Version2.0 2019-11-28T03:55:43Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 21-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCC[C@@H](c1nnnn1Cc2ccccc2)[NH+](Cc3cc4cc(ccc4[nH]c3=O)C)C5CCCCC5 C13500160 RHF 6-31G(d) (6D,7F) CCC[C@@H](c1nnnn1Cc2ccccc2)[NH+](Cc3cc4cc(ccc4[nH]c3=O)C)C5CCCCC5 C01[X(C29H37N6O1)] 213 C1 614 CCC[C@H]([NH+](C1CCCCC1)Cc1cc2cc(C)ccc2[nH]c1=O)c1nnnn1Cc1ccccc1 CCC[C@H]([NH+](C1CCCCC1)Cc1cc2cc(C)ccc2[nH]c1=O)c1nnnn1Cc1ccccc1 CCC[C@H]([NH+](CC1=Cc2cc(C)ccc2NC1=O)C3CCCCC3)c4nnnn4Cc5ccccc5 InChIKey=AZKHJGXANADXLM-MHZLTWQESA-O InChI=1S/C29H36N6O/c1-3-10-27(28-31-32-33-35(28)19-22-11-6-4-7-12-22)34(25-13-8-5-9-14-25)20-24-18-23-17-21(2)15-16-26(23)30-29(24)36/h4,6-7,11-12,15-18,25,27H,3,5,8-10,13-14,19-20H2,1-2H3,(H,30,36)/p+1/t27-/m0/s1 InChI=1/C29H36N6O/c1-3-10-27(28-31-32-33-35(28)19-22-11-6-4-7-12-22)34(25-13-8-5-9-14-25)20-24-18-23-17-21(2)15-16-26(23)30-29(24)36/h4,6-7,11-12,15-18,25,27H,3,5,8-10,13-14,19-20H2,1-2H3,(H,30,36)/p+1/t27-/m0/s1/fC29H37N6O/h30,34H/q+1 CCC[C@@H](c1nnnn1Cc2ccccc2)[NH+](Cc3cc4cc(ccc4[nH]c3=O)C)C5CCCCC5 C01[X(C29H37N6O1)] 213 C01 614 CCC[C@H]([NH+](C1CCCCC1)Cc1cc2cc(C)ccc2[nH]c1=O)c1nnnn1Cc1ccccc1 CCC[C@H]([NH](C1CCCCC1)Cc1cc2cc(C)ccc2[nH]c1=O)[C@H]1NNNN1Cc1ccccc1 CCC[C@@H]([C@H]1NNNN1Cc2ccccc2)[NH](CC3=Cc4cc(C)ccc4NC3=O)C5CCCCC5 InChIKey=ORNBEUIZPBLHPT-NSOVKSMOSA-N InChI=1S/C29H41N6O/c1-3-10-27(28-31-32-33-35(28)19-22-11-6-4-7-12-22)34(25-13-8-5-9-14-25)20-24-18-23-17-21(2)15-16-26(23)30-29(24)36/h4,6-7,11-12,15-18,25,27-28,31-34H,3,5,8-10,13-14,19-20H2,1-2H3,(H,30,36)/t27-,28-/m0/s1 InChI=1/C29H41N6O/c1-3-10-27(28-31-32-33-35(28)19-22-11-6-4-7-12-22)34(25-13-8-5-9-14-25)20-24-18-23-17-21(2)15-16-26(23)30-29(24)36/h4,6-7,11-12,15-18,25,27-28,31-34H,3,5,8-10,13-14,19-20H2,1-2H3,(H,30,36)/t27-,28-/m0/s1/f/h30H 3981.8114617811 -1521.0772637 1-A 19360.2679 130 484 614 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.62075 -15.82032 -15.79217 -15.76517 -15.74980 -15.71625 -15.70923 -11.45537 -11.45455 -11.45156 -11.41684 -11.41260 -11.40780 -11.39057 -11.37554 -11.37301 -11.35881 -11.35755 -11.35389 -11.34843 -11.34658 -11.34406 -11.34048 -11.34003 -11.33945 -11.33757 -11.33750 -11.33328 -11.33288 -11.33132 -11.32823 -11.32682 -11.32454 -11.31905 -11.31808 -11.29836 -1.63205 -1.49466 -1.45847 -1.39176 -1.37494 -1.33079 -1.26979 -1.25418 -1.24587 -1.23020 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2396.27 2402.73 2404.98 2406.81 2495.66 2560.98 2569.29 2601.98 2604.40 2647.77 2761.40 4594.92 4602.44 4605.06 4612.14 4614.74 4618.95 4619.87 4651.35 4667.59 4680.04 4688.66 4693.15 4695.86 4699.79 4703.28 4712.34 4717.40 4734.30 4735.90 4744.13 4764.87 4785.76 4792.63 