2.746785|2.738046|2.636580|8.843058|14.449092|13.773801|36.858105| |3.594021|4.792640|4.012255|3.305739|2.792190|3.908317|2.318946|2.049322|1.800652|1.747575|1.904222|2.206787|3.154537|4.228954|0.100164|2.625852|2.524223|2.763946|2.514894|2.172362|2.048486|2.178037|2.877084|3.316478|0.092905|2.868182|5.525778|2.666570|2.749732|2.719438|7.427396|9.358220|7.992468|13.776503|36.858105| |3.458256|4.643812|3.802473|3.221023|2.775711|3.879924|2.329963|2.040220|1.803252|1.768823|1.946253|2.255494|3.060860|3.915014|0.089596|2.429279|2.279638|2.424124|2.195109|1.932288|1.855184|1.988698|2.682129|3.010415|0.081470|2.668983|5.068043|2.505147|2.568488|2.539936|6.771681|8.171162|6.908681|7.920855|13.724220|36.858105| |3.942960|5.477445|4.514056|3.814325|3.273823|4.565777|2.700378|2.308666|2.020197|1.989449|2.222312|2.626611|3.527737|4.265991|0.096164|2.612704|2.372203|2.473244|2.190619|1.930865|1.880001|2.051099|2.853661|3.090321|0.081478|2.698042|4.938321|2.427565|2.412219|2.335584|7.063051|9.206110|8.001415|6.877164|7.958758|13.778611|36.858105| |5.057784|7.543854|6.714608|5.243258|4.248675|5.910285|3.299459|2.742615|2.334983|2.273844|2.559880|3.130814|4.569255|5.307360|0.121913|3.169956|2.794501|2.909171|2.495321|2.164005|2.113674|2.349721|3.357490|3.535149|0.092683|2.937507|5.197605|2.486835|2.402724|2.280489|8.250069|13.919650|13.805903|7.897862|6.858141|7.904601|13.712865|36.858105| |17.617145|12.414524|6.172718|4.619290|4.840310|9.121105|3.674209|3.303967|2.700155|2.456862|2.597054|3.121620|3.457738|4.167762|0.091912|2.889716|2.587049|2.751743|2.388355|2.057357|1.985383|2.180434|2.520528|2.454659|0.067502|2.080908|3.591252|1.774846|1.714626|1.646655|4.959360|9.569639|5.196156|4.164784|3.606966|3.635889|4.267586|5.302821|0.500000| |17.658973|12.585604|5.843487|4.551228|5.022462|10.047329|3.850828|3.690868|2.942285|2.564322|2.614953|3.099899|3.387937|4.271667|0.093683|3.156708|2.868561|3.102146|2.678943|2.278980|2.181790|2.393026|2.529315|2.407372|0.067483|2.026483|3.455023|1.704797|1.635019|1.564118|4.673376|8.816244|4.238437|3.587062|3.027844|2.905654|3.226874|3.935589|0.299819|0.500000| |17.655055|12.512060|7.146229|4.807066|4.558927|7.913198|3.406968|3.102041|2.534664|2.293053|2.406489|2.876502|3.662802|4.729031|0.109605|3.301696|3.056413|3.433002|2.949249|2.443337|2.295904|2.503863|2.796461|2.770113|0.078537|2.287231|3.969694|1.927934|1.865567|1.789186|5.561202|12.916118|6.299587|5.261568|4.144337|3.794268|4.142795|5.257561|0.299573|0.299542|0.500000| |3.912715|6.548232|4.219758|4.870054|7.104772|9.286935|8.920651|17.734684|8.916031|5.642608|4.953341|5.649737|3.934806|4.745061|0.090929|3.967753|3.245339|3.022273|2.544605|2.324729|2.421947|2.822308|2.809513|2.401032|0.064942|2.060765|3.317774|1.657067|1.528895|1.429496|4.359131|5.881174|2.771642|2.364789|2.063701|2.031705|2.275860|2.705825|0.097700|0.116930|0.093347|0.500000| |2.630440|4.127045|2.840557|3.276174|4.124666|5.163768|5.637644|8.935095|17.724523|8.911544|5.648548|4.958185|2.991709|3.677202|0.069177|3.021622|2.569342|2.337905|2.051503|1.957484|2.087366|2.391059|2.351