Version2.0 2020-02-04T17:45:29Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 21-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+]1CCC2=c3ccccc3=[NH+][C@H]2[C@@H]1c4c([nH]c(=O)n(c4=O)CCc5ccc(c(c5)OC)OC)[O-] C63384280 RHF 6-31G(d) (6D,7F) CC[NH+]1CCC2=c3ccccc3=[NH+][C@H]2[C@@H]1c4c([nH]c(=O)n(c4=O)CCc5ccc(c(c5)OC)OC)[O-] C01[X(C27H31N4O5)] 195 C1 602 COc1cc(ccc1OC)CCn1c(=O)[nH]c(c(c1=O)[C@@H]1[NH+](CC)CCC2=c3c(=[NH+][C@@H]12)cccc3)[O-] COc1cc(ccc1OC)CCn1c(=O)[nH]c(c(c1=O)[C@@H]1[NH+](CC)CCC2=c3c(=[NH+][C@@H]12)cccc3)[O-] CC[NH+]1CCC2=C3C=CC=CC3=[NH+][C@H]2[C@@H]1C4=C([O-])NC(=O)N(CCc5ccc(OC)c(OC)c5)C4=O InChIKey=URQWRLXLHAFLBS-RPWUZVMVSA-O InChI=1S/C27H30N4O5/c1-4-30-13-12-18-17-7-5-6-8-19(17)28-23(18)24(30)22-25(32)29-27(34)31(26(22)33)14-11-16-9-10-20(35-2)21(15-16)36-3/h5-10,15,23-24,32H,4,11-14H2,1-3H3,(H,29,34)/p+1/t23-,24+/m1/s1 InChI=1/C27H30N4O5/c1-4-30-13-12-18-17-7-5-6-8-19(17)28-23(18)24(30)22-25(32)29-27(34)31(26(22)33)14-11-16-9-10-20(35-2)21(15-16)36-3/h5-10,15,23-24,32H,4,11-14H2,1-3H3,(H,29,34)/p+1/t23-,24+/m1/s1/fC27H31N4O5/h32h,28-30H/q+1 CC[NH+]1CCC2=c3ccccc3=[NH+][C@H]2[C@@H]1c4c([nH]c(=O)n(c4=O)CCc5ccc(c(c5)OC)OC)[O-] C01[X(C27H31N4O5)] 195 C01 602 COc1cc(ccc1OC)CCn1c(=O)[nH]c(c(c1=O)[C@@H]1[NH+](CC)CCC2=c3c(=[NH+][C@@H]12)cccc3)[O-] CC[NH]1CCC2=C3[C@H](N[C@H]2[C@@H]1[C@@H]1[C@H](O)NC(=O)N([C@H]1O)CCc1ccc(c(c1)OC)OC)C=CC=C3 CC[NH]1CCC2=C3C=CC=C[C@H]3N[C@H]2[C@@H]1[C@@H]4[C@H](O)NC(=O)N(CCc5ccc(OC)c(OC)c5)[C@H]4O InChIKey=QOWWECSVKMUVQI-YBYLWCFMSA-N InChI=1S/C27H37N4O5/c1-4-30-13-12-18-17-7-5-6-8-19(17)28-23(18)24(30)22-25(32)29-27(34)31(26(22)33)14-11-16-9-10-20(35-2)21(15-16)36-3/h5-10,15,19,22-26,28,30,32-33H,4,11-14H2,1-3H3,(H,29,34)/t19-,22-,23-,24+,25+,26+/m1/s1 InChI=1/C27H37N4O5/c1-4-30-13-12-18-17-7-5-6-8-19(17)28-23(18)24(30)22-25(32)29-27(34)31(26(22)33)14-11-16-9-10-20(35-2)21(15-16)36-3/h5-10,15,19,22-26,28,30,32-33H,4,11-14H2,1-3H3,(H,29,34)/t19-,22-,23-,24+,25+,26+/m1/s1/f/h29H 3852.2701661344 -1632.4179092 1-A 25590.1724 130 472 602 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.63089 -20.62589 -20.62515 -20.61442 -20.61093 -15.81568 -15.76894 -15.69391 -15.68918 -11.48612 -11.47373 -11.45389 -11.44951 -11.44866 -11.44615 -11.44296 -11.44140 -11.42040 -11.41426 -11.41423 -11.41399 -11.40559 -11.38936 -11.38892 -11.34901 -11.34128 -11.33762 -11.32899 -11.32800 -11.31747 -11.30569 -11.28805 -11.28376 -11.27646 -11.27367 -11.27186 -1.51474 -1.49138 -1.48285 -1.47307 -1.47179 -1.45706 -1.44647 -1.35716 -1.31265 -1.30872 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3256.0925 3266.8960 3268.9999 3269.7133 3277.2131 3285.6261 3297.4450 3304.2833 3308.1224 3314.5481 3328.6699 3333.2947 3349.7119 3355.5416 3364.8233 3367.8981 3372.1355 3384.5541 3391.8256 3398.7884 3408.0072 3413.8684 3418.1057 3671.9113 3853.9607 4.4270 5.5566 4.8570 5.1356 4.4108 3.8460 4.7921 5.0216 3.5376 3.5888 3.3101 4.6952 6.7588 3.7340 3.6838 6.7158 3.8402 4.0699 4.0361 3.6127 3.5873 3.9452 2.0645 2.5334 1.6338 2.4875 1.2172 3.2158 1.7303 3.7135 4.7191 2.6048 4.8611 4.0287 3.1830 3.2919 3.9971 4.8267 5.8437 4.8111 5.9674 5.3447 3.6023 4.1448 3.5054 2.8165 7.0429 4.1657 6.4132 3.5708 4.5744 4.9207 3.9278 5.0017 1.1473 5.0192 2.5916 3.7244 2.4440 2.3183 5.0910 4.5687 3.2099 