4793.43 4795.37 4829.56 4834.94 4839.13 4841.72 4849.75 4859.01 4866.84 4874.37 4891.30 4895.51 5313.36 5523.81 0.679656 0.710387 0.711331 0.614685 -1520.397608 -1520.366877 -1520.365932 -1520.462579 3.241556D-04 MUNgauss RevisionA1.9 retrievium 28-Nov-2019 DUDE CCC[C@@H](c1nnnn1Cc2ccccc2)[NH+](Cc3cc4cc(ccc4[nH]c3=O)C)C5CCCCC5 C13500160 RHF 6-31G(d) (6D,10F) C1 485.302855 |X|Y|Z| 49.774927 62.716802 113.795057 70.822727 31 6 7 25 6 |36.858105| |12.458036|36.858105| |7.535611|12.425433|36.858105| |4.833266|7.294393|12.358400|36.858105| |4.571166|6.845351|8.931643|17.674733|0.500000| |3.769826|4.843325|7.500718|12.629176|0.251745|36.858105| |3.145754|3.869700|5.372526|7.715386|0.168031|14.721112|53.358707| |2.728233|3.189107|4.226389|5.341146|0.128866|9.037124|19.411382|53.358707| |2.825568|3.255851|4.348806|5.264148|0.132979|8.898592|12.218078|20.782334|53.358707| |3.433865|4.106682|5.893965|7.439994|0.187301|14.292185|12.193527|12.416680|19.466673|53.358707| |3.502397|4.008389|5.331117|5.793303|0.164850|7.396168|7.247641|7.479369|10.725615|17.662817|36.858105| |3.459343|4.071083|4.928325|5.583206|0.185788|5.987942|6.046653|5.879122|7.373536|10.438076|12.587355|36.858105| |3.875810|4.427971|4.873312|4.936483|0.166676|4.658598|4.873103|4.611903|5.441870|7.203770|7.568893|13.736471|36.858105| |3.418549|3.879408|3.932105|4.074468|0.140189|3.730627|4.118739|3.884612|4.399549|5.441858|5.016607|7.906307|13.714256|36.858105| |2.868623|3.312254|3.404734|3.768826|0.130614|3.549105|4.048866|3.851096|4.296057|5.118878|4.433982|6.844609|7.936205|13.776771|36.858105| |2.685064|3.152517|3.421117|4.032455|0.139203|4.041476|4.649737|4.502036|5.077266|5.969078|5.019549|7.912154|6.880232|7.940749|13.710673|36.858105| |2.887888|3.422509|3.981577|4.850907|0.164579|5.295834|5.817519|5.753072|6.900341|8.555332|7.552441|13.673636|7.941959|6.872076|7.928939|13.775174|36.858105| |4.086326|5.880842|7.341183|12.498148|0.252501|7.831838|9.631015|6.466676|5.785242|6.955816|4.051881|3.997090|3.638394|3.253719|3.157322|3.381908|3.813773|53.358707| |3.403027|4.548300|5.681357|9.374093|0.209848|8.212031|11.980761|7.543326|6.337397|7.215112|4.009263|3.907249|3.417255|3.071290|3.069375|3.408951|3.895033|25.727499|0.500000| |4.099468|5.425815|6.526481|7.528694|0.155869|5.930011|8.168790|5.810483|5.083894|5.758637|3.420240|3.216003|3.000146|2.682992|2.562979|2.692301|3.009086|17.007173|0.262488|36.858105| |3.138223|3.838239|4.310898|4.955299|0.114270|4.482168|6.854451|5.212556|4.414523|4.675976|2.813031|2.664841|2.474737|2.268659|2.220956|2.354312|2.584156|10.144712|0.207097|12.632453|36.858105| |2.666965|3.177679|3.662104|4.345445|0.102605|4.371474|7.366475|5.763836