824|2.015186|0.053999|1.802319|2.894552|1.479335|1.361324|1.273627|3.588796|4.245531|2.105841|1.851756|1.667297|1.662344|1.840695|2.102109|0.069062|0.076692|0.065398|0.215328|0.500000| |2.237551|3.528397|2.544479|3.010273|3.566507|4.242535|4.936068|5.643688|8.909210|17.724983|8.915452|5.646364|2.940718|3.511423|0.064866|2.737814|2.305173|2.063942|1.821825|1.763065|1.905540|2.188371|2.351322|2.006150|0.052506|1.840230|2.930528|1.516063|1.383318|1.287746|3.575965|3.875943|1.978222|1.741379|1.594160|1.615165|1.799885|2.024269|0.060271|0.062722|0.056496|0.124108|0.214801|0.500000| |2.390074|3.884571|2.926051|3.620849|4.110593|4.590264|5.631930|4.952438|5.646871|8.912407|17.721970|8.924115|3.718920|4.126529|0.074895|2.995744|2.435480|2.165878|1.883116|1.805143|1.950810|2.271707|2.805962|2.370233|0.060106|2.179210|3.428825|1.766029|1.593468|1.470486|4.314970|4.430320|2.296094|1.982191|1.820874|1.875400|2.135227|2.415456|0.065238|0.064468|0.060538|0.107540|0.124131|0.214795|0.500000| |3.228845|5.684883|4.505342|6.261471|7.017361|6.809766|8.889295|5.641058|4.957281|5.652182|8.937529|17.701542|6.259246|5.823475|0.104820|3.891900|2.976925|2.667763|2.237109|2.075841|2.209550|2.623142|3.686394|3.071736|0.076232|2.681531|4.194320|2.090199|1.879434|1.723961|5.883553|6.389445|3.250122|2.652426|2.376360|2.462219|2.918798|3.495690|0.087708|0.083396|0.080571|0.124093|0.107609|0.124298|0.216051|0.500000| |3.318240|6.021562|5.566057|8.927794|6.795870|6.411397|6.475968|4.702483|3.963247|4.050124|5.014561|6.857083|17.649025|12.357737|0.182793|7.078143|4.596180|3.815016|3.011829|2.764291|3.017249|3.830866|6.875851|4.799787|0.114281|3.819800|5.587543|2.645990|2.296033|2.054121|8.751836|8.206450|3.845222|3.148328|2.690787|2.650715|3.031825|3.748495|0.085096|0.084630|0.087280|0.114540|0.091797|0.094307|0.125245|0.214531|0.500000| |3.552354|6.346240|6.551893|8.870328|5.657884|6.012690|4.675028|3.567977|3.035173|3.069488|3.685995|4.793274|17.665936|12.478720|0.224585|5.605545|4.167118|3.762410|3.005511|2.689383|2.821371|3.423312|7.446156|6.175103|0.137885|4.593067|6.869226|3.120891|2.714225|2.412148|13.807448|10.735608|5.283174|4.121599|3.459900|3.421294|4.007639|5.176533|0.092538|0.086391|0.096574|0.091626|0.072894|0.073998|0.096331|0.159851|0.300545|0.500000| |3.874584|6.940808|6.068663|7.517728|6.364151|7.023182|5.372947|4.825825|3.821346|3.409923|3.581229|4.369018|7.379847|12.429793|0.218906|17.667453|8.861600|6.890034|4.656666|3.984473|4.275323|5.811080|5.600348|4.268039|0.118442|3.269652|5.005758|2.356117|2.104025|1.915233|7.236689|9.156555|3.790557|3.246099|2.649364|2.463797|2.683686|3.313725|0.091368|0.103825|0.104830|0.137354|0.094632|0.081109|0.086476|0.114938|0.188642|0.147399|0.500000| |2.911852|4.934836|4.264026|5.398253|4.681423|5.107424|4.576138|4.139723|3.612229|3.439265|3.670466|4.229365|6.795450|12.400528|0.181633|17.627221|8.822578|5.579634|4.174862|3.966636|4.744544|7.235791|7.134460|4.679176|0.124408|3.717289|5.374263|2.548634|2.204653|1.972250|7.244783|6.871384|3.120143|2.759144|2.339014|2.205379|2.381211|2.832417|0.072129|0.077924