Version2.4 2021-06-07T04:30:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 11-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+](CC)CCNC(=O)CCCN1c2cc(ccc2OCC1=O)C(=O)COc3c(cccc3C)C C37512189 RHF 6-31G(d) (6D,7F) CC[NH+](CC)CCNC(=O)CCCN1c2cc(ccc2OCC1=O)C(=O)COc3c(cccc3C)C C01[X(C28H38N3O5)] 216 C1 616 CC[NH+](CCNC(=O)CCCN1C(=O)COc2c1cc(cc2)C(=O)COc1c(C)cccc1C)CC CC[NH+](CCNC(=O)CCCN1C(=O)COc2c1cc(cc2)C(=O)COc1c(C)cccc1C)CC CC[NH+](CC)CCNC(=O)CCCN1C(=O)COc2ccc(cc12)C(=O)COc3c(C)cccc3C InChIKey=QEMQWYQXOJKMSN-UHFFFAOYSA-O InChI=1S/C28H37N3O5/c1-5-30(6-2)16-14-29-26(33)11-8-15-31-23-17-22(12-13-25(23)35-19-27(31)34)24(32)18-36-28-20(3)9-7-10-21(28)4/h7,9-10,12-13,17H,5-6,8,11,14-16,18-19H2,1-4H3,(H,29,33)/p+1 InChI=1/C28H37N3O5/c1-5-30(6-2)16-14-29-26(33)11-8-15-31-23-17-22(12-13-25(23)35-19-27(31)34)24(32)18-36-28-20(3)9-7-10-21(28)4/h7,9-10,12-13,17H,5-6,8,11,14-16,18-19H2,1-4H3,(H,29,33)/p+1/fC28H38N3O5/h29-30H/q+1 CC[NH+](CC)CCNC(=O)CCCN1c2cc(ccc2OCC1=O)C(=O)COc3c(cccc3C)C C01[X(C28H38N3O5)] 216 C01 616 CC[NH+](CCNC(=O)CCCN1C(=O)COc2c1cc(cc2)C(=O)COc1c(C)cccc1C)CC CC[NH](CCNC(=O)CCCN1C(=O)CO[C]2[C]1[CH][C]([CH][CH]2)C(=O)CO[C]1[C]([CH][CH][CH][C]1C)C)CC CC[NH](CC)CCNC(=O)CCCN1[C]2[CH][C]([CH][CH][C]2OCC1=O)C(=O)CO[C]3[C](C)[CH][CH][CH][C]3C InChIKey=NUFYYOHNQUGELF-UHFFFAOYSA-N InChI=1S/C28H38N3O5/c1-5-30(6-2)16-14-29-26(33)11-8-15-31-23-17-22(12-13-25(23)35-19-27(31)34)24(32)18-36-28-20(3)9-7-10-21(28)4/h7,9-10,12-13,17,30H,5-6,8,11,14-16,18-19H2,1-4H3,(H,29,33) InChI=1/C28H38N3O5/c1-5-30(6-2)16-14-29-26(33)11-8-15-31-23-17-22(12-13-25(23)35-19-27(31)34)24(32)18-36-28-20(3)9-7-10-21(28)4/h7,9-10,12-13,17,30H,5-6,8,11,14-16,18-19H2,1-4H3,(H,29,33)/f/h29H 3875.6103441067 -1619.9360335 1-A 24650.9415 133 483 616 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1660.5175 1660.6993 1667.4438 1671.4939 1699.5998 1713.9994 1784.1766 1794.6772 1801.0327 1802.7322 1933.5587 1955.0899 1985.1316 3201.4823 3202.9485 3215.9911 3218.0948 3220.5342 3221.5205 3226.7644 3232.5131 3238.1758 3252.5521 3256.3967 3263.8399 3265.7193 3280.4958 3280.7233 3283.2039 3288.7380 3291.4349 3294.1651 3296.5487 3301.7071 3304.6539 3306.5610 3306.9744 3312.1870 3345.6505 3357.3851 3358.9790 3361.5355 3363.5427 3367.7936 3372.6035 3387.7325 3395.6958 3411.2046 3461.7194 3692.2369 3826.4823 4.4255 4.4110 3.9357 3.8228 4.3083 4.8712 3.9238 5.0221 2.9712 5.1811 3.4957 1.8186 5.6434 3.2313 2.1178 2.0032 1.6424 3.2243 3.7389 2.3895 2.8043 3.0002 3.2393 2.3956 1.7780 3.2595 1.3846 3.7041 3.0163 3.9967 2.4574 3.5782 3.1327 1.9238 2.9929 3.7501 2.3860 3.9416 4.9800 3.3070 4.6027 5.0122 3.5441 2.7636 3.7648 3.1482 3.2714 5.1375 3.5154 5.2038 4.3074 5.2285 3.4263 3.1859 3.6547 5.3192 4.3553 3.6132 2.3271 1.6137 5.4201 3.2480 2.8031 5.3790 2.9961 7.0300 2.3517 1.9023 2.9882 3.5243 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2223.56 2252.27 2258.16 2261.82 2263.32 2265.67 2270.93 2278.26 2281.92 2298.88 2314.55 2323.87 2348.89 2348.94 2349.55 2351.45 2353.72 2354.39 2355.85 2357.69 2360.77 2362.54 2371.92 2375.72 2384.47 2388.28 2389.11 2389.38 2399.08 2404.91 2445.34 2466.06 2567.03 2582.14 2591.28 2593.73 2781.96 2812.94 2856.16 4606.22 4608.33 4627.09 4630.12 4633.63 4635.05 4642.59 4650.87 4659.01 4679.70 4685.23 4695.94 4698.64 4719.90 4720.23 4723.80 4731.76 4735.64 4739.57 4743.00 4750.42 4754.66 4757.40 4758.00 4765.50 4813.64 4830.53 4832.82 4836.50 4839.39 4845.50 4852.42 4874.19 4885.65 4907.96 4980.64 5312.31 5505.45 