|4.645300|4.668321|2.751230|2.574034|2.335128|2.139898|2.128130|2.303533|2.549681|8.112762|0.192416|7.576254|14.171626|36.858105| |2.250006|2.592575|2.875474|3.279057|0.080926|3.319113|5.408681|4.624845|3.828453|3.764276|2.297575|2.172444|1.992313|1.855453|1.860686|2.004330|2.178089|5.688041|0.130070|4.951548|7.810850|13.220775|36.858105| |1.978755|2.246149|2.503023|2.855915|0.071872|3.009958|4.979304|4.520019|3.719685|3.536857|2.168978|2.043872|1.857377|1.734530|1.756029|1.910743|2.077003|4.681787|0.108776|3.801120|5.112392|7.627376|13.564245|36.858105| |1.753388|1.955884|2.132955|2.377149|0.060898|2.473731|3.945320|3.680742|3.128869|2.982828|1.877330|1.784488|1.640482|1.547666|1.569974|1.694513|1.817214|3.798440|0.085682|3.050669|3.918450|5.075112|7.862827|13.880105|36.858105| |1.723877|1.908534|2.036887|2.227073|0.057283|2.252430|3.488476|3.213458|2.790639|2.713765|1.734309|1.662491|1.550819|1.472705|1.487060|1.584333|1.681668|3.578273|0.078492|2.927354|3.794213|4.536766|6.904984|8.012660|13.544451|36.858105| |1.885612|2.096691|2.211134|2.397548|0.061246|2.361517|3.607800|3.236953|2.824906|2.800618|1.791151|1.723022|1.620771|1.539135|1.543798|1.630956|1.727821|3.944558|0.084883|3.338237|4.532403|5.132477|7.901117|6.862105|7.828752|13.884814|36.858105| |2.178238|2.471616|2.638294|2.899682|0.072632|2.823093|4.363061|3.776962|3.246688|3.253188|2.044171|1.957550|1.832714|1.725773|1.722856|1.824773|1.951001|4.978679|0.107526|4.418813|6.786154|7.857897|13.697681|7.890048|6.788379|7.975214|13.646973|36.858105| |2.432478|2.769993|2.877075|3.085101|0.076900|2.870707|4.276019|3.625240|3.178676|3.272493|2.078566|2.004524|1.905693|1.797389|1.775847|1.854317|1.972321|5.407998|0.110775|5.083066|7.960912|6.987357|7.988521|5.192475|4.550168|5.202130|7.864914|13.796738|53.358707| |2.305442|2.573626|2.608332|2.733497|0.069177|2.529196|3.693381|3.190272|2.845938|2.936902|1.899305|1.843196|1.772082|1.684204|1.661178|1.718692|1.811053|4.635948|0.093403|4.216566|5.797220|5.115878|5.794947|4.261539|3.994268|4.789081|7.277767|9.238526|25.968795|0.500000| |2.940683|3.450503|3.578591|3.817614|0.092679|3.393188|4.946189|4.027676|3.543700|3.747486|2.360511|2.274205|2.170030|2.028159|1.981406|2.058870|2.205722|7.071653|0.137268|7.536443|12.936831|7.805240|6.681521|4.476918|3.743040|3.943487|5.144027|7.798899|19.051645|0.265106|36.858105| |3.232963|3.743474|3.658437|3.696312|0.090989|3.160277|4.400565|3.628618|3.285813|3.542574|2.289266|2.228309|2.173806|2.043867|1.973394|2.012933|2.134876|6.556284|0.119969|6.752869|8.060364|5.364622|4.694696|3.488239|3.044218|3.235724|4.086494|5.396832|11.569328|0.219549|15.774839|73.516695| |1.569119|1.732417|1.889655|2.096