2.0205 6.6073 4.1372 2.9394 3.6488 1.8969 1.4742 3.0266 7.3417 1.7434 1.4511 1.8745 2.3283 2.8960 1.5155 3.5753 3.3306 3.0368 2.7301 2.6046 1.4359 2.7760 3.1832 1.3126 2.5292 3.7291 3.2042 2.1949 1.3902 5.3602 2.5137 2.7094 4.4374 2.5826 1.8635 2.1291 2.0767 2.2272 1.6198 2.1182 1.2562 1.2680 1.2685 2.4597 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1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 1.00783 12.00000 1.00783 12.00000 12.00000 14.00307 1.00783 12.00000 15.99491 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 15.99491 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 7768.7452 41073.5837 44737.0572 0.99999 0.00353 -0.00183 -0.00358 0.99971 -0.02391 0.00175 0.02392 0.99971 1 0.01115 0.00211 0.00194 0.23231 0.04394 0.04034 15.46 20.20 23.80 60.43 66.51 72.05 85.05 91.74 104.19 118.55 121.39 137.02 172.88 179.20 198.77 224.24 250.95 267.14 282.37 297.60 322.55 344.21 346.10 349.08 382.69 388.69 406.17 429.32 446.25 470.10 507.34 532.55 555.99 582.09 586.43 601.78 635.61 642.87 661.26 698.53 707.12 732.70 736.89 745.83 747.52 782.95 802.24 829.48 845.36 880.20 888.79 897.99 940.36 989.32 992.78 1018.35 1034.76 1045.91 1103.66 1114.34 1133.02 1151.65 1172.89 1193.63 1201.70 1215.18 1215.60 1229.59 1231.80 1239.53 1245.80 1271.56 1323.40 1343.57 1369.41 1379.66 1399.74 1408.84 1444.18 1473.76 1492.45 1503.96 1506.28 1517.92 1547.05 1605.16 1612.63 1617.99 1629.52 1631.00 1660.87 1666.03 1674.69 1709.92 1715.46 1721.73 1748.17 1767.08 1774.69 1787.37 1816.50 1823.99 1852.82 1861.61 1861.85 1864.07 1875.83 1887.40 1896.60 1917.37 1921.37 1932.01 1950.41 1966.27 1994.86 2016.23 2021.47 2046.42 2065.10 2067.21 2085.96 2094.26 2095.34 2127.94 2132.05 2149.14 2157.49 2179.12 2199.05 2209.54 2215.54 2227.76 2235.21 2273.64 2280.39 2282.45 2293.21 2307.39 2320.04 2332.22 2347.23 2351.07 2354.38 2357.30 2357.62 2367.31 2371.96 2375.82 2376.07 2377.64 2385.12 2387.84 2388.85 2393.52 2402.83 2457.16 2523.75 2549.44 2571.85 2578.86 2611.26 2657.30 2680.97 2862.10 4601.51 4614.09 4622.41 4644.06 4645.17 4658.47 4684.79 4700.33 4703.36 4704.39 4715.18 4727.28 4744.29 4754.13 4759.65 4768.90 4789.21 4795.87 4819.49 4827.88 4841.23 4845.65 4851.75 4869.62 4880.08 4890.10 4903.36 4911.80 4917.89 5283.06 5544.99 0.601686 0.632043 0.632987 0.536549 -1631.816224 -1631.785866 -1631.784922 -1631.881360 3.234546D-04 MUNgauss RevisionA2.0 retrievium 04-Feb-2020 DUDE CC[NH+]1CCC2=c3ccccc3=[NH+][C@H]2[C@@H]1c4c([nH]c(=O)n(c4=O)CCc5ccc(c(c5)OC)OC)[O-] C63384280 RHF 6-31G(d) (6D,10F) C1 491.229445 |X|Y|Z| 144.839914 57.311587 36.422239 67.116986 27 6 7 23 4 |36.858105| |12.519856|36.858105| |7.552056|12.587495|53.358707| |7.408156|9.316312|25.245545|0.500000| |6.096789|7.725639|17.384010|0.252188|36.858105| |4.228276|4.932839|10.233671|0.189066|12.408315|36.858105| |3.604775|4.459374|9.012243|0.162431|7.834821|12.804226|36.858105| |2.938323|3.554359|6.356755|0.116078|5.342198|7.287962|14.141690|36.858105| |2.539276|2.948309|4.933684|0.091571|4.295058|5.614682|7.410279|13.168279|36.858105| |2.206149|2.544419|4.085449|0.076527|3.376644|4.059817|5.146066|7.964852|14.236197|36.858105| |2.127880|2.488052|3.948899|0.074150|3.087448|3.552743|4.660717|6.870106|7.837618|13.099721|36.858105| |2.310178|2.766939|4.