0.682786 0.717729 0.718673 0.608588 -1619.253248 -1619.218304 -1619.217360 -1619.327446 3.692303D-04 MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE CC[NH+](CC)CCNC(=O)CCCN1c2cc(ccc2OCC1=O)C(=O)COc3c(cccc3C)C C37512189 RHF 6-31G(d) (6D,10F) C1 496.281147 |X|Y|Z| 112.207231 103.217338 37.503212 75.732214 19 6 7 8 16 1 2 |36.858105| |12.533314|36.858105| |7.564117|12.560383|53.358707| |7.541478|9.278395|25.713335|0.500000| |5.914255|7.604011|17.218788|0.259346|36.858105| |4.392404|4.977903|10.300461|0.207605|12.523237|36.858105| |5.028645|7.660051|17.206209|0.258067|7.607568|5.972463|36.858105| |4.483492|5.950604|10.315958|0.210230|5.005592|4.471788|12.401090|36.858105| |3.550993|4.557852|6.963621|0.135383|3.855828|3.491632|7.784774|13.275190|53.358707| |3.501156|4.499856|6.115694|0.115429|3.461146|3.021466|6.098353|7.888393|19.100143|36.858105| |4.138417|5.518464|6.720919|0.123408|3.697820|3.080745|6.152298|7.066009|11.627881|15.793460|73.516695| |2.757000|3.341458|4.535168|0.087144|2.755158|2.485165|4.231650|5.052525|10.659764|12.595326|14.118291|36.858105| |2.513647|2.897718|3.907247|0.077825|2.391945|2.205767|3.445775|4.276615|8.062013|7.537631|10.267622|12.345642|36.858105| |2.095875|2.371255|3.243152|0.064787|2.058150|1.936847|2.813009|3.327464|5.907806|4.936735|7.160688|7.465348|12.377866|36.858105| |1.937768|2.140163|2.950055|0.060052|1.886342|1.806038|2.501043|2.983886|5.012352|3.902101|5.871228|5.015288|7.617286|13.050920|53.358707| |1.951303|2.145551|3.027243|0.062508|1.935733|1.886523|2.575318|3.139601|5.190574|3.751793|5.579593|4.452805|6.101016|7.665474|18.408178|36.858105| |2.092485|2.338232|3.391946|0.070127|2.157930|2.123975|2.970883|3.708983|6.317920|4.243545|6.054838|4.874417|5.999686|6.596193|10.607295|13.826644|36.858105| |2.054078|2.264363|3.358754|0.070760|2.158461|2.179547|2.899278|3.614377|5.715082|3.629147|5.350390|3.823984|4.350727|4.457408|6.967353|7.869599|13.667231|36.858105| |1.877829|2.021269|2.959380|0.062931|1.924560|1.954331|2.465486|2.999510|4.514221|2.969013|4.560223|3.098995|3.586873|3.730344|6.171868|6.816451|7.943273|13.729357|36.858105| |1.769081|1.887897|2.700999|0.057101|1.758163|1.761220|2.219565|2.665796|4.033291|2.776992|4.334025|2.975183|3.599685|3.893344|7.026794|7.886434|6.913385|7.939286|13.748024|36.858105| |1.800941|1.937897|2.729222|0.057021|1.763976|1.737370|2.260122|2.716638|4.248583|3.037276|4.703000|3.405096|4.392611|5.076367|10.716783|13.628864|8.000372|6.875159|7.944310|13.806832|36.858105| |1.677289|1.784588|2.472233|0.051504|1.608462|1.574665|2.012112|2.369651|3.645838|2.685583|4.276730|3.016479|3.885102|4.532850|9.421457|8.033450|5.276639|4.633000|5.268145|8.110398|14.191960|73.516695| |1.608179|1.721155|2.361843|0.048626|1.544887|1.499702|1.926962|2.228896|3.475975|2.635004|4.214394|3.067072|3.959082|5.011877|10.613924|6.953774|4.650894|3.869039|4.053606|5.355435|8.165219|24.093881|36.858105| |1.749218|1.900396|2.587648|0.052724|1.676501|1.606222|2.141577|2.488153|4.010194|3.148098|4.962948|3.881532|5.365899|7.803153|18.946646|7.910091|5.186423|3.946791|3.793714|4.561188|6.805138|13.848928|12.570166|36.858105| |1.695000|1.839485|2.471620|0.049973|1.609985|1.529918|2.030167|2.312116|3.701507|2.986066|4.816528|3.713495|4.922079|6.899555|11.469497|5.411589|4.062178|3.214664|3.071872|3.549705|4.775955|9.666731|8.078735|15.959209|73.516695| |2.192920|2.448399|3.773271|0.079852|2.437274|2.518223|3.332338|4.154800|6.371796|3.746263|5.497916|3.720936|3.855195