Version2.0 2020-01-07T12:49:30Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 10-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@]1(C(=O)N(C(=O)N1)C[C@H]2COc3ccccc3O2)C4CC[NH+](CC4)Cc5cc6ccccc6o5 C12020012 RHF 6-31G(d) (6D,7F) CC[C@]1(C(=O)N(C(=O)N1)C[C@H]2COc3ccccc3O2)C4CC[NH+](CC4)Cc5cc6ccccc6o5 C01[X(C28H32N3O5)] 198 C1 604 CC[C@@]1(NC(=O)N(C1=O)C[C@H]1COc2c(O1)cccc2)C1CC[NH+](CC1)Cc1cc2c(o1)cccc2 CC[C@@]1(NC(=O)N(C1=O)C[C@H]1COc2c(O1)cccc2)C1CC[NH+](CC1)Cc1cc2c(o1)cccc2 CC[C@@]1(NC(=O)N(C[C@H]2COc3ccccc3O2)C1=O)C4CC[NH+](CC4)Cc5oc6ccccc6c5 InChIKey=DZHNWISSFKTNQT-RBISFHTESA-O InChI=1S/C28H31N3O5/c1-2-28(20-11-13-30(14-12-20)16-21-15-19-7-3-4-8-23(19)35-21)26(32)31(27(33)29-28)17-22-18-34-24-9-5-6-10-25(24)36-22/h3-10,15,20,22H,2,11-14,16-18H2,1H3,(H,29,33)/p+1/t22-,28+/m0/s1 InChI=1/C28H31N3O5/c1-2-28(20-11-13-30(14-12-20)16-21-15-19-7-3-4-8-23(19)35-21)26(32)31(27(33)29-28)17-22-18-34-24-9-5-6-10-25(24)36-22/h3-10,15,20,22H,2,11-14,16-18H2,1H3,(H,29,33)/p+1/t22-,28+/m0/s1/fC28H32N3O5/h29-30H/q+1 CC[C@]1(C(=O)N(C(=O)N1)C[C@H]2COc3ccccc3O2)C4CC[NH+](CC4)Cc5cc6ccccc6o5 C01[X(C28H32N3O5)] 198 C01 604 CC[C@@]1(NC(=O)N(C1=O)C[C@H]1COc2c(O1)cccc2)C1CC[NH+](CC1)Cc1cc2c(o1)cccc2 CC[C@@]1(NC(=O)N(C1=O)C[C@H]1COc2c(O1)cccc2)C1CC[NH](CC1)Cc1cc2c(o1)cccc2 CC[C@@]1(NC(=O)N(C[C@H]2COc3ccccc3O2)C1=O)C4CC[NH](CC4)Cc5oc6ccccc6c5 InChIKey=HMWSQOXBICPPMC-RBISFHTESA-N InChI=1S/C28H32N3O5/c1-2-28(20-11-13-30(14-12-20)16-21-15-19-7-3-4-8-23(19)35-21)26(32)31(27(33)29-28)17-22-18-34-24-9-5-6-10-25(24)36-22/h3-10,15,20,22,30H,2,11-14,16-18H2,1H3,(H,29,33)/t22-,28+/m0/s1 InChI=1/C28H32N3O5/c1-2-28(20-11-13-30(14-12-20)16-21-15-19-7-3-4-8-23(19)35-21)26(32)31(27(33)29-28)17-22-18-34-24-9-5-6-10-25(24)36-22/h3-10,15,20,22,30H,2,11-14,16-18H2,1H3,(H,29,33)/t22-,28+/m0/s1/f/h29H 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326.28 351.82 363.62 375.78 390.84 405.81 432.83 446.62 456.76 468.98 489.50 499.41 512.62 554.99 596.11 655.06 659.89 692.15 695.99 714.31 728.54 736.84 747.63 767.24 778.24 802.46 821.32 848.78 877.22 889.07 895.44 913.16 959.18 991.62 1001.97 1022.30 1040.16 1105.53 1122.78 1144.19 1151.57 1178.98 1188.07 1200.11 1226.36 1229.63 1230.66 1256.17 1266.71 1283.82 1303.97 1315.75 1342.42 1371.70 1390.96 1394.09 1405.59 1422.53 1432.44 1454.49 1471.81 1482.34 1496.13 1511.43 1533.34 1534.61 1559.03 1578.49 1588.52 1595.21 1597.29 1606.58 1623.98 1626.67 1648.94 1667.66 1675.39 1694.89 1708.89 1727.00 1735.23 1743.53 1747.50 1751.17 1766.74 1780.58 1799.80 1805.14 1813.82 1830.82 1838.79 1872.28 1886.03 1904.93 1910.20 1925.58 1931.21 1963.62 1987.47 1998.76 2006.16 2018.66 2048.14 2050.62 2051.98 2058.45 2061.69 2099.62 2110.54 2116.27 2122.56 2142.91 2150.84 2171.38 2173.60 2207.07 2210.55 2213.98 2244.04 2247.86 2249.25 2256.38 2275.33 2288.09 2288.91 2298.47 2302.49 2337.31 2338.84 2343.33 2347.03 2349.98 2355.59 2363.15 2367.39 2370.78 2372.06 2378.30 2380.13 2389.97 2417.56 2567.68 2589.91 2610.57 2611.09 2643.46 2864.91 2957.42 4622.36 4624.37 4632.01 4638.07 4642.11 4656.10 4676.30 