796|0.054403|2.218396|3.515465|3.404644|2.927840|2.745937|1.747299|1.660766|1.522566|1.441002|1.469849|1.592865|1.704010|3.242170|0.073021|2.528250|3.057648|3.793983|4.986017|7.548373|12.612659|7.530311|5.005430|4.413466|4.551462|0.084569|2.897166|4.367549|36.858105| |3.827627|5.481051|5.530176|7.590328|0.217579|5.200357|6.412256|4.891383|4.562044|5.371740|3.425651|3.655445|3.494885|3.336582|3.322616|3.458698|3.631085|16.832307|0.257707|7.203802|5.667779|4.634253|3.618884|3.030110|2.553291|2.463384|2.732240|3.349953|5.050986|0.091395|4.690802|8.186119|2.198396|36.858105| |3.112218|4.144150|4.339509|6.100966|0.198593|4.897694|6.169998|4.930460|4.642156|5.348254|3.448842|3.862579|3.574012|3.535405|3.772137|4.117363|4.172858|10.422037|0.216898|4.937179|4.359429|4.017691|3.293378|2.908050|2.473949|2.342430|2.516584|2.984478|4.258174|0.077803|3.653277|6.178799|2.182268|12.416937|36.858105| |2.796799|3.556135|3.460215|4.295206|0.139501|3.571836|4.527374|3.843989|3.708050|4.185895|2.858293|3.279091|3.193309|3.361015|3.683955|3.819049|3.575361|6.715198|0.134358|3.720801|3.428132|3.166127|2.755906|2.476350|2.183476|2.109854|2.264253|2.599970|3.736859|0.070436|3.106105|5.430051|1.953284|7.548890|12.419760|36.858105| |2.586829|3.194658|3.033121|3.572865|0.108006|3.011851|3.951329|3.373494|3.200344|3.528301|2.395958|2.641875|2.599562|2.698482|2.866404|2.923680|2.797298|5.887972|0.117002|3.574128|3.485057|3.171715|2.853843|2.527332|2.264819|2.242574|2.449476|2.794170|4.091693|0.078336|3.345432|5.916747|2.001113|6.449889|7.522428|12.459965|36.858105| |2.954071|3.700863|3.374977|3.831041|0.111191|3.094955|4.038996|3.379485|3.188014|3.549641|2.394641|2.577563|2.569902|2.605154|2.652478|2.660362|2.621011|6.628539|0.123526|4.240457|4.093772|3.482585|3.084257|2.626150|2.340848|2.362941|2.664662|3.111824|4.816986|0.092849|4.121609|7.650931|2.025460|7.627641|6.490615|7.562305|12.462034|36.858105| |3.313883|4.343868|4.150202|4.923923|0.134279|3.833973|5.073080|4.046865|3.722043|4.171856|2.705527|2.827144|2.748132|2.676226|2.678923|2.751091|2.826635|10.025395|0.177946|6.359640|6.050969|4.736876|3.910639|3.166931|2.716755|2.710742|3.111899|3.852859|6.129727|0.112079|5.746177|10.280761|2.289517|12.472903|7.578115|6.435645|7.498790|12.401714|36.858105| |17.583138|8.808501|5.487485|4.003801|0.108992|3.180554|3.709147|3.252005|3.345854|3.973851|2.993155|3.042698|3.454526|3.199392|2.714132|2.498628|2.612932|4.871325|0.083967|3.584052|2.858739|2.434474|2.094252|1.846055|1.654321|1.641970|1.801203|2.059681|3.151072|0.061833|2.766068|5.506611|1.483497|3.547474|2.916496|2.718329|2.561030|2.950948|3.190462|0.500000| |17.556925|8.768673|6.827797|4.459113|0.111781