|3.739025|5.301976|5.087116|7.755533|12.759027|7.483250|5.016171|4.474926|6.052462|2.991579|3.113929|4.740738|36.858105| |2.433391|2.797632|4.409732|0.092011|2.804669|2.872854|4.111209|5.253166|8.458628|4.572751|6.462582|4.385208|4.238484|3.920507|5.183100|4.633103|6.917987|8.125360|5.297495|4.036359|3.872315|5.441559|2.783813|3.009189|4.681234|15.873241|73.516695| |2.011924|2.199976|3.419140|0.073201|2.279206|2.431282|2.905576|3.431425|4.884016|2.954367|4.533211|2.887181|2.952285|2.897887|4.145103|3.808511|4.983983|7.356195|6.272431|4.309930|3.644360|5.176557|2.558711|2.574020|3.993295|12.547186|14.302326|36.858105| |2.118199|2.327598|3.731123|0.080215|2.533514|2.793140|3.171353|3.623132|4.918705|2.910668|4.524643|2.750560|2.700291|2.587962|3.571478|3.118312|3.946355|5.072131|4.361265|3.313453|2.938116|4.335698|2.195869|2.243832|3.559845|8.023469|12.962672|13.706653|73.516695| |1.902001|2.059387|3.272129|0.070083|2.293607|2.571441|2.694983|2.941899|3.945408|2.423128|3.855001|2.311246|2.266619|2.205251|3.052498|2.608887|3.148216|3.876388|3.569505|2.836922|2.515381|3.811852|1.948921|1.966869|3.156247|5.243553|8.601714|8.107712|24.581844|36.858105| |1.846008|1.956620|3.087303|0.067105|2.180707|2.471664|2.457962|2.668779|3.486385|2.175646|3.529765|2.057471|2.040112|1.972140|2.753163|2.333887|2.726406|3.316982|3.216024|2.621532|2.304224|3.553308|1.805942|1.802335|2.905780|4.162625|6.804879|5.957832|14.188833|13.699240|36.858105| |1.661635|1.747550|2.726151|0.058733|1.964235|2.228605|2.138067|2.263762|2.968296|1.893333|3.107306|1.805523|1.785489|1.742280|2.427689|2.024167|2.310397|2.724103|2.680962|2.261728|2.010909|3.158931|1.623423|1.613076|2.624800|3.254218|5.415157|4.304754|9.300116|7.998733|13.714040|36.858105| |1.557395|1.650587|2.563528|0.054406|1.866298|2.104040|2.026433|2.111686|2.812793|1.810541|2.966625|1.746599|1.712898|1.690574|2.340402|1.933609|2.201966|2.548043|2.477053|2.114434|1.905553|3.006708|1.564922|1.560023|2.551303|3.019642|5.097059|3.869903|8.204144|6.925580|7.899656|13.774059|36.858105| |1.594037|1.714575|2.672759|0.056100|1.940105|2.170065|2.158131|2.244648|3.043583|1.949080|3.157467|1.896347|1.842658|1.831977|2.517638|2.082736|2.408555|2.778575|2.629177|2.223480|2.020809|3.159890|1.655740|1.663882|2.717148|3.367653|5.742075|4.311247|9.314450|7.997895|6.834649|7.952812|13.769904|36.858105| |1.753136|1.909914|3.009169|0.063195|2.147368|2.391353|2.489196|2.637051|3.612394|2.263010|3.605107|2.197626|2.128182|2.107624|2.888783|2.426417|2.894764|3.418068|3.125716|2.561107|2.319139|3.554316|1.851397|1.875242|3.034772|4.412299|7.503760|5.973670|14.237633|13.690574|7.813906|6.834774|7.899872|13.718889|36.858105| |1.761811|1.953263|3.064036|0.063116|2.178176|2.373967|2.604544|2.739608|3.891709|2.445387|3.836308|2.421953|2.306162|2.316625|3.123865|2.603134|3.156617|3.606797|3.154950|2.605998|2.420137|3.689036|1.952336|2.007307|3.254052|4.670023|8.303934|5.602197|11.980856|7.538081|4.986520|4.431947|5.012002|7.542775|12.605602|36.858105| |1.975246|2.060315|3.241038|0.072059|2.251091|2.544691|2.530337|2.812564|3.584238|2.232425|3.653393|2.079648|2.091157|1.988400|2.798447|2.381797|2.751842|3.370660|3.354240|2.741611|2.383888|3.684678|1.845983|1.834547|2.949274|4.111709|6.666553|5.566546|11.898666|7.532379|12.606236|7.550166|5.014596|4.431950|4.983968|3.770208|36.858105| |17.549977|8.796215|9.262193|0.218778|5.132264|4.183264|4.803924|4.682623|4.932640|3.493347|7.159400|2.753536|2.575934|2.138919|2.729007