4694.20 4694.47 4701.46 4708.73 4708.89 4727.56 4741.74 4744.17 4760.90 4762.10 4786.68 4799.19 4806.00 4808.84 4849.63 4861.08 4867.94 4874.99 4882.46 4891.84 4894.15 4903.39 4948.03 5285.25 5543.16 0.617206 0.646058 0.647002 0.553405 -1615.840853 -1615.812001 -1615.811056 -1615.904653 3.139259D-04 MUNgauss RevisionA2.0 retrievium 07-Jan-2020 DUDE CC[C@]1(C(=O)N(C(=O)N1)C[C@H]2COc3ccccc3O2)C4CC[NH+](CC4)Cc5cc6ccccc6o5 C12020012 RHF 6-31G(d) (6D,10F) C1 490.234196 |X|Y|Z| 41.406267 37.248720 165.920854 63.488169 32 6 7 8 26 3 3 |36.858105| |12.448870|36.858105| |7.341331|12.339621|36.858105| |6.328167|7.572874|12.425519|36.858105| |5.277773|6.161204|7.863377|16.021463|73.516695| |5.538906|5.656693|8.158110|13.963055|14.784460|53.358707| |5.544230|5.658784|8.134221|8.360111|9.880153|18.697854|36.858105| |4.504239|4.337645|5.461013|5.577802|7.492877|11.313115|16.038568|73.516695| |6.234944|7.608550|13.101153|8.268597|9.799854|11.670625|13.871046|14.756839|53.358707| |4.253309|4.080169|5.072488|7.605541|11.520657|17.817241|7.632315|11.759742|7.167829|36.858105| |4.309143|3.746960|4.166138|5.539243|8.847886|10.473317|5.910992|10.151127|5.910387|12.532449|36.858105| |4.463300|3.752911|4.104147|4.999612|7.609937|9.579241|6.423235|12.171332|6.214426|8.864745|17.562941|0.500000| |3.237487|2.897225|3.163209|3.987553|6.810360|6.789738|4.159739|7.525072|4.454377|7.562318|12.531530|0.248203|36.858105| |3.045031|2.643788|2.760408|3.307087|5.681491|5.334786|3.473362|6.376669|3.878490|5.095700|7.985635|0.202344|13.613473|73.516695| |3.338731|2.803105|2.814068|3.351845|5.861388|5.150240|3.326245|5.895291|3.839113|4.588240|7.025495|0.177855|8.203706|24.914619|36.858105| |2.867097|2.425576|2.383962|2.737212|4.838720|4.064629|2.711618|4.834867|3.239357|3.441319|4.658363|0.124615|5.318694|14.330835|13.758538|36.858105| |2.891397|2.421620|2.308943|2.603454|4.660249|3.727116|2.499635|4.377117|3.076618|3.017477|3.869515|0.103999|4.053560|9.334156|7.951000|13.785510|36.858105| |3.416449|2.790896|2.586006|2.921932|5.288880|4.060791|2.686183|4.580625|3.359627|3.189206|4.024729|0.106664|3.894192|8.204618|6.880740|7.941109|13.725334|36.858105| |4.315207|3.416152|3.163878|3.707603|6.713960|5.140192|3.279371|5.451383|4.043901|4.033540|5.273278|0.134696|4.686819|9.281024|7.939258|6.876558|7.940919|13.782885|36.858105| |4.242482|3.430354|3.368247|4.130093|7.281570|6.162292|3.814219|6.434707|4.441935|5.268752|8.116306|0.192981|7.073837|14.164814|13.744263|7.940927|6.882444|7.952023|13.761400|36.858105| |5.059108|4.158187|4.290167|5.760770|9.854711|9.050532|5.047178|8.088314|5.601301|8.075048|13.538767|0.259111|7.971926|12.111531|7.946384|5.211588|4.609032|5.244129|8.050339|13.951274|73.516695| |4.816652|7.435323|12.277536|7.608703|11.451329|7.503016|5.431189|7.360346|10.394110|3.985842|3.257917|0.087829|2.644264|4.125032|2.342307|2.031217|1.977488|2.187686|2.591366|2.716966|5.883317|36.858105| |3.696861|4.844625|7.420853|6.539548|10.281187|7.343799|5.215873|7.354447|8.619713|4.124450|3.201351|0.085196|2.670704|4.076048|2.252334|1