|3.631986|4.252321|3.699688|3.777261|4.479058|3.262133|3.097149|3.332704|2.927680|2.519759|2.411565|2.621066|5.333467|0.091699|4.224235|3.255685|2.750199|2.324128|2.033349|1.802346|1.778312|1.953805|2.261942|3.459386|0.067045|3.083582|6.072674|1.606549|3.533499|2.862910|2.550768|2.405584|2.764647|3.158952|0.302132|0.500000| |17.549539|8.765740|6.832683|4.524284|0.121986|3.714666|4.158821|3.704444|3.945508|4.838114|3.818294|3.753174|4.362932|3.735626|3.025812|2.796741|3.030377|4.974969|0.087122|3.560821|2.791075|2.444154|2.078327|1.858702|1.652387|1.612612|1.742340|1.992764|2.971104|0.057422|2.582771|4.924984|1.495193|3.398587|2.896286|2.614011|2.377668|2.631636|2.906161|0.301974|0.301382|0.500000| |8.901048|17.558800|8.767425|6.522303|0.166068|4.394973|5.059217|4.109812|4.059762|4.927681|3.405883|3.456583|3.643930|3.325920|2.964616|2.859198|3.050590|8.636785|0.131998|6.264796|4.374348|3.451440|2.808035|2.378906|2.070494|2.045126|2.285789|2.727447|4.288429|0.081484|4.059490|8.178912|1.809400|6.253933|4.338076|3.748701|3.513077|4.325544|5.256727|0.214851|0.211392|0.173373|0.500000| |8.859679|17.523535|8.845020|6.779981|0.207876|4.567287|4.925362|4.131330|4.285628|5.440549|4.066860|4.462258|5.143794|4.687460|3.905580|3.578751|3.765885|7.362091|0.119896|4.570878|3.416062|2.906739|2.409202|2.116732|1.855548|1.807055|1.969323|2.294538|3.455780|0.065852|3.087704|5.878152|1.657798|5.606035|4.469169|3.962473|3.430091|3.865464|4.297548|0.213161|0.172944|0.211100|0.303202|0.500000| |7.049942|8.953167|17.586294|9.057711|0.217822|7.165535|6.781639|5.740058|6.328819|9.023909|6.753984|5.929255|5.986747|4.438513|3.672615|3.657009|4.381284|7.478696|0.129580|4.865683|3.534839|3.149601|2.545382|2.275404|1.960271|1.861964|1.991984|2.330819|3.392549|0.063380|2.992563|5.394818|1.765800|4.438233|3.806123|3.129045|2.709401|2.917814|3.427645|0.143057|0.172871|0.210272|0.174061|0.213509|0.500000| |6.894330|8.803123|17.605909|8.753139|0.174099|6.778305|7.344590|5.809837|5.783939|7.313683|4.660710|4.069155|3.937479|3.247434|2.874605|2.922756|3.390481|8.998302|0.148140|7.202398|4.675085|3.925535|3.054989|2.633043|2.233625|2.136011|2.330500|2.802569|4.180475|0.076996|3.859438|6.991630|1.965208|4.775288|3.757461|3.035130|2.757522|3.103535|3.870001|0.140752|0.204674|0.169889|0.209036|0.173306|0.306678|0.500000| |4.001126|4.381824|5.892690|5.544421|0.151301|6.408663|6.410145|6.401065|8.437210|12.425767|17.630619|8.839963|7.287702|4.761629|3.972631|4.175877|5.572354|5.264069|0.102665|3.407092|2.759939|2.647337|2.216114|2.072645|1.804074|1.682905|1.750299|1.997000|2.796372|0.052449|2.348510|4.107820|1.672397|3.265108|3.149826|2.655895|2.272369|2.319746|2.621030|0.092