464358|0.083579|3.340527|3.789690|5.304182|7.615959|6.582018|7.698189|14.107624|36.858105| |2.742610|3.375736|5.809197|0.107211|4.330239|5.117297|8.474914|13.087191|7.599385|6.805284|8.070144|13.393492|36.858105| |3.059328|3.882673|6.902838|0.128658|4.632860|5.172194|8.298756|8.396987|5.274623|4.658385|5.270796|7.734837|14.581469|53.358707| |2.936687|3.733845|6.240413|0.117603|3.994989|4.181052|5.873884|5.900858|4.222695|3.944971|4.632829|6.769308|9.233658|25.693115|0.500000| |3.798035|4.944863|10.340477|0.192244|6.591739|7.562905|12.807724|8.219261|5.075168|4.111350|4.163644|5.208013|8.418430|17.922423|0.246046|36.858105| |3.634602|4.448839|8.983074|0.194053|5.615494|6.681832|9.022380|6.335268|4.344837|3.601130|3.633446|4.416518|6.410429|12.398603|0.199040|17.537636|0.500000| |4.991803|7.637146|17.057984|0.262707|7.484090|6.278771|7.440051|5.446141|3.923546|3.320929|3.374912|4.068136|5.596972|10.523561|0.197236|12.294249|0.245390|36.858105| |4.611197|7.211112|12.313473|0.183190|6.686194|5.459362|6.590999|5.407789|4.000415|3.463168|3.574913|4.326009|5.759952|10.092925|0.198813|8.871466|0.175062|17.606160|0.500000| |4.577454|6.331980|10.424826|0.211691|4.963795|4.396874|4.953575|4.027821|3.097341|2.746975|2.871643|3.467833|4.401867|8.326213|0.181983|7.591681|0.202485|12.718432|0.248221|36.858105| |3.565436|4.659817|6.912053|0.135674|3.802462|3.505225|4.092384|3.640744|2.874181|2.654381|2.888499|3.571408|4.281629|8.060654|0.205390|5.870888|0.153373|7.653107|0.200670|13.485864|36.858105| |3.154746|3.821906|5.398249|0.111448|3.087906|2.884747|3.236149|2.932359|2.408899|2.259241|2.450573|2.945987|3.367046|5.900579|0.143907|4.304029|0.120557|5.123921|0.133291|8.112835|13.871961|53.358707| |2.753292|3.274219|4.555856|0.092715|2.713892|2.562579|2.883975|2.693620|2.256184|2.155908|2.370092|2.840485|3.131336|5.308602|0.131220|3.695649|0.102196|4.214635|0.114643|5.850479|9.339209|25.975911|0.500000| |3.188944|3.651875|5.110970|0.111381|2.926681|2.740880|2.956885|2.633681|2.195563|2.042387|2.169373|2.541946|2.906439|4.938466|0.112952|3.812335|0.112489|4.441615|0.110490|6.819404|7.762959|18.856501|0.262118|36.858105| |2.749609|3.033121|4.162881|0.090275|2.481620|2.346545|2.503117|2.274634|1.940709|1.827235|1.941382|2.241058|2.494910|4.091905|0.092688|3.094273|0.091075|3.476214|0.088946|4.781845|5.407307|11.573851|0.217617|15.976757|73.516695| |3.768484|4.233787|6.116538|0.142817|3.371327|3.136414|3.284766|2.811568|2.319213|2.110060|2.192939|2.545641|2.997352|5.111213|0.111141|4.270012|0.131730|5.053975|0.117310|7.960026|6.814940|11.103113|0.164176|13.772481|14.955598|53.358707| |4.686736|5.642521|8.959987|0.222639|4.451296|4.036073|4.208987|3.409354|2.719114|2.410059|2.472340|2.891011|3.562054|6.276588|0.131415|5.809144|0.180736|7.555776|0.156173|13.484933|7.751643|9.501427|0.142028|7.857582|9.627171|18.813132|36.858105| |5.311931|5.840789|9.888890|0.302718|4.990394|4.534759|4.367081|3.411121|2.750857|2.390165|2.385087|2.720779|3.370151|5.668187|0.112024|5.577391|0.181301|6.715615|0.137911|8.197460|5.302847|6.537177|0.106641|5.383393|7.482119|11.456522|15.377890|73.516695| |3.430239|3.546291|5.023596|0.119772|2.932072|2.769214|2.797909|2.418878|2.051232|1.871506|1.919530|2.175597|2.512559|4.095876|0.086637|3.411222