.947108|1.864400|2.020536|2.367447|2.544722|5.511807|12.396519|36.858105| |2.948601|3.735263|4.853030|4.394144|7.546569|5.154429|3.700766|5.604786|5.865688|3.158044|2.570568|0.068583|2.234155|3.476001|1.924846|1.698144|1.638745|1.764924|2.023141|2.138420|4.470485|7.497721|12.512276|36.858105| |2.798389|3.548109|4.325425|3.641477|6.095150|4.387239|3.326704|5.171754|5.466813|2.691291|2.274889|0.062054|1.984955|3.150473|1.753547|1.565694|1.521295|1.636269|1.854080|1.936644|3.973639|6.426073|7.649119|12.692618|53.358707| |2.767474|3.440844|4.253155|3.548420|5.761464|4.442585|3.497367|5.529575|5.765059|2.718974|2.297544|0.063446|2.003217|3.177810|1.754628|1.564360|1.511197|1.615109|1.826874|1.923813|3.948408|5.871121|7.158266|9.306930|25.657413|0.500000| |3.177033|4.232910|4.849334|3.780028|6.292746|4.398971|3.361167|5.146851|5.804779|2.641447|2.285064|0.062752|1.967070|3.161281|1.787971|1.602448|1.574923|1.714386|1.947374|2.000721|4.087616|7.504896|6.545820|7.714128|17.267218|0.258876|36.858105| |4.186605|6.133171|7.405178|4.892689|7.616862|5.527644|4.367469|6.392916|8.425947|3.126744|2.690371|0.074632|2.242336|3.588414|2.039374|1.805333|1.771228|1.945119|2.247516|2.319575|4.832255|12.408048|7.634714|6.536377|10.395653|0.198768|12.501680|36.858105| |2.309310|2.810950|3.240635|2.869457|4.950800|3.531880|2.645735|4.238987|4.152251|2.256955|1.946873|0.053020|1.739162|2.788315|1.551435|1.402094|1.366851|1.460919|1.631954|1.693165|3.409016|4.337358|4.960510|7.633077|17.226641|0.260937|7.600797|4.948141|36.858105| |2.135021|2.549144|2.847980|2.489181|4.235027|3.132428|2.404900|3.935817|3.773485|2.014398|1.772566|0.048907|1.591163|2.580715|1.436495|1.308242|1.278172|1.360543|1.506413|1.556668|3.097813|3.596468|3.870562|5.036461|10.561022|0.210293|6.247023|4.349049|12.829295|36.858105| |1.951912|2.296319|2.477436|2.179595|3.741180|2.747681|2.102834|3.471301|3.269771|1.786458|1.599169|0.044221|1.445501|2.368940|1.325662|1.217767|1.196922|1.273722|1.398648|1.432520|2.817148|3.023984|3.116173|3.829724|7.150146|0.140559|4.949578|3.641728|7.354562|14.289480|36.858105| |1.839002|2.123403|2.276887|2.003420|3.399006|2.575747|2.003587|3.364020|3.092408|1.683943|1.521075|0.042447|1.380170|2.274054|1.268267|1.169011|1.146894|1.213814|1.325997|1.360893|2.661440|2.679869|2.751837|3.207907|5.738601|0.121626|4.026500|3.223075|5.152593|8.580477|13.129937|36.858105| |1.668152|1.892252|1.991023|1.767700|3.008085|2.289333|1.780497|3.020028|2.716141|1.511900|1.383459|0.038736|1.263806|2.099594|1.173163|1.088949|1.071481|1.130763|1.225904|1.252625|2.426351|2.277860|2.304406|2.602480|4.408424|0.092930|3.197599|2.691612|3.758975|5.287004|7.240523|13.658408|36.858105| |1.598215|1.788136|1.881691|1.676559|2.832766|2.201862|1.729314|2.971240|2.615670|1.461394|1.344553|0.037882|1.232350|2.053861|1.143495|1.063386|1.043680|1.096103|1.184474|1.213928|2.343683|2.106837|2.137747|2.353718|3.893259|0.084213|2.807594|2.464070|3.175154|4.217055|5.012835|8.016715|13.830485|36.858105| |1.662407|1.855579|1.980256|1.760468|2.943522|2.338693|1.859888