607|0.103701|0.126158|0.100215|0.120356|0.231874|0.144919|0.500000| |2.963582|3.276230|4.142589|4.456701|0.125503|5.722076|6.346128|7.178806|10.847083|12.797004|17.643294|8.833542|5.933351|4.321709|3.980875|4.590672|6.677574|4.617597|0.095512|2.954281|2.519809|2.517201|2.145747|2.063929|1.801774|1.655834|1.691436|1.907286|2.607785|0.048820|2.137718|3.665565|1.700256|2.922388|2.994507|2.538398|2.157638|2.135891|2.383423|0.071841|0.078057|0.089565|0.079483|0.091964|0.138386|0.105643|0.303486|0.500000| |4.458121|4.792306|5.192620|4.717664|0.148781|4.384766|4.615660|4.363709|5.120276|6.717393|7.010821|8.902471|17.697641|8.922838|5.650336|4.954398|5.640259|4.726622|0.088962|2.977484|2.433116|2.271885|1.940462|1.800190|1.594555|1.515625|1.590586|1.798067|2.563553|0.048855|2.153525|3.876171|1.476789|3.275586|3.199101|2.869677|2.410687|2.443556|2.629064|0.108213|0.104946|0.148629|0.105766|0.150912|0.189919|0.117409|0.223950|0.154157|0.500000| |3.455049|3.761598|3.608354|3.565557|0.118461|3.204865|3.614181|3.401814|3.788362|4.578416|4.094306|5.636212|8.913622|17.726723|8.918377|5.644127|4.952330|3.995073|0.076108|2.487344|2.116123|1.979737|1.732479|1.615493|1.452773|1.393890|1.461938|1.630871|2.328174|0.044886|1.926254|3.493360|1.352559|3.057493|3.154739|3.096362|2.557212|2.500497|2.523244|0.092419|0.081216|0.106010|0.089919|0.127606|0.111854|0.083996|0.113396|0.100203|0.215805|0.500000| |2.601390|2.953515|2.945884|3.215063|0.108462|3.004510|3.530962|3.361840|3.671782|4.243310|3.546912|4.938056|5.643778|8.922797|17.727564|8.902161|5.643786|3.827364|0.076050|2.323023|2.048533|1.963356|1.740201|1.646831|1.486120|1.415843|1.469179|1.626621|2.283867|0.043897|1.856561|3.301767|1.395841|3.039065|3.468693|3.584719|2.828040|2.576988|2.527774|0.069866|0.063782|0.075450|0.075041|0.096386|0.086426|0.070331|0.090447|0.090649|0.124244|0.214856|0.500000| |2.367594|2.756702|2.963167|3.512123|0.117272|3.566003|4.299277|4.209884|4.618538|5.154103|4.094208|5.636201|4.956475|5.647681|8.900451|17.725169|8.935584|4.224764|0.088761|2.498471|2.241931|2.223461|1.962361|1.891188|1.687463|1.573837|1.609086|1.786352|2.448913|0.046393|1.972325|3.405556|1.597996|3.226152|3.975928|3.808805|2.924596|2.587407|2.635536|0.061870|0.059843|0.067634|0.071161|0.085559|0.085926|0.071935|0.096048|0.108048|0.107562|0.124096|0.214651|0.500000| |2.623917|3.090194|3.666486|4.588028|0.146156|5.471439|6.383787|6.658666|8.067647|9.076372|6.999852|8.884109|5.643407|4.950307|5.642729|8.933484|17.698784|5.114200|0.111221|2.993457|2.627966|2.662464|2.280444|2.207772|1.921545|1.755247|1.784957|2.012261|2.725842|0.050787|2.216857|3.754380|1.814823|3.481454|4.061396|3.406002|2.709106|2.522491