|0.079236|0.109962|0.089565|0.083669|0.091515|0.113076|0.207862|0.143481|0.302202|0.500000| |3.868327|5.997421|5.216577|4.774232|3.944810|5.183067|3.250419|3.027332|2.550636|2.329041|2.422880|2.820597|4.619625|8.444659|0.213929|7.012689|8.867097|17.676077|8.946244|5.649171|4.950587|5.636985|4.685790|4.441848|0.143058|3.336106|5.465193|2.517859|2.320143|2.140474|7.521080|10.326930|4.254098|4.049724|3.143982|2.716494|2.782612|3.351351|0.089565|0.102241|0.117965|0.089215|0.066211|0.057865|0.061239|0.077828|0.109304|0.112207|0.199142|0.140723|0.500000| |2.750910|3.925181|3.162703|2.961911|2.629810|3.534379|2.322238|2.247591|1.991062|1.842267|1.880588|2.092381|2.968031|5.048094|0.115855|4.101628|5.635105|8.933416|17.730396|8.905473|5.646807|4.955037|3.360710|3.413771|0.114011|2.845147|4.874171|2.335857|2.209425|2.075439|5.556977|6.243802|2.983040|3.093525|2.588758|2.227711|2.189944|2.468667|0.066791|0.075093|0.084148|0.066070|0.053167|0.047069|0.048542|0.057638|0.074790|0.076458|0.109959|0.096092|0.216307|0.500000| |2.097480|3.036459|2.425396|2.407050|2.189718|2.866458|2.033911|2.000037|1.834547|1.723751|1.743411|1.883650|2.520684|4.250779|0.090339|3.551436|4.940428|5.648319|8.910305|17.730817|8.922458|5.646490|3.074835|3.038857|0.098843|2.716452|4.559951|2.264946|2.106608|1.962848|4.693656|4.576100|2.264722|2.308450|2.022049|1.800696|1.782789|1.968769|0.052385|0.057754|0.061768|0.057771|0.049522|0.044788|0.045561|0.051623|0.066485|0.065317|0.090697|0.090332|0.124311|0.214809|0.500000| |1.973528|2.953313|2.381496|2.495970|2.284873|2.884142|2.200615|2.169516|2.030148|1.934570|1.954254|2.077682|2.731844|4.663279|0.092280|4.094765|5.637699|4.954562|5.644532|8.916906|17.730993|8.921123|3.545833|3.240136|0.100317|2.969731|4.694848|2.352673|2.101521|1.914563|4.791708|4.324742|2.131811|2.098796|1.851888|1.693053|1.712938|1.902432|0.049719|0.054222|0.056501|0.061323|0.054634|0.050534|0.051305|0.056581|0.075012|0.069798|0.098808|0.112938|0.107504|0.124112|0.214908|0.500000| |2.283703|3.588763|2.973161|3.326851|2.997799|3.592229|2.939238|2.842237|2.633011|2.524512|2.588001|2.786086|3.859919|6.958679|0.124458|6.994456|8.897471|5.639507|4.952586|5.650963|8.928738|17.697416|5.259326|4.093501|0.118837|3.556300|5.231070|2.545871|2.200707|1.968639|5.901365|5.185549|2.478104|2.335026|2.027013|1.880898|1.956463|2.229860|0.057221|0.062135|0.063984|0.078361|0.069056|0.064704|0.067139|0.075340|0.110218|0.093983|0.149135|0.221381|0.123786|0.107536|0.124280|0.215916|0.500000| |2.506053|4.054417|3.633256|4.187303|3.393006|3.926531|3.175848|2.818537|2.550277|2.537836|2.784506|3.145844|5.761642|12.277354|0.197004|7.720636|7.132674|5.190195|4.214110|4.140180|4.929081|6.771136|17.674907|8.865553|0.218888|6.700533|8.308122|3.698482|2.987129|2.558679|10.338781|6.575873|3.183771|2.954392|2.538697|2.357747|2.473262|2.854472|0.063605|0.065290|0.070788|0.075228|0.064450|0.063991|0.073714|0.090903|0.156336|0.148701|0.150464|0.218316|0.127472|0.097494|0.095427|0.119331|0.195880|0.500000| |2.610031|4.323957|3.970939|4.854749|3.796704|4.235503|3.568345|2.995436|2.706