|0.106599|3.817967|0.090865|5.076721|4.462375|7.043106|0.118840|7.799721|12.415103|17.584626|7.717680|12.400603|36.858105| |3.607330|3.523097|4.638047|0.108295|2.744175|2.510577|2.470337|2.150748|1.858361|1.700594|1.730187|1.931228|2.201317|3.496873|0.073584|2.899992|0.086992|3.344978|0.082324|4.215553|3.750747|5.793635|0.101847|5.841169|10.107552|10.390258|5.749232|9.874085|12.449084|36.858105| |3.021318|2.856856|3.802929|0.088021|2.360952|2.205721|2.146334|1.893555|1.667065|1.533315|1.550237|1.706263|1.918432|2.976740|0.061979|2.440013|0.073431|2.702816|0.067461|3.209078|2.915740|4.413035|0.080852|4.159141|7.618427|6.768700|4.105719|7.491940|7.573083|12.592195|36.858105| |2.517450|2.419453|3.215524|0.072563|2.034597|1.920360|1.892436|1.700610|1.512534|1.407372|1.431723|1.570621|1.738343|2.672314|0.056104|2.136317|0.063718|2.332849|0.059342|2.745824|2.598796|4.010125|0.075835|3.719918|7.264317|5.539162|3.339443|5.889065|5.620993|7.569323|13.874328|36.858105| |2.210631|2.102961|2.812696|0.063076|1.823590|1.740125|1.704807|1.544399|1.390218|1.297874|1.314221|1.427879|1.567708|2.375331|0.049501|1.888973|0.056260|2.025359|0.051870|2.315010|2.196131|3.316217|0.063577|2.949047|5.676372|4.343604|2.744559|4.942824|4.148070|5.007438|7.911379|13.633793|36.858105| |2.216860|2.069879|2.787700|0.062963|1.831891|1.756792|1.697339|1.531665|1.385618|1.287376|1.292216|1.394616|1.535663|2.309595|0.047585|1.855119|0.055461|1.971509|0.050275|2.206872|2.056222|3.028749|0.057692|2.639802|4.910243|3.991434|2.619474|4.875095|3.765388|4.415055|6.798002|7.904056|13.854551|36.858105| |2.548916|2.332105|3.156070|0.072595|2.066489|1.974022|1.878556|1.671934|1.504737|1.384166|1.379461|1.489213|1.658707|2.502557|0.051094|2.049082|0.061697|2.185889|0.055055|2.432662|2.206020|3.194251|0.059830|2.786298|5.015069|4.395925|2.953619|5.702359|4.229001|5.012068|7.863929|6.865505|7.934214|13.499811|36.858105| |3.042890|2.778014|3.746020|0.087874|2.382025|2.242865|2.133082|1.871059|1.659906|1.516450|1.514472|1.650155|1.860737|2.850359|0.058318|2.369508|0.071739|2.579606|0.064061|2.938133|2.608091|3.790701|0.069571|3.399425|6.001352|5.626250|3.721780|7.280388|5.798938|7.538268|13.580455|7.984211|6.909328|7.910749|13.850192|36.858105| |2.417230|2.184113|2.978178|0.068287|1.996772|1.924592|1.808172|1.612560|1.465523|1.345466|1.329551|1.422418|1.581077|2.356620|0.047645|1.934333|0.058143|2.035864|0.051426|2.206069|1.991335|2.826317|0.053150|2.399031|4.255645|3.765481|2.626443|5.166874|3.438427|3.856569|5.172180|4.625902|5.302524|8.168022|14.155235|7.895949|73.516695| |2.666551|2.357472|3.241499|0.075162|2.198604|2.120122|1.951183|1.721975|1.565725|1.423939|1.393423|1.485055|1.664073|2.471133|0.049396|2.061080|0.062087|2.162964|0.054261|2.297715|2.032533|2.824391|0.052684|2.363513|4.090114|3.780726|2.738353|5.578789|3.361055|3.677751|4.504809|3.802878|3.994087|5.247953|8.034296|6.739619|24.274944|36.858105| |1.955625|1.826099|2.467191|0.055188|1.650420|1.595562|1.539370|1.401086|1.280446|1.194567|1.195809|1.280977|1.399779|2.082083|0.042751|1.660391|0.049418|1.744278|0.044821|1.918679|1.800063|2.624587|0.050493|2.233763|4.141549|3.322873|2.227164|4.149248|2.999393|3.368640|4.597785|5.186525|7.890467|14.176749|8.165228|5.295948|13.154787|4.801896|73