|2.040633|2.188125|2.169614|1.996714|1.877466|1.898152|3.135071|1.672393|1.806745|3.087660|2.311004|4.517737|2.123941|3.958199|1.987541|1.944955|1.737582|1.611327|1.638997|1.807413|1.797919|2.117282|0.500000| |17.590317|8.951468|7.535443|0.148941|4.604027|3.556343|4.173937|3.844010|4.390364|3.315427|7.126110|2.670505|2.456043|2.051741|2.576731|1.881445|1.987205|1.929724|1.776029|1.694839|1.740365|2.913086|1.582497|1.726161|3.001023|2.025180|3.958515|1.852748|3.423171|1.737170|1.686040|1.527354|1.438336|1.472668|1.612132|1.627217|1.797208|0.302814|0.500000| |17.580919|8.717292|9.210435|0.188806|6.354840|4.761666|4.464878|3.855275|4.218791|3.007720|6.107762|2.436026|2.225639|1.895194|2.400880|1.784594|1.916273|1.899795|1.747348|1.641746|1.658784|2.750812|1.484305|1.601644|2.760799|2.042944|4.007045|1.907082|3.608429|1.848734|1.807989|1.642242|1.541738|1.570194|1.711648|1.709896|1.928388|0.300203|0.302765|0.500000| |8.772794|17.621836|12.408378|0.183526|7.479375|4.710298|6.604133|4.883343|5.524701|4.140148|9.008098|3.188145|2.714663|2.259901|2.751544|2.005571|2.174646|2.091032|1.868019|1.753289|1.808092|2.977053|1.632365|1.807625|3.139322|2.254297|4.573227|2.035681|3.832210|1.929485|1.825953|1.648218|1.573583|1.641692|1.816978|1.875353|1.895034|0.172212|0.212159|0.208020|0.500000| |8.814157|17.665451|12.320490|0.208580|5.643766|4.134324|7.694424|6.872448|7.385727|5.686275|13.714941|3.975579|3.408144|2.692744|3.262029|2.378167|2.582105|2.454058|2.172391|2.040897|2.121892|3.468989|1.885650|2.109441|3.630922|2.614601|5.339237|2.294428|4.237925|2.080414|1.960878|1.739839|1.643125|1.715112|1.925084|1.984254|2.067071|0.210962|0.213802|0.171935|0.303184|0.500000| |6.814682|7.530816|12.379656|0.213141|17.655149|8.867778|5.624528|4.149486|4.495785|3.071415|5.964651|2.490617|2.199674|1.901461|2.386332|1.788238|1.963668|1.960620|1.773089|1.637204|1.644617|2.692792|1.457573|1.575566|2.704859|2.175088|4.362360|2.048265|3.996087|2.059636|1.985980|1.807954|1.716270|1.767098|1.931377|1.945179|2.065581|0.154271|0.145486|0.233643|0.214416|0.148231|0.500000| |4.931421|6.655860|12.427148|0.183189|17.623123|8.766081|7.369704|4.665177|5.212536|3.515657|6.663447|2.832838|2.402841|2.081411|2.564187|1.915434|2.134719|2.109564|1.868762|1.712876|1.731585|2.810957|1.532692|1.674320|2.874501|2.375273|4.895659|2.205806|4.340021|2.217503|2.080088|1.886162|1.817526|1.911096|2.114398|2.185298|2.108046|0.117470|0.114338|0.142444|0.208779|0.146318|0.302462|0.500000| |3.787840|4.142956|7.542751|0.148519|8.940016|17.589497|4.622007|3.597311|4.031344|2.630319|4.774871|2.222173|1.981283|1.765798|2.246689|1.716363|1.915988|1.963648|1.776810|1.611334|1.589492|2.578449|1.388234|1.481151|2.520446|2.248148|4.495464|2.198493|4.475969|2.375264|2.299222|2.117630|2.022950|2.079055|2.249428|2.232076|2.335628|0.098790|0.088289|0.117286|0.114331|0.096820|0.215182|0.211870|0.500000| |3.791367|4.440512|9.187544|0.184635|8.722939|17.594038|6.437791|4.852865|5.200411|3.190197|5.593564|2.635631|2.322554|2.050085|2.599376|2.013356|2.304808|2.384769|2.110066|1.876225|1.842564|2.938898|1.571005|1.683528|2.833615|2.827241|5.840539|2.738266|5.744177|2.949553|2.778248|2.474325|2.343465|2.449956|2.743516|2.738146|2.809608|0.102558|0.087518|0.108822|0.116478|0.108339|0.172559|0.208067|0.302867|0.500000| |4.526939|4.729745|9.285243|0.218469|8.795839|17.553121|5.211727|4.305865|4.508488|2.862250|5.194439|2.363013|2.145796|1.883035|2.420814|1.871034|2.097241|2.177564|1.976597|1.780253