899|2.784963|3.221279|3.745548|7.786268|12.359313|0.188734|6.110642|4.812041|3.922185|3.217299|3.058689|3.419825|4.316365|17.633117|8.814612|0.173880|6.965499|8.493526|3.808309|3.050242|2.601616|12.660017|6.979750|3.493695|3.107639|2.708387|2.602147|2.819604|3.283791|0.067607|0.066686|0.072426|0.077377|0.066726|0.069470|0.086883|0.114949|0.219720|0.227759|0.135410|0.177026|0.105642|0.078642|0.073469|0.085754|0.125702|0.301131|0.500000| |2.043362|3.140923|2.737057|2.926464|2.449007|2.978972|2.294300|2.060824|1.911490|1.935403|2.121970|2.332623|3.668628|6.136244|0.120880|3.782899|3.860326|3.470409|3.207965|3.230265|3.527272|3.893508|6.784413|8.810289|0.215620|17.504763|16.485566|7.137743|4.756064|3.703364|10.127033|5.239369|2.793632|2.766654|2.515148|2.337019|2.355475|2.558434|0.053369|0.052877|0.058736|0.055296|0.049091|0.050034|0.058073|0.069024|0.097367|0.108186|0.087736|0.103450|0.089485|0.079882|0.080720|0.092089|0.108312|0.196244|0.171292|0.500000| |2.142674|3.336735|2.948689|3.211507|2.646556|3.174136|2.475921|2.162833|2.002559|2.063660|2.327004|2.590629|4.175471|6.322762|0.122516|3.615689|3.380898|3.059418|2.735866|2.657118|2.852651|3.230957|6.907076|8.847880|0.174379|17.504314|16.530827|7.238219|4.805232|3.734506|12.623778|5.584592|3.071270|2.955106|2.728223|2.617777|2.698839|2.919579|0.056781|0.054666|0.060927|0.057099|0.050726|0.053066|0.064558|0.079296|0.110766|0.133524|0.086339|0.099596|0.082621|0.069463|0.066583|0.074041|0.091008|0.165362|0.209908|0.299407|0.500000| |1.734799|2.575822|2.178648|2.242070|1.934178|2.427278|1.815747|1.651555|1.548821|1.572269|1.710026|1.851756|2.626564|4.031855|0.083095|2.575968|2.647190|2.546290|2.471660|2.483084|2.571080|2.658859|3.729097|4.749997|0.127501|7.213931|16.530920|17.543850|9.080430|5.989262|7.221999|4.228806|2.382257|2.462875|2.368824|2.219281|2.160707|2.230716|0.046160|0.044940|0.050227|0.044600|0.040215|0.041174|0.047337|0.054870|0.069564|0.078898|0.063485|0.069896|0.067771|0.064739|0.065249|0.069028|0.072958|0.102499|0.100111|0.212767|0.175672|0.500000| |1.801625|2.693073|2.292882|2.376378|2.037669|2.541284|1.911411|1.710742|1.603215|1.645902|1.820234|1.982863|2.813678|4.113505|0.084206|2.538076|2.491882|2.383492|2.246562|2.203182|2.283455|2.430738|3.780994|4.796832|0.117992|7.269959|16.521769|17.539716|9.080879|5.990972|8.038152|4.426604|2.558162|2.601717|2.549362|2.459313|2.422309|2.467051|0.048494|0.046206|0.051782|0.045742|0.041274|0.042989|0.050874|0.059919|0.074473|0.087853|0.063336|0.069125|0.064998|0.059071|0.057312|0.060659|0.067313|0.098009|0.107252|0.174580|0.218430|0.301165|0.500000| |1.614213|2.292461|1.885684|1.839316|1.618496|2.114464|1.492808|1.367402|1.276119|1.282137|1.382559|1.501151|2.004529|2.911097|0.062746|1.887371|1.929625|1.977084|1.955808|1.888215|1.844470|1.863847|2.373788|2.910051|0.081689|3.305879|7.702532|5.137207|8.493614|18.010458|5.274967|3.757945|2.263545|2.501495|2.630782|2.464052|2.234991|2.151966|0.043863|0.041577|0.047541|0.037423|0.033399|0.033649|0.038143|0.044439|0.051958|0.060514|0.049034|0.049932|0.055133|0.054156|0.051003