|3.222173|2.808394|1.549274|1.419680|0.040189|1.299060|2.157915|1.194390|1.106431|1.080051|1.130859|1.225300|1.264725|2.451709|2.203438|2.265914|2.466213|4.079260|0.091394|2.875019|2.573771|3.234031|4.248661|4.568786|6.906751|7.869229|13.592749|36.858105| |1.827287|2.066109|2.253470|1.987371|3.297761|2.640181|2.113506|3.642847|3.220686|1.732484|1.566959|0.044310|1.424378|2.345736|1.293543|1.189369|1.156113|1.212395|1.323306|1.374413|2.690365|2.550012|2.674611|2.945635|5.022656|0.117132|3.408859|3.010136|3.962384|5.405064|5.297470|7.806661|6.711292|7.844188|13.802851|36.858105| |1.933419|2.231727|2.448317|2.143246|3.582318|2.792564|2.206985|3.729680|3.412250|1.816548|1.627850|0.045647|1.471993|2.412093|1.335749|1.224417|1.193359|1.258976|1.380914|1.430176|2.815176|2.873403|3.025352|3.488128|6.335008|0.145457|4.205823|3.462680|5.366086|8.740385|8.444731|13.755186|7.936863|6.999023|8.131640|13.783553|36.858105| |2.127268|2.504508|2.834985|2.468108|4.112464|3.187324|2.509281|4.175487|3.923376|2.049135|1.802679|0.050237|1.617929|2.622241|1.448499|1.316712|1.278738|1.353080|1.497205|1.559680|3.107109|3.461871|3.792947|4.607991|9.140375|0.223174|5.364549|4.184986|7.980694|13.998039|8.504458|8.463761|5.354693|4.678387|5.230560|7.785562|13.990083|73.516695| |17.561971|8.730044|6.594239|5.604558|7.994833|7.539579|6.226369|9.392490|9.263858|4.269971|4.422475|0.135785|3.299505|5.560025|3.358362|2.878201|2.848284|3.264062|4.024270|4.118693|8.630940|4.393797|3.523979|2.811029|3.683511|0.076043|3.022923|3.977121|2.236721|2.097284|1.914961|1.829847|1.665534|1.612178|1.692534|1.862009|1.944767|3.782357|0.500000| |17.596068|8.728460|6.611085|7.038612|10.870047|8.472174|5.553160|8.021349|7.585732|4.975565|5.262700|0.145331|3.797134|6.307467|4.003505|3.330041|3.349043|4.070200|5.540814|5.465853|12.211587|4.445235|3.590643|2.856619|3.584624|0.071979|2.902061|3.683411|2.196393|2.009067|1.833805|1.722299|1.563653|1.498204|1.557564|1.710626|1.809214|3.548736|0.301500|0.500000| |17.577170|8.868124|5.423991|4.770287|7.642861|5.755475|4.232484|6.466977|6.413372|3.476963|3.609942|0.103572|2.852971|4.915097|3.087164|2.746130|2.855194|3.428426|4.175925|3.860657|7.604796|4.046256|3.158955|2.630398|3.462966|0.069469|2.923895|3.717645|2.145643|2.007184|1.863749|1.760480|1.612710|1.544528|1.593430|1.731970|1.829530|3.531797|0.303029|0.302448|0.500000| |8.898104|17.547164|8.851507|5.522021|8.280620|6.171671|4.883816|7.032521|9.303242|3.418307|3.177796|0.090333|2.537714|4.178340|2.471593|2.181952|2.186711|2.485275|2.942031|2.933142|6.084342|6.804104|4.479946|3.621597|4.968338|0.099298|4.579943|6.905923|2.894183|2.689930|2.443614|2.275197|2.030484|1.918390|1.987872|2.209078|2.386292|4.714726|0.211355|0.173059|0.216082|0.500000| |8.857491|17.562955|8.909647|6.864671|11.594689|6.642358|4.535453|6.394948|7.614443|3.742825|3.442281|0.092792|2.738966|4.460183|2.691023|2.355006|2.384640|2.782857|3.391395|3.309251|6.996502|7.031847|4.629952|3.729668|4.747054|0.090960|4.206070|5.667599|2.815180|2.516844|2.286458|2.081989|1.857024|1.737197|1.781