.516695| |1.744378|1.649091|2.222779|0.049150|1.492510|1.446296|1.408201|1.294297|1.188328|1.116769|1.123047|1.201356|1.301285|1.928108|0.039794|1.518047|0.044909|1.590056|0.041222|1.748869|1.668291|2.448413|0.047701|2.065997|3.889005|2.993669|1.995604|3.650633|2.637969|2.919641|3.783153|4.509639|6.736296|8.039533|5.244974|3.989260|8.527759|3.553035|24.208470|36.858105| |3.160434|4.124304|6.102542|0.114421|3.605166|3.385574|4.116497|3.884440|3.073221|2.906762|3.275161|4.187782|4.869254|9.073124|0.260778|5.675823|0.138260|6.742710|0.206540|8.139551|15.549723|11.507754|0.214942|5.380327|7.540765|6.465913|5.305779|7.311236|3.476000|3.026506|2.456621|2.234400|1.928966|1.816684|1.932492|2.234630|3.143316|1.807037|2.869070|1.508696|73.516695| |17.584146|8.960777|7.540579|0.148859|4.667009|3.448489|3.054509|2.581325|2.270563|2.011234|1.957031|2.115789|2.455238|3.697704|0.073814|3.229987|0.085758|4.171060|0.111864|4.010433|3.300223|4.082160|0.073876|3.036706|4.750138|4.726486|4.071702|7.765770|3.204253|3.510243|2.963751|2.505225|2.201216|2.191575|2.488472|2.944642|4.172891|2.549369|3.442842|1.737994|5.255709|0.500000| |17.586438|8.703988|9.036684|0.177430|6.508761|4.453031|3.597737|2.942418|2.598536|2.236105|2.115081|2.255605|2.665769|3.932799|0.075704|3.576102|0.094728|4.404821|0.114815|3.857981|3.087722|3.719549|0.067311|2.742936|4.269539|4.344648|3.901354|7.972643|2.965437|3.072410|2.675104|2.262147|2.027735|2.060319|2.367963|2.756854|4.083592|2.571719|3.279479|1.647575|5.006012|0.303295|0.500000| |17.582598|8.822909|9.413514|0.222559|5.391095|4.061598|3.478830|2.818790|2.424353|2.110669|2.044770|2.229970|2.650857|4.077389|0.080101|3.752702|0.104279|4.780177|0.116625|4.678907|3.574120|4.425965|0.077928|3.423884|5.245134|5.773018|5.276395|11.516207|4.004401|4.280671|3.553169|2.858673|2.486882|2.515242|2.966005|3.648173|4.967822|3.127116|3.888918|1.922106|5.475222|0.302193|0.299590|0.500000| |8.756530|17.611364|12.349033|0.181699|7.420618|4.723169|4.347750|3.601070|3.048110|2.645595|2.575543|2.831307|3.400517|5.138840|0.100747|4.574685|0.109996|6.652734|0.203220|5.246477|4.231907|4.696338|0.084591|3.197876|4.819574|4.804411|4.452360|7.931024|2.989363|2.973889|2.475275|2.147484|1.890698|1.859015|2.065476|2.406740|3.467430|2.093252|2.950720|1.513519|7.097846|0.210063|0.209489|0.172413|0.500000| |8.868801|17.699251|12.426576|0.217842|5.684320|4.140893|4.010992|3.296158|2.723670|2.403814|2.409982|2.725801|3.283592|5.300649|0.108516|4.757980|0.121007|7.654032|0.202549|7.705390|5.648034|6.306094|0.107689|4.388202|6.319314|6.845552|6.646013|10.940626|4.007260|4.010779|3.115219|2.635835|2.245573|2.171342|2.423814|2.926826|3.955116|2.356128|3.369791|1.718002|8.434149|0.217568|0.172505|0.211054|0.302115|0.500000| |6.951565|7.194202|12.416519|0.220233|17.666333|8.842542|5.643789|4.218009|3.630384|2.929874|2.665408|2.823547|3.498808|5.027958|0.091151|4.922967|0.125749|5.532615|0.139419|4.175910|3.270787|3.764859|0.068021|2.693580|4.130304|4.256601|4.001400|8.288141|2.822071|2.712534|2.373712|2.034879|1.837877|1.867100|2.126844|2.441841|3.696618|2.325680|2.999816|1.517085|5.450989|0.142686|0.238049|0.168496|0.187874|0.144503|0.500000| |5.437039|7.200220|12.437284|0.179051|17.605689|8.819005|7.040198|5.403094|4.498490|3.575