|1.741926|2.810173|1.493531|1.587181|2.677814|2.505942|4.992540|2.449190|4.994230|2.594057|2.552447|2.292979|2.126483|2.156153|2.364818|2.296722|2.699276|0.125844|0.100357|0.138367|0.118621|0.110223|0.212171|0.172182|0.302612|0.300349|0.500000| |4.136843|5.644309|12.281555|0.207522|7.541135|6.873447|17.664023|8.787036|8.872814|4.997973|8.461102|3.790573|3.123656|2.647690|3.236864|2.480686|2.902678|2.890939|2.449202|2.174886|2.187533|3.443737|1.853340|2.040378|3.426483|3.436190|7.639241|3.065196|6.168335|2.963632|2.665146|2.316225|2.210339|2.377397|2.761442|2.906988|2.686866|0.110673|0.096914|0.107927|0.145319|0.150174|0.148132|0.212777|0.146103|0.236994|0.155974|0.500000| |4.762215|7.587184|12.439965|0.183959|6.518852|4.890565|17.681741|8.789908|10.167360|6.840353|13.038879|4.668629|3.595639|2.917714|3.438641|2.536206|2.881249|2.731022|2.324121|2.126295|2.202620|3.518990|1.925551|2.170307|3.704993|3.053656|6.633320|2.639378|5.013836|2.428394|2.207369|1.946458|1.868517|2.000963|2.289388|2.438163|2.245119|0.120802|0.115525|0.116555|0.205822|0.225831|0.143091|0.199642|0.112801|0.141965|0.117526|0.301465|0.500000| |5.251004|6.706402|10.074096|0.220211|4.711284|4.096387|8.800253|17.572962|12.538294|7.295713|13.327860|4.729750|4.241031|3.228974|3.994434|3.051070|3.468069|3.361293|2.882518|2.620930|2.685539|4.230206|2.229326|2.482532|4.121187|3.677231|7.750697|3.090358|5.664278|2.640851|2.457545|2.103497|1.949235|2.041665|2.358838|2.412272|2.646536|0.160500|0.124798|0.118798|0.142304|0.233961|0.114573|0.118385|0.092739|0.116693|0.113921|0.175130|0.197414|0.500000| |3.954054|4.817942|8.693019|0.196051|4.656647|4.585622|8.822359|17.607410|12.660273|5.816406|9.089021|4.277697|3.840365|3.124844|3.950844|3.167076|3.837488|3.957536|3.272135|2.818540|2.788722|4.262159|2.216131|2.422782|3.949310|4.826842|10.977303|4.044790|7.834112|3.457229|3.125206|2.581955|2.368904|2.510518|2.998798|3.049963|3.344006|0.118067|0.093870|0.098127|0.112223|0.143521|0.107443|0.117652|0.101701|0.143977|0.126822|0.224209|0.175128|0.301755|0.500000| |3.043617|3.733141|5.790515|0.115655|3.405688|3.231456|6.074853|9.097010|25.955211|9.219791|10.817843|7.342654|5.993521|4.676604|5.493631|4.365384|5.751034|5.189617|3.851312|3.331901|3.482100|5.148975|2.734774|3.139378|5.039884|6.050216|15.919313|4.291931|7.521889|3.272753|2.814117|2.361964|2.242076|2.458573|2.985007|3.272209|2.854651|0.086999|0.077245|0.075596|0.094119|0.117954|0.081496|0.094130|0.077199|0.100367|0.085702|0.158902|0.158406|0.187479|0.236076|0.500000| |2.539309|3.071441|4.332121|0.083185|2.702338|2.488571|4.130072|4.789475|10.143015|8.970811|10.658728|17.543423|8.781392|7.221668|6.720255|4.552370|5.287688|4.106827|3.225205|3.029422|3.425684|5.285696|3.026202|3.771429|6.318089|4.095512|8.835428|3.126465|5.295940|2.489337|2.172570|1.903733|1.859104|2.048344|2.399887|2.714539|2.155617|0.070269|0.067549|0.063475|0.082284|0.097938|0.067099|0.077989|0.062128|0.074681|0.065164|0.107789|0.125054|0.117945|0.117456|0.221837|0.500000| |2.668162|3.223557|4.232328|0.080144|2.623803|2.333829|3.813556|4.229732|7.915630|9.022145|13.268048|17.611117|8.741445|6.390166|5.936454|3.744577|3.912916|3.168678|2.662085|2.601900|2.974390|4.845391|2.840225|3.600381|6.424731|3.084270|6.298396|2.489881|4.261677|2.060850|1.852248|1.647779|1.604053|1.735888|1.982596|2.181811|1.865978|0.072730|0.073165|0.065702|0.087862|0.106083|0.066779|0.076006|0.058702|0.067863|0.061310|0.095013|0.121162|0.112794|0.099654|0.147840|0