360|1.971380|2.152416|4.293056|0.172651|0.209998|0.214926|0.303228|0.500000| |6.054396|6.992597|8.863976|5.914151|7.772761|8.364663|9.451550|13.239229|25.999601|4.296430|3.800144|0.114694|2.950305|4.706092|2.635105|2.264347|2.166950|2.356998|2.784798|3.005180|6.464129|6.195805|5.105536|3.800763|5.123561|0.112306|4.110771|5.952379|2.914424|2.736035|2.400284|2.308887|2.043871|1.985421|2.142078|2.446070|2.556932|5.130060|0.199488|0.141205|0.132387|0.199116|0.141252|0.500000| |3.586834|3.511870|4.394045|5.846637|8.942348|12.569131|7.122625|12.480532|6.626724|17.615127|8.886767|0.211290|6.967255|8.411245|4.026906|3.122974|2.711082|2.786491|3.370733|4.287022|10.264315|3.646908|3.969498|3.096506|3.608225|0.075640|2.539634|2.952107|2.240200|2.010312|1.775152|1.685916|1.513489|1.471794|1.572318|1.764884|1.835953|3.683817|0.102855|0.110917|0.083381|0.084904|0.089165|0.113047|0.500000| |3.877188|3.841274|4.704693|7.370671|13.221034|12.654593|5.724789|8.726338|6.114874|17.638516|8.881069|0.174041|6.825613|8.339932|4.347181|3.326801|2.958582|3.151589|3.972467|5.031190|13.130423|3.920759|4.132323|3.228803|3.652568|0.073925|2.614907|3.023244|2.273362|2.001260|1.776525|1.658121|1.486664|1.427692|1.503298|1.677738|1.774056|3.569414|0.103577|0.126982|0.090279|0.089093|0.102521|0.102823|0.299829|0.500000| |2.910190|2.662318|2.959154|3.620863|6.074699|6.272576|4.048603|7.685337|4.295327|6.800444|8.813926|0.213959|17.629465|16.945941|5.938475|4.374309|3.414450|3.236118|3.735708|5.124418|10.160867|2.521032|2.604718|2.194667|2.663052|0.055367|1.914054|2.164746|1.721406|1.581542|1.433462|1.376279|1.260849|1.235249|1.309063|1.437691|1.476768|2.883336|0.083835|0.091607|0.071458|0.065915|0.069389|0.079634|0.205208|0.165459|0.500000| |3.025912|2.777002|3.036536|3.905497|7.026648|6.289359|3.721835|6.488311|4.129487|6.920358|8.858422|0.174306|17.526656|16.559221|7.057086|4.940629|3.904806|3.798061|4.538326|6.456929|12.773988|2.602589|2.655182|2.246358|2.682956|0.054726|1.943381|2.186733|1.738601|1.577850|1.434087|1.360561|1.244385|1.207919|1.267674|1.389057|1.443844|2.828800|0.083282|0.098856|0.074812|0.067335|0.074659|0.075395|0.173302|0.204673|0.299520|0.500000| |2.507519|2.164140|2.151258|2.442217|4.301325|3.650440|2.475131|4.488068|2.958715|3.101645|4.055130|0.110416|4.867695|13.205921|8.994493|17.735736|8.864575|5.631340|4.955667|5.667025|7.505995|1.859897|1.804497|1.587919|1.999557|0.040917|1.493276|1.667916|1.324288|1.240557|1.156722|1.114790|1.041477|1.020391|1.063058|1.140208|1.168811|2.227092|0.070650|0.079017|0.066787|0.054735|0.058248|0.057764|0.080653|0.083224|0.118010|0.125736|0.500000| |2.532871|2.155945|2.051677|2.273625|4.075288|3.230151|2.198850|3.873265|2.740904|2.583453|3.191743|0.086843|3.369885|7.541797|5.656558|8.944663|17.730931|8.897632|5.646457|4.957971|6.503349|1.785091|1.688338|1.501681|1.910188|0.038731|1.452304|1.618502|1.270975|1.194438|1.124200|1.080112|1.013703|0.989003|1.021323|1.088220|1.120584|2.123705|0.069533|0.079472|0.070409|0.054837|0.059208|0.054064|0.065641|0.070640|0.081701|0.091045|0