443|3.255682|3.478813|4.408848|6.162705|0.109844|5.839218|0.131769|6.759518|0.196315|4.520436|3.670315|4.026440|0.073466|2.736839|4.162907|4.139151|3.871931|7.270360|2.630133|2.492901|2.152315|1.883601|1.693269|1.690134|1.881795|2.147686|3.227875|1.976172|2.721637|1.396572|6.451049|0.123549|0.161260|0.127242|0.231390|0.150442|0.301939|0.500000| |4.123667|4.526886|9.162874|0.197008|8.793289|17.537993|8.982554|5.781751|4.640243|3.527648|3.152073|3.373946|4.426783|6.318543|0.106879|6.753454|0.194125|5.577126|0.128417|4.275440|3.366406|3.878704|0.069907|2.787794|4.257542|4.457387|4.210767|8.918552|2.963983|2.653133|2.353550|2.029365|1.844135|1.878951|2.135756|2.431573|3.725123|2.337138|3.029051|1.532232|5.613909|0.092946|0.119881|0.116083|0.114640|0.108231|0.214257|0.173090|0.500000| |3.710356|4.132810|7.523689|0.140123|8.880465|17.609347|8.854651|6.686821|6.059906|4.259641|3.526936|3.570729|4.547866|5.842993|0.098674|5.508214|0.137831|4.746814|0.122893|3.544490|2.961466|3.393770|0.062649|2.373935|3.682819|3.625763|3.287969|6.468814|2.401951|2.215078|1.982214|1.745366|1.599667|1.622498|1.813361|2.028713|3.176187|1.970761|2.646083|1.354730|5.190621|0.086484|0.112442|0.097724|0.114739|0.097082|0.213055|0.215268|0.301930|0.500000| |2.540750|2.873972|4.764438|0.089242|4.350326|5.835027|6.524618|8.692975|17.743456|9.031958|5.572138|4.801083|5.472337|5.815334|0.097901|4.417481|0.108746|3.571765|0.099692|2.842407|2.594088|3.004598|0.057294|2.047013|3.236196|2.975309|2.559010|4.706093|1.964769|1.798568|1.627669|1.473742|1.362225|1.367426|1.491198|1.637624|2.603040|1.576198|2.254998|1.174270|4.824802|0.062922|0.073734|0.067291|0.082584|0.072529|0.105552|0.125602|0.134354|0.196590|0.500000| |2.011217|2.274364|3.567506|0.067421|2.959149|3.483546|4.105575|5.629886|9.062767|17.753812|8.753767|5.586517|4.922565|5.022827|0.089849|3.360129|0.083917|2.822094|0.081574|2.385593|2.312511|2.729751|0.053505|1.831812|2.945298|2.570664|2.129679|3.778068|1.697791|1.557272|1.417420|1.307576|1.213642|1.207085|1.294148|1.407366|2.247447|1.337554|2.002288|1.055738|4.462010|0.051364|0.057060|0.053459|0.065895|0.059653|0.073290|0.087124|0.085765|0.104245|0.215783|0.500000| |1.912703|2.206642|3.414704|0.064679|2.641403|2.963636|3.690863|4.952506|5.649033|8.779172|17.725237|9.106529|5.697338|5.724805|0.108219|3.405352|0.084724|2.876744|0.084777|2.524527|2.582811|3.049425|0.061043|1.990712|3.208620|2.708352|2.201644|3.764794|1.758089|1.595201|1.439389|1.340259|1.235796|1.213228|1.287004|1.403947|2.207044|1.294852|2.004441|1.064234|5.210023|0.049413|0.052793|0.051141|0.063555|0.059842|0.064632|0.077374|0.074412|0.082356|0.123912|0.215613|0.500000| |2.173830|2.594367|4.079251|0.077189|2.951539|3.232805|4.306695|5.477613|4.802154|5.510983|8.951093|17.757109|8.751340|9.276502|0.191297|4.556408|0.110911|3.757448|0.111468|3.380180|3.657792|4.174785|0.084026|2.602965|4.111857|3.457440|2.815406|4.613342|2.161734|1.914735|1.689978|1.568621|1.423637|1.380651|1.463037|1.618870|2.470688|1.438726|2.253645|1.194928|7.875373|0.055937|0.058334|0.058571|0.073407|0.072517|0.070351|0.084950|0.081817|0.084002|0.104981|0.123064|0.216524|0.500000| |3.490025|3.536257|5.217011|0.129252|3.091951|2.981213|2.958296|2.520087|2.134734|1.927149|1.953848|2.200553|2.567