|0.049049|0.049844|0.062807|0.063684|0.085696|0.086302|0.126189|0.126204|0.500000| |2.787386|4.301185|4.022892|3.954073|3.056907|3.801563|2.637510|2.269539|2.020480|2.016018|2.257771|2.623795|4.765510|7.175500|0.167898|3.804779|3.590428|3.600588|3.139712|2.808944|2.798908|3.115281|5.987747|9.863029|0.225877|7.573623|14.745600|5.390783|4.720526|3.998756|35.594173|8.693714|5.161333|5.216660|4.589453|4.110415|4.085976|4.508459|0.073460|0.068434|0.082430|0.061372|0.051133|0.050969|0.060831|0.080549|0.110302|0.160923|0.095570|0.094774|0.105190|0.082844|0.070059|0.069689|0.081658|0.131378|0.150528|0.150439|0.184449|0.121989|0.138831|0.095343|0.500000| |4.135984|5.625270|4.938640|3.872968|3.155605|4.410622|2.553921|2.276477|1.966093|1.871288|2.014335|2.353023|3.661666|5.318159|0.135876|3.326792|3.315936|3.886018|3.470357|2.829655|2.583726|2.744238|3.449360|3.995741|0.120020|3.209711|6.015040|2.775125|2.769699|2.667133|8.588900|13.387481|8.948889|17.734700|8.867634|5.625217|4.955766|5.642361|0.105310|0.097403|0.141603|0.064823|0.050686|0.047082|0.052629|0.068926|0.084271|0.106062|0.093321|0.078677|0.130213|0.101281|0.071857|0.063103|0.068590|0.085060|0.085323|0.079271|0.081187|0.070009|0.071571|0.070261|0.140272|0.500000| |3.108086|4.093465|3.353972|2.837767|2.441407|3.413683|2.068651|1.856733|1.648336|1.600038|1.728257|1.973813|2.750225|3.781309|0.088770|2.397761|2.361041|2.607520|2.437095|2.120096|1.979771|2.069281|2.629675|3.063689|0.087576|2.719635|5.366153|2.635288|2.795811|2.832057|6.583756|7.575359|5.674779|8.952675|17.727042|8.903403|5.654060|4.945054|0.086079|0.074902|0.099446|0.052120|0.042731|0.040840|0.046081|0.058518|0.066328|0.082698|0.066663|0.059688|0.081170|0.070631|0.055492|0.049993|0.053359|0.065643|0.068467|0.067063|0.071150|0.065309|0.069150|0.077522|0.115092|0.214132|0.500000| |2.955025|3.931374|3.140690|2.744167|2.422304|3.380660|2.082938|1.844987|1.652101|1.629524|1.785289|2.037025|2.642142|3.400371|0.076449|2.145300|2.031077|2.147442|1.975696|1.762675|1.695274|1.801224|2.377616|2.662943|0.072131|2.435418|4.677626|2.375586|2.482625|2.501324|5.812539|6.489720|4.972008|5.639756|8.899817|17.736548|8.919855|5.631832|0.086994|0.070746|0.088736|0.050952|0.042544|0.041667|0.048170|0.061550|0.064971|0.081511|0.060166|0.054786|0.065815|0.055825|0.046041|0.043356|0.047586|0.058828|0.064631|0.059773|0.066799|0.058563|0.065166|0.068527|0.098810|0.123734|0.214415|0.500000| |3.531029|4.909069|3.903354|3.459305|3.079277|4.277912|2.611055|2.235556|1.979949|1.971196|2.212989|2.590122|3.222971|3.830249|0.083960|2.380763|2.150519|2.208715|1.969623|1.760571|1.729189|1.885501|2.599092|2.763020|0.072139|2.475156|4.499709|2.261095|2.245481|2.181037|6.147713|7.434583|5.682111|4.954999|5.652596|8.923869|17.727801|8.944281|0.108898|0.082155|0.099394|0.060665|0.050093|0.049769|0.059659|0.080541|0.079179|0.101521|0.067956|0.061349|0.068003|0.054461|0.045351|0.044131|0.050492|0.063109|0.072771|0.060491|0.069988|0.056140|0.063606|0.058240|0.098033|0.107587|0.124176|0.214868|0.500000| 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