.213619|0.500000| |3.236422|2.671322|2.426392|2.679198|4.886436|3.635768|2.435062|4.131223|3.119363|2.780549|3.348731|0.089624|3.209025|6.510001|4.956942|5.646486|8.897154|17.728882|8.942581|5.656646|7.535403|2.082685|1.907888|1.685390|2.142927|0.043001|1.661822|1.873712|1.413805|1.321077|1.244253|1.185058|1.107799|1.072227|1.101181|1.175506|1.222168|2.325476|0.084809|0.104306|0.093243|0.066873|0.075067|0.061299|0.068147|0.076901|0.076199|0.087960|0.123737|0.214142|0.500000| |5.093823|3.951633|3.508609|4.082494|7.528950|5.355459|3.388851|5.462507|4.314132|3.974594|4.824580|0.123337|4.070163|7.511506|5.662515|4.955193|5.633751|8.874794|17.730955|8.980416|13.176914|2.847215|2.533481|2.157085|2.690868|0.053690|2.105964|2.451153|1.730278|1.590816|1.477468|1.392566|1.284015|1.234360|1.272419|1.375614|1.444557|2.791563|0.124151|0.189825|0.139791|0.092627|0.111747|0.082213|0.091080|0.110135|0.092610|0.111252|0.107597|0.123801|0.213956|0.500000| |4.618346|7.041160|8.961491|6.993564|12.365931|6.585140|4.448721|6.228946|7.656483|3.704828|3.092322|0.081705|2.549064|4.005724|2.307014|2.015181|1.984470|2.218579|2.626936|2.699772|5.777659|17.540331|8.912913|6.844981|7.753517|0.136118|6.831742|8.876144|4.155105|3.390629|2.920113|2.541781|2.178675|1.994814|2.051433|2.336533|2.650194|5.590658|0.111622|0.121665|0.111587|0.172748|0.220348|0.132597|0.092482|0.105344|0.066666|0.070935|0.051049|0.049836|0.059181|0.081441|0.500000| |3.613474|4.520161|6.737506|7.420075|12.570343|8.199122|5.205497|7.324586|7.685321|4.763506|3.525156|0.090791|2.948946|4.402014|2.418184|2.067993|1.966068|2.128587|2.515491|2.740464|6.039698|8.770626|17.596366|9.051877|7.628617|0.145548|4.915111|5.526037|4.146641|3.280857|2.717880|2.416691|2.060277|1.921663|2.026476|2.353552|2.622436|5.688188|0.094558|0.101747|0.085464|0.111000|0.123321|0.124295|0.125843|0.139360|0.079448|0.082961|0.053117|0.049193|0.055423|0.074477|0.215994|0.500000| |3.573937|4.474398|6.822528|5.927409|8.743197|7.568093|5.931191|8.535993|9.730039|4.233293|3.266647|0.088967|2.722642|4.141981|2.253252|1.943038|1.842107|1.973956|2.301293|2.508888|5.426637|8.797271|17.542548|8.881693|9.347323|0.209392|5.704545|6.816815|4.607896|3.804733|3.045104|2.776085|2.328518|2.197496|2.378307|2.848228|3.151812|7.041616|0.098646|0.095660|0.084342|0.117788|0.113010|0.160358|0.118202|0.112643|0.075170|0.073854|0.050336|0.046374|0.051489|0.067417|0.174060|0.302885|0.500000| |2.863169|3.626180|4.467001|4.179341|7.621889|4.749666|3.296834|5.002508|5.138654|2.971525|2.456916|0.064820|2.153206|3.371245|1.886148|1.673542|1.628045|1.763801|2.017556|2.106015|4.366773|6.741846|8.770590|17.603176|12.430840|0.181780|7.062075|5.769911|7.029150|4.617615|3.691604|3.019478|2.484495|2.220628|2.277754|2.654958|3.149567|7.102830|0.074256|0.077763|0.071994|0.096719|0.105134|0.093158|0.079472|0.086391|0.058152|0.060866|0.043362|0.041517|0.047072|0.060210|0.200934|0.215635|0.173133|0.500000| |2.608065|3.164258|4.033133|3.853594|6.659203|4.762152|3.420543|5.341406|5.153892|3.036466|2.463698|0.065633|2.184438|3.384709