.302218|0.500000| |2.541249|2.880243|3.752778|0.074823|2.297358|2.095413|3.191456|3.866748|6.733327|6.503922|10.169857|8.796972|17.583123|8.810427|8.733676|5.030607|4.667154|3.627772|3.152476|3.249072|3.945565|6.570509|3.823501|5.160561|8.948330|3.237625|6.198569|2.582744|4.243676|2.038450|1.865321|1.647122|1.576902|1.679450|1.913437|2.045878|1.928734|0.072350|0.070284|0.062047|0.075047|0.095056|0.059583|0.063866|0.052511|0.060347|0.056937|0.079272|0.093202|0.111538|0.095568|0.131621|0.174054|0.219961|0.500000| |2.619728|2.990905|4.112720|0.083769|2.481743|2.317881|3.627968|4.798465|8.977630|7.321892|9.869090|8.825652|17.603675|8.831310|10.111220|7.042211|7.312655|5.271005|4.243593|4.176280|5.025291|7.510388|4.027122|5.111106|7.850243|4.549011|8.798181|3.364450|5.376862|2.485740|2.239861|1.932087|1.831180|1.961002|2.285934|2.443368|2.329626|0.076103|0.070156|0.064246|0.076062|0.097514|0.063130|0.068089|0.057276|0.068089|0.063370|0.091214|0.101113|0.133668|0.122937|0.192575|0.199757|0.174397|0.305286|0.500000| |2.037249|2.328280|3.244845|0.064392|2.083833|1.976059|2.864000|3.327998|6.001068|4.813922|6.820810|7.318591|8.768168|17.564962|12.507955|6.981467|6.913677|4.641992|3.739826|3.751146|4.667404|7.173072|4.391235|6.121188|9.739622|4.008099|7.608492|3.074252|4.890186|2.339356|2.056771|1.817440|1.780738|1.955857|2.268324|2.553385|2.037994|0.057359|0.054954|0.051603|0.062145|0.072532|0.053029|0.059064|0.050180|0.058736|0.052922|0.076399|0.082736|0.086863|0.087654|0.137203|0.236878|0.172376|0.175090|0.195342|0.500000| |1.980050|2.223676|2.990459|0.059388|1.919099|1.795014|2.545835|2.917257|4.995791|4.286483|6.574477|6.267093|8.777850|17.698214|12.663527|5.701993|4.855267|3.585204|3.137094|3.332549|4.264647|7.287863|4.827083|7.791832|14.965812|3.091065|5.734927|2.494945|4.021850|1.966114|1.775756|1.588234|1.548718|1.671296|1.896413|2.077750|1.787634|0.055704|0.054480|0.049884|0.059571|0.069878|0.049709|0.054197|0.045830|0.052328|0.048402|0.066493|0.074327|0.079622|0.075558|0.106063|0.163668|0.170832|0.223903|0.175968|0.304391|0.500000| |2.211593|2.528665|3.689678|0.075044|2.334527|2.274762|3.340600|4.171214|7.667225|5.110487|6.918936|6.176688|7.011461|7.445415|9.624720|8.946735|17.837398|9.011173|5.682110|4.982854|5.669970|7.538666|4.001026|4.722417|6.951170|7.353544|14.024377|4.684931|7.016116|3.131187|2.669727|2.270678|2.186720|2.421339|2.929437|3.290568|2.655225|0.063524|0.058171|0.056081|0.065710|0.078089|0.058404|0.064880|0.056795|0.069087|0.061534|0.090780|0.091274|0.104820|0.116945|0.205916|0.202360|0.130775|0.140879|0.224464|0.243118|0.146693|0.500000| |1.815604|1.934358|2.855498|0.061238|1.878147|1.935763|2.344504|2.808574|4.079214|2.657763|4.154158|2.705837|3.031357|3.093172|4.917379|4.925912|5.628580|8.843594|17.753037|8.989761|5.672373|7.586013|3.383752|3.142747|4.672664|6.781603|8.531317|6.961517|8.344265|3.938670|3.640170|2.999715|2.717636|2.835962|3.353159|3.244541|3.857365|0.053809|0.047505|0.047323|0.049633|0.057038|0.048180|0.050371|0.049058|0.058100|0.054816|0.065357|0.060801|0.075040|0.086601|0.095216|0.078091|0.065512|0.075462|0.097838|0.086604|0.074139|0.124386|0.500000| |1.651549|1.740309|2.477085|0.052535|1.626808|1.635481|2.001446|2.364651|3.495483|2.426974|3.866835|2.568044|3.052055|3.269179|5.721910|5.643473|4.975819|5.634086|8.865035|17.747801|9.014919|13.242437|4.931151|3.985386|5.704576|4.065041|5.962538|3.749096|5.270952|2.618998|2.481526|2.174404|2.027051|2.100462|2.371149|2.371323|2.617