|2.754321|0.065939|0.067596|0.075537|0.078190|0.091512|0.109448|0.089672|0.140448|0.188418|0.123922|0.107494|0.124172|0.215908|0.500000| |4.164927|5.251917|7.109214|7.606513|0.149400|6.793434|9.544261|6.695090|5.793940|6.528738|3.750150|3.346669|3.072244|2.672237|2.520437|2.664052|3.055415|12.464772|0.219332|17.705094|8.995724|6.881048|4.612632|3.698732|2.964629|2.795560|3.110418|4.006546|5.970703|0.102954|5.906196|9.501180|2.497590|5.476830|4.182891|3.218171|3.028767|3.448756|4.712430|0.098042|0.122957|0.102974|0.154956|0.120253|0.150163|0.250558|0.105450|0.089906|0.085945|0.068508|0.062852|0.068135|0.085122|0.500000| |4.745620|6.318305|6.620077|6.469896|0.142917|4.840519|6.284076|4.797224|4.381884|5.019425|3.149496|3.018390|2.924112|2.646517|2.489838|2.545817|2.786684|12.197188|0.183261|17.724855|8.945302|5.648964|4.174965|3.264735|2.727420|2.694208|3.117140|4.013002|6.664023|0.118331|7.501117|14.480321|2.282004|6.806703|4.489786|3.597749|3.546169|4.434095|6.499848|0.116406|0.137944|0.108795|0.228668|0.140512|0.134050|0.203730|0.089328|0.075593|0.082060|0.069466|0.063252|0.065356|0.075431|0.301332|0.500000| |2.658567|3.180587|3.828556|4.747670|0.110700|5.210933|9.840474|7.436908|5.610232|5.465692|3.088351|2.832858|2.502683|2.262646|2.259542|2.493015|2.822114|8.411395|0.218937|6.960523|9.065868|17.691572|8.805414|7.024898|4.670325|3.954529|4.170325|5.623836|6.819227|0.110258|5.562258|7.609936|3.722446|4.537343|4.132370|3.168142|3.045311|3.225130|4.264946|0.066597|0.075564|0.068852|0.092866|0.081459|0.093114|0.113116|0.081082|0.078744|0.067095|0.057418|0.057304|0.066758|0.083507|0.194634|0.140751|0.500000| |1.977986|2.251580|2.559056|2.970072|0.074729|3.254575|5.583836|5.210681|4.168148|3.855208|2.326928|2.171226|1.942466|1.802104|1.832445|2.020464|2.222439|4.755364|0.113510|3.725236|4.703875|7.026871|8.906911|17.701835|8.962726|5.664268|4.945355|5.636110|5.735283|0.098081|3.905691|5.575367|6.964640|3.015289|2.965061|2.488245|2.472764|2.520280|3.026413|0.050898|0.056198|0.052113|0.065209|0.059207|0.065336|0.074424|0.061064|0.061984|0.052011|0.046262|0.047464|0.055670|0.066633|0.103420|0.087404|0.213390|0.500000| |1.577346|1.728145|1.828268|1.979014|0.051382|2.000085|3.056285|2.856365|2.515176|2.444173|1.581765|1.521969|1.426993|1.362110|1.377069|1.461561|1.541637|3.121577|0.067838|2.518904|3.139178|3.611645|4.967905|5.684829|8.879130|17.708506|9.022489|5.670951|5.724976|0.113184|3.298452|5.002553|7.020134|2.179097|2.090936|1.916560|2.042079|2.135861|2.390860|0.041980|0.045147|0.041160|0.051220|0.045682|0.046815|0.053050|0.042721|0.042178|0.038787|0.035956|0.036600|0.040459|0.044614|0.067202|0.065403|0.090004|0.124406|0.500000| |1