|1.851566|1.636807|1.568475|1.671089|1.901006|2.026671|4.208448|5.469092|8.805815|17.625805|12.381161|0.223790|5.624475|4.901302|7.186072|4.846528|3.670113|3.128985|2.545951|2.323785|2.457793|2.952824|3.457838|8.163201|0.070054|0.071106|0.064944|0.085000|0.087058|0.093641|0.084939|0.086610|0.060388|0.061247|0.042831|0.040045|0.044196|0.055615|0.140023|0.215009|0.215613|0.301167|0.500000| |3.074478|4.082594|4.473737|3.648040|6.349523|4.145922|3.054155|4.673958|5.105403|2.532903|2.206701|0.059894|1.913145|3.084703|1.758433|1.582998|1.566614|1.714748|1.944232|1.976112|4.012664|6.771931|5.796684|7.089721|12.453266|0.182088|17.600842|8.784515|7.003222|5.489569|4.653564|3.666287|2.982074|2.586637|2.585700|2.976832|3.644097|7.920885|0.079342|0.079049|0.079828|0.119775|0.119256|0.099028|0.066886|0.070956|0.051323|0.053039|0.040887|0.040192|0.046441|0.058829|0.201373|0.130179|0.133028|0.215038|0.144914|0.500000| |2.884012|3.696863|4.025791|3.191331|5.302794|3.837178|2.989242|4.706079|5.077000|2.347805|2.072148|0.057504|1.801839|2.928284|1.656436|1.498020|1.476412|1.599783|1.797136|1.837149|3.698571|5.469843|4.903166|5.624979|12.373038|0.223665|17.651130|8.788047|7.150471|7.209945|5.981999|4.869607|3.777860|3.250647|3.291095|3.906453|4.977082|10.893366|0.077482|0.072618|0.075181|0.114719|0.100843|0.104054|0.063236|0.064057|0.048927|0.049223|0.038951|0.038039|0.043268|0.053715|0.139810|0.108081|0.127820|0.144692|0.126819|0.301213|0.500000| |4.040845|5.507245|6.801063|4.559021|6.838226|5.538369|4.705429|7.051865|9.426745|3.128031|2.701298|0.076481|2.250081|3.605116|2.027477|1.793351|1.746050|1.898361|2.183037|2.279150|4.737661|8.793893|6.817803|5.701366|9.346362|0.209646|8.885333|17.521576|4.601339|4.295440|3.572284|3.305663|2.765648|2.588126|2.773645|3.300626|3.701016|7.917856|0.112490|0.098002|0.098866|0.175823|0.132454|0.200187|0.083793|0.081899|0.061061|0.060154|0.046264|0.044367|0.050541|0.065240|0.173570|0.139153|0.199217|0.132642|0.127943|0.173294|0.215041|0.500000| |4.512679|6.809534|6.691769|4.468186|7.102871|5.035814|3.951772|5.874744|7.440144|2.895382|2.575718|0.071861|2.149252|3.495414|2.015563|1.800111|1.787769|1.981437|2.280557|2.307550|4.734313|8.738410|5.516797|4.906249|7.625058|0.145716|9.055848|17.603528|4.138342|3.813001|3.378426|3.025916|2.594665|2.376501|2.443114|2.779841|3.154133|6.447471|0.116628|0.106342|0.115369|0.242863|0.178282|0.153982|0.074969|0.077749|0.057144|0.058116|0.046023|0.045491|0.053527|0.069886|0.213720|0.123026|0.139053|0.129491|0.107984|0.215456|0.215428|0.303483|0.500000| |2.268511|2.766488|3.107186|2.784338|4.921770|3.366411|2.472791|3.941679|3.858908|2.166077|1.883336|0.050952|1.687754|2.717380|1.523288|1.382230|1.355903|1.455732|1.623036|1.668841|3.342733|4.153880|4.521832|6.752434|12.289268|0.182046|7.117917|4.625213|17.644947|8.924405|6.790919|4.591490|3.508019|2.921101|2.882498|3.374078|4.416351|10.222658|0.060196|0.060170|0.059132|0.078764|0.078899|0.074985|0.059035|0.061296|0.046072|0.047176|0.036191|0.035076|0.039328|0.048058|0.116971|0.108830|0.111747|0.203383