903|4.156591|0.085668|3.559972|0.115074|3.845161|0.089576|4.831349|4.052147|5.953368|0.101806|5.835803|9.170000|12.546827|7.459841|14.351135|17.691101|8.811472|6.865397|4.990451|3.952296|3.804610|4.491943|6.199236|6.665203|3.783848|5.442855|2.637778|5.756697|0.088213|0.085367|0.115667|0.082304|0.106576|0.083388|0.075403|0.091231|0.071432|0.057205|0.048555|0.049462|0.060017|0.500000| |2.879992|2.995782|4.254179|0.098371|2.564197|2.471664|2.538362|2.246102|1.924083|1.778137|1.839996|2.084311|2.364409|3.819028|0.081754|3.065744|0.095538|3.313729|0.080752|4.302584|4.071909|6.738723|0.119087|7.555677|14.168735|12.542042|5.818476|9.216367|17.684580|8.841066|6.901181|5.914472|4.366977|3.811176|4.047327|5.172482|5.819860|3.099623|5.423609|2.738566|5.803175|0.075769|0.070615|0.090714|0.072212|0.093061|0.068336|0.064852|0.073101|0.060350|0.051015|0.044983|0.047190|0.058185|0.301863|0.500000| |3.359174|3.358941|4.307456|0.096989|2.558984|2.327502|2.324136|2.053929|1.782031|1.646722|1.689926|1.890462|2.129921|3.378273|0.072257|2.732880|0.080265|3.186553|0.080506|4.061814|3.818400|6.168421|0.110781|6.300240|11.762016|9.540185|5.140610|8.239590|8.894782|17.576798|8.905092|7.207452|4.731689|3.965199|4.196029|5.628029|5.877257|3.112273|5.517557|2.786930|5.502028|0.093439|0.079328|0.106225|0.080407|0.108889|0.069681|0.065892|0.067079|0.057445|0.047669|0.041948|0.043516|0.052552|0.173982|0.213315|0.500000| |4.461438|4.175727|5.305433|0.125868|3.077921|2.733297|2.628932|2.253685|1.942891|1.760796|1.774639|1.973201|2.271501|3.598771|0.074784|3.059458|0.090644|3.642334|0.089078|4.485973|3.794348|5.539215|0.096337|5.186506|8.402230|9.513278|6.147941|11.275082|8.880474|17.536024|8.881829|5.716817|4.227528|3.967173|4.710099|7.061732|6.763926|3.812082|5.547777|2.685154|5.453119|0.120492|0.102208|0.154464|0.095002|0.132339|0.085753|0.076944|0.080122|0.066655|0.052536|0.044749|0.045226|0.053819|0.212450|0.174067|0.302411|0.500000| |2.414708|2.369761|3.131975|0.069701|1.972961|1.859174|1.856462|1.681232|1.493778|1.398690|1.434283|1.580259|1.738347|2.680776|0.056937|2.112266|0.062512|2.317488|0.059522|2.765660|2.691852|4.271545|0.082027|4.007552|8.271244|5.625333|3.295960|5.598595|5.421762|6.986335|8.948284|17.710314|8.915388|5.647378|4.947742|5.653026|6.521643|3.139211|7.451890|3.918039|4.117054|0.067237|0.060002|0.074816|0.058898|0.072706|0.054283|0.051213|0.054024|0.046937|0.040202|0.036067|0.037407|0.044167|0.126387|0.166885|0.217055|0.144874|0.500000| |1.987764|1.908992|2.550938|0.056537|1.666806|1.596671|1.574907|1.440555|1.303964|1.225418|1.245147|1.349842|1.469081|2.213971|0.046319|1.738927|0.051483|1.854321|0.047939|2.109140|2.035518|3.087060|0.060102|2.704192|5.293077|3.858135|2.445968|4.344492|3.532306|4.097567|5.656892|8.929504|17.763300|8.950973|5.634825|4.974650|7.596732|3.331149|12.555692|7.497897|3.214755|0.055266|0.050923|0.061153|0.048206|0.056616|0.046498|0.043338|0.046712|0.040993|0.035445|0.031924|0.032681|0.037550|0.092652|0.105532|0.112778|0.097646|0.217150|0.500000| |3.502251|3.114217|4.232542|0.101750|2.682637|2.509202|2.340284|2.021123|1.784650|1.613370|1.598324|1.739762|1.984154|3.042571|0.061540|2.586063|0.078687|2.828196|0.069300|3.171092|2.725296|3.855063|0.069825|3.397663|5.771011|5.841703|4.088751|8