492|0.048765|0.044113|0.042801|0.044991|0.051889|0.042392|0.043917|0.041808|0.048089|0.046157|0.054539|0.053262|0.065214|0.069392|0.078599|0.072052|0.063607|0.078715|0.096151|0.087163|0.080438|0.108076|0.215500|0.500000| |1.543627|1.636473|2.224247|0.045823|1.459654|1.413045|1.791403|2.052664|3.149968|2.410143|3.935013|2.759694|3.498672|4.206873|7.918407|5.132656|3.745853|3.233363|3.415802|4.386470|5.942249|16.862977|17.696761|8.997875|13.385861|2.593827|4.334770|2.264969|3.511484|1.771734|1.660487|1.503977|1.448498|1.521139|1.683941|1.761355|1.706391|0.044593|0.042475|0.039620|0.043193|0.049705|0.038516|0.040174|0.036453|0.040841|0.039189|0.047689|0.049832|0.057640|0.056445|0.067685|0.074515|0.072376|0.097628|0.097894|0.101999|0.117623|0.092206|0.081948|0.118470|0.500000| |1.508033|1.617272|2.234536|0.045873|1.476478|1.441515|1.826377|2.085054|3.244777|2.435978|3.888709|2.837361|3.503533|4.506160|8.791212|6.081954|4.367300|3.713368|3.896777|5.011723|6.944497|16.502922|17.536320|8.972055|11.979325|2.906950|4.780287|2.526108|3.846682|1.940415|1.789629|1.619822|1.575123|1.675058|1.866216|1.982508|1.805635|0.043355|0.041124|0.038911|0.042858|0.048837|0.038644|0.040857|0.037241|0.042093|0.039755|0.049293|0.050745|0.057260|0.057887|0.071459|0.079715|0.073484|0.092240|0.097773|0.116763|0.121693|0.105689|0.091621|0.130077|0.300505|0.500000| |1.819260|1.984847|3.043874|0.064356|2.059273|2.185769|2.570245|2.949987|4.274022|2.670428|4.119427|2.684394|2.751620|2.796337|4.037704|3.692509|4.699618|6.629726|5.986771|4.245461|3.580481|5.125673|2.560938|2.543562|3.949614|8.981087|11.245154|17.529152|16.457321|7.491583|5.456673|4.239586|4.011445|4.633752|6.404439|6.267575|4.734169|0.052887|0.046938|0.048118|0.051640|0.057403|0.051752|0.055972|0.055707|0.067963|0.060686|0.075407|0.066148|0.074341|0.093257|0.103125|0.081643|0.065195|0.067057|0.085055|0.083571|0.067525|0.122026|0.185351|0.103889|0.062722|0.071723|0.500000| |1.978808|2.124799|3.266150|0.070895|2.170876|2.315306|2.702562|3.212644|4.461489|2.748871|4.294005|2.668201|2.793857|2.726048|3.989640|3.686833|4.578553|6.805705|6.841127|4.614598|3.710412|5.307239|2.560381|2.520644|3.898748|8.886789|10.878125|17.562963|16.574655|6.873734|6.034669|4.332551|3.712559|3.887186|4.962034|4.398681|6.386295|0.058672|0.050738|0.052116|0.054262|0.061510|0.054820|0.057733|0.058221|0.071238|0.065880|0.077833|0.068023|0.082865|0.105039|0.105486|0.078249|0.064416|0.069142|0.089335|0.078337|0.065723|0.114781|0.243007|0.114641|0.063478|0.069621|0.302712|0.500000| |1.605934|1.668132|2.582199|0.055915|1.867478|2.118792|1.991028|2.101583|2.732379|1.760056|2.917406|1.674026|1.663807|1.619114|2.262788|1.874680|2.106645|2.458372|2.460847|2.112921|1.880152|2.986296|1.533406|1.516499|2.476574|2.855008|4.763523|3.637204|7.502646|5.671436|8.931576|17.710231|8.932313|5.654697|4.931639|3.544925|7.018114|0.046799|0.041091|0.044285|0.043672|0.045970|0.048228|0.049537|0.056245|0.064353|0.061230|0.059351|0.050419|0.054969|0.066128|0.059678|0.048577|0.042667|0.043007|0.049961|0.046536|0.041230|0.057238|0.076601|0.057126|0.039736|0.042389|0.098621|0.105128|0.500000| |1.448330|1.525550|2.348849|0.049691|1.724254|1.937455|1.837362|1.896358|2.525381|1.646102|2.718442|1.592962|1.563094|1.547467|2.141347|1.751703|1.965927|2.238667|2.196217|1.910928|1.734012|2.767848|1.448903|1.440693|2.370075|2.585044|4.392179|3.190285|6.509203|4.979605|5.631238|8.925304|17.722042|8.923491|5.631405|4.088559|4.091015|0.041497|0.037316