|0.169318|0.216435|0.182829|0.113960|0.112145|0.500000| |2.164598|2.583083|3.018536|2.768280|4.804254|3.468696|2.576765|4.170476|3.930552|2.256838|1.932203|0.052386|1.744016|2.780949|1.534811|1.385589|1.342978|1.426239|1.590250|1.662529|3.347790|3.910913|4.772316|7.413891|12.425072|0.220360|5.603180|4.160634|17.602604|8.965365|5.864136|4.513034|3.413317|2.964506|3.068316|3.761480|4.864562|12.532528|0.058527|0.057949|0.055629|0.072574|0.071625|0.075851|0.063004|0.063509|0.048281|0.048631|0.036497|0.034704|0.038200|0.046500|0.103843|0.115423|0.126004|0.185218|0.233453|0.146156|0.144044|0.110442|0.097206|0.300399|0.500000| |1.886852|2.215119|2.351060|2.087961|3.633435|2.609052|1.970936|3.242778|3.047664|1.706081|1.535650|0.042274|1.392700|2.290214|1.287996|1.187658|1.172806|1.251124|1.369960|1.393997|2.728373|2.859401|2.897414|3.549619|6.283604|0.118123|4.558005|3.378101|6.342819|8.853632|17.784838|8.393926|6.149739|4.310926|3.793243|4.139569|5.775348|10.354893|0.050964|0.049409|0.050451|0.065236|0.062204|0.061862|0.046788|0.047459|0.038196|0.038553|0.031310|0.030658|0.034090|0.040316|0.078763|0.071375|0.077025|0.099105|0.093657|0.127439|0.148350|0.089460|0.089192|0.187944|0.143117|0.500000| |1.593276|1.801263|1.872926|1.673100|2.870987|2.155924|1.662150|2.813093|2.525758|1.430187|1.315282|0.036726|1.205163|2.009176|1.126925|1.050014|1.037159|1.095863|1.184142|1.203679|2.320850|2.135313|2.139214|2.413106|4.006933|0.082405|2.961301|2.497610|3.425854|4.561419|6.390726|8.836690|17.730183|8.909483|5.606211|4.868483|5.632794|7.685657|0.043940|0.041575|0.043080|0.053593|0.049552|0.052632|0.039594|0.039237|0.033297|0.033058|0.027892|0.027317|0.029928|0.034504|0.057551|0.053628|0.059303|0.065207|0.065279|0.078848|0.096109|0.070048|0.067854|0.092313|0.086418|0.172090|0.500000| |1.487736|1.647559|1.716534|1.540123|2.611060|2.028321|1.588435|2.741749|2.383982|1.355202|1.256356|0.035431|1.156923|1.938069|1.080556|1.009553|0.992848|1.040759|1.119097|1.143565|2.194481|1.897138|1.912473|2.081720|3.364247|0.072050|2.453204|2.191449|2.710046|3.435549|4.031116|5.676709|8.963075|17.736587|8.899439|5.623013|5.018978|6.581606|0.041713|0.038815|0.040170|0.049020|0.044562|0.050339|0.037883|0.036792|0.032207|0.031501|0.026961|0.026215|0.028345|0.032341|0.050224|0.048235|0.054449|0.055046|0.057103|0.063654|0.077767|0.063613|0.059385|0.070577|0.070904|0.101463|0.214971|0.500000| |1.580961|1.742165|1.851982|1.657887|2.766875|2.223984|1.775346|3.109298|2.652330|1.483458|1.368355|0.038896|1.257766|2.097513|1.158456|1.076183|1.049210|1.094138|1.180976|1.220356|2.355229|2.023860|2.078702|2.221283|3.578401|0.080196|2.532529|2.329578|2.774426|3.465381|3.634473|4.971002|5.632807|8.897579|17.732756|8.972971|5.729353|7.445555|0.044988|0.041224|0.042164|0.051710|0.046278|0.056451|0.041975|0.039844|0.035321|0.034000|0.028809|0.027617|0.029584|0.033930|0.052305|0.052122|0.060996|0.057044|0.061752|0.063619|0.079020|0.070103|0.061774|0.069352|0.074170|0.086828|0.123910|0.216264|0.500000| 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