.502552|5.778862|7.043344|8.908772|5.680505|4.972607|5.629273|8.966113|17.739585|12.613669|7.535844|7.600184|3.330360|4.136949|0.092087|0.088163|0.121088|0.073709|0.089614|0.077359|0.066110|0.076524|0.062640|0.049147|0.041489|0.040910|0.047011|0.185091|0.134296|0.143123|0.211208|0.124434|0.107922|0.500000| |2.401782|2.131661|2.938619|0.067244|2.033054|1.978741|1.817218|1.617681|1.486703|1.356042|1.321616|1.398033|1.556242|2.286382|0.045562|1.893060|0.056716|1.964914|0.049698|2.057256|1.835743|2.536374|0.047694|2.090093|3.626056|3.283665|2.398523|4.838660|2.836953|3.043626|3.611125|3.191582|3.419006|4.412894|5.892812|4.911855|17.038256|17.647211|7.789917|3.349983|2.936718|0.063992|0.065438|0.076606|0.053282|0.058688|0.059942|0.051088|0.060452|0.051722|0.041786|0.035579|0.034227|0.037578|0.087669|0.073822|0.073548|0.087303|0.075170|0.082113|0.146917|0.500000| |2.989240|2.564044|3.453232|0.080076|2.333283|2.203538|2.006203|1.759895|1.597804|1.448033|1.413564|1.506435|1.693829|2.517565|0.050295|2.115057|0.063060|2.259998|0.056821|2.389653|2.094851|2.890939|0.053715|2.407955|4.130633|3.870074|2.842204|5.834291|3.385074|3.847205|4.573366|3.754927|3.802851|4.754325|7.049875|6.735028|16.452282|17.544616|7.532712|3.244497|3.304361|0.080011|0.079965|0.098801|0.062892|0.070878|0.069419|0.058224|0.067042|0.056849|0.044763|0.037753|0.036422|0.040451|0.104147|0.084681|0.090487|0.115769|0.086888|0.088278|0.226102|0.299959|0.500000| |2.787066|2.493785|3.515441|0.082924|2.377883|2.324749|2.134591|1.867984|1.686895|1.525243|1.490448|1.593696|1.799805|2.685220|0.053383|2.262502|0.069226|2.346386|0.058090|2.492284|2.177993|3.010238|0.055715|2.527792|4.322218|4.126607|3.019761|6.304190|3.701695|3.856277|4.568843|3.748824|3.795228|4.744301|7.041190|6.735006|16.450113|17.543381|7.515924|3.236334|3.423378|0.072436|0.074626|0.091694|0.061000|0.068964|0.069573|0.058625|0.072388|0.059543|0.047142|0.039638|0.038302|0.042754|0.121158|0.093962|0.088717|0.110578|0.086752|0.088093|0.226578|0.299937|0.298848|0.500000| |1.696716|1.624017|2.205376|0.048741|1.477085|1.439961|1.413589|1.303448|1.194726|1.125967|1.137205|1.219746|1.318205|1.957246|0.040536|1.531752|0.045476|1.595168|0.041321|1.765332|1.697433|2.511702|0.049140|2.128752|4.053348|3.055914|2.014030|3.650438|2.701075|2.915954|3.732809|4.573032|6.734953|7.052591|4.747954|3.794530|7.516994|3.238600|16.438630|17.556275|2.728992|0.046746|0.044415|0.051796|0.041427|0.047174|0.041422|0.038411|0.042375|0.037391|0.032680|0.029536|0.029969|0.033817|0.074665|0.079751|0.077761|0.073124|0.113260|0.225396|0.088127|0.084348|0.081801|0.084829|0.500000| |1.742047|1.645213|2.192826|0.048214|1.468295|1.411679|1.376060|1.266479|1.163088|1.094919|1.102949|1.180339|1.276115|1.891316|0.039169|1.485245|0.043641|1.569093|0.040902|1.729606|1.658587|2.442675|0.047773|2.056865|3.894753|2.949958|1.961026|3.557161|2.572712|2.914564|3.737318|4.576925|6.736951|7.058697|4.755026|3.799827|7.529349|3.245624|16.439670|17.556986|2.669667|0.048679|0.045539|0.053069|0.042059|0.047834|0.041453|0.038349|0.041281|0.036747|0.031892|0.028760|0.029067|0.032669|0.070193|0.073872|0.078978|0.074662|0.113333|0.225205|0.088264|0.084525|0.085241|0.081777|0.298864|0.500000| 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