|0.040006|0.040603|0.042060|0.044402|0.046761|0.052315|0.059267|0.054390|0.055388|0.047400|0.049002|0.058370|0.055388|0.046908|0.040962|0.040237|0.046114|0.045150|0.039679|0.054235|0.066507|0.051332|0.037466|0.040600|0.092186|0.086151|0.215520|0.500000| |1.501698|1.618104|2.503065|0.052037|1.831134|2.031611|2.020100|2.074644|2.838794|1.841571|2.992216|1.808056|1.748188|1.752581|2.396196|1.959207|2.242970|2.530362|2.390594|2.058189|1.894509|2.987623|1.582592|1.593545|2.618723|2.993687|5.172990|3.644009|7.515989|5.670916|4.931655|5.654892|8.930867|17.711228|8.933737|7.007316|3.544972|0.042600|0.038724|0.041170|0.043395|0.044934|0.046483|0.050592|0.054612|0.063378|0.055553|0.061773|0.052653|0.052491|0.063423|0.063374|0.054453|0.046353|0.044354|0.051125|0.052226|0.044729|0.063068|0.070562|0.054125|0.040471|0.044736|0.110455|0.091209|0.124367|0.215475|0.500000| |1.937687|2.182751|3.476720|0.071168|2.453562|2.670208|3.037735|3.192871|4.570315|2.800537|4.334203|2.741291|2.554526|2.525517|3.341320|2.774592|3.446004|3.878772|3.250877|2.671862|2.518618|3.810776|2.021311|2.113160|3.425896|5.280727|10.183623|5.846697|13.185467|6.984477|4.669325|3.976598|4.229489|5.703508|8.841093|17.597079|3.730807|0.054775|0.049410|0.052004|0.058111|0.061729|0.059974|0.068691|0.068874|0.087203|0.070903|0.095983|0.078499|0.076199|0.099466|0.108576|0.086496|0.067853|0.062281|0.075327|0.077893|0.062350|0.102902|0.090766|0.066582|0.050512|0.056515|0.166403|0.123796|0.090535|0.097558|0.145574|0.500000| |1.685778|1.864518|2.877032|0.059210|2.019443|2.159679|2.447571|2.621678|3.815683|2.431645|3.787134|2.467828|2.390661|2.458715|3.362138|2.837406|3.452992|3.977466|3.483989|2.861387|2.643778|3.995167|2.114284|2.158355|3.471303|4.987415|8.417709|5.912170|10.874477|6.360496|4.448282|3.958405|4.379200|6.108122|8.813844|17.521741|3.505609|0.047884|0.043568|0.045172|0.049706|0.053145|0.050456|0.056323|0.056297|0.068137|0.058278|0.074304|0.064353|0.064759|0.080137|0.090061|0.077323|0.061604|0.058576|0.070269|0.075968|0.061025|0.098641|0.098924|0.071905|0.052529|0.060284|0.205863|0.127386|0.090125|0.101979|0.162426|0.302364|0.500000| |1.663477|1.841352|2.871600|0.058641|2.077466|2.264447|2.415648|2.476006|3.503879|2.244648|3.563612|2.231233|2.105972|2.124274|2.840758|2.318198|2.741627|3.030542|2.696121|2.293438|2.159765|3.348849|1.794675|1.848544|3.031088|3.727481|6.754314|4.249259|8.793514|5.611678|4.173879|3.979294|4.748394|7.212399|8.876520|17.586962|3.228829|0.046792|0.042832|0.045133|0.049623|0.051634|0.051774|0.058458|0.060073|0.072173|0.060363|0.075108|0.063575|0.060935|0.075154|0.080186|0.069330|0.056696|0.052357|0.061092|0.065053|0.053642|0.079869|0.076521|0.058591|0.045294|0.050834|0.129918|0.097957|0.090591|0.112831|0.219673|0.300837|0.302905|0.500000| |2.224639|2.331292|3.734963|0.084392|2.556599|2.913715|2.924380|3.306834|4.102610|2.498931|4.081057|2.280007|2.276591|2.123314|2.959088|2.516120|2.946470|3.594579|3.463216|2.814089|2.478349|3.805523|1.906337|1.918269|3.082400|4.523245|7.568364|5.802974|13.066341|6.973864|8.838661|5.705894|4.229553|3.974465|4.663926|3.729041|17.585612|0.066790|0.055597|0.060054|0.058855|0.064928|0.064527|0.065698|0.072781|0.090157|0.086800|0.086363|0.070633|0.085917|0.113053|0.090559|0.065340|0.056364|0.058157|0.071162|0.060261|0.052698|0.079791|0.107634|0.073452|0.048870|0.051346|0.128662|0.179730|0.145722|0.097577|0.090493|0.107327|0.095443|0.088282|0.500000| 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