.815941|1.997058|2.068160|2.205055|0.056776|2.142930|3.206533|2.890045|2.563554|2.562722|1.662194|1.608548|1.528840|1.460311|1.460977|1.529642|1.607896|3.584347|0.075597|3.023384|3.942154|4.167783|5.625252|4.946391|5.593492|8.943360|17.717290|8.869363|9.717072|0.216751|4.727872|7.086314|4.088251|2.536264|2.324643|2.135475|2.341408|2.572965|2.930850|0.048651|0.052338|0.046497|0.060763|0.052194|0.051878|0.060417|0.045388|0.043605|0.041836|0.038790|0.038822|0.041904|0.045804|0.078012|0.080796|0.096139|0.107395|0.217306|0.500000| |1.498807|1.635794|1.778294|1.941203|0.050296|2.051636|3.217574|3.144498|2.734160|2.563728|1.645047|1.556054|1.434031|1.355416|1.374924|1.481170|1.584524|2.960350|0.065716|2.334192|2.782088|3.356226|4.283294|5.885946|8.846384|6.706682|4.598000|3.964609|4.207873|0.079697|2.681393|4.103207|17.554755|2.003761|1.970525|1.775713|1.817896|1.853860|2.083083|0.039422|0.042856|0.039748|0.047356|0.043341|0.046371|0.051695|0.044050|0.044631|0.038863|0.035485|0.036304|0.041138|0.046676|0.064726|0.059206|0.091179|0.151768|0.191176|0.108415|0.500000| |1.485987|1.640252|1.770050|1.965667|0.051612|2.058738|3.212740|3.108568|2.709656|2.560258|1.646391|1.583150|1.457771|1.391664|1.428049|1.545203|1.636212|3.036288|0.068106|2.328873|2.782897|3.353248|4.281486|5.883716|8.843670|6.701466|4.593818|3.961375|4.203286|0.079474|2.677985|4.094168|17.552505|2.104943|2.116224|1.925132|1.989713|1.991646|2.210934|0.039261|0.042023|0.039362|0.047633|0.043938|0.046044|0.050651|0.043688|0.044531|0.039150|0.036361|0.037895|0.043344|0.048311|0.063169|0.058976|0.090923|0.151661|0.191008|0.108301|0.302207|0.500000| |1.584845|1.754678|1.937392|2.170562|0.056326|2.344815|3.773092|3.729253|3.172817|2.924183|1.846792|1.744970|1.583662|1.492502|1.527304|1.670336|1.799909|3.317320|0.075688|2.546295|3.018367|3.800884|4.716450|7.224657|8.844299|5.553437|4.154549|3.943749|4.193403|0.077129|2.766625|4.186638|17.588251|2.222991|2.235241|1.980932|1.994849|1.997941|2.264750|0.041406|0.044946|0.042194|0.050458|0.046750|0.050610|0.055827|0.048745|0.050238|0.042511|0.038704|0.040134|0.046647|0.053801|0.070714|0.063130|0.108496|0.220683|0.140592|0.095717|0.301988|0.301877|0.500000| |4.565092|7.057473|6.242580|7.598332|0.236387|4.876485|5.672200|4.473950|4.333631|5.246346|3.512964|3.847302|3.869773|3.731471|3.592402|3.573053|3.689362|12.375842|0.185156|6.168155|4.662261|3.820328|3.075780|2.619817|2.252326|2.192919|2.425815|2.910071|4.434126|0.082399|4.085718|7.550023|1.966123|17.648810|8.831394|6.880960|5.770502|7.012198|8.939609|0.118588|0.111828|0.110386|0.227006|0.216219|0.137649|0.140756|0.095179|0.082062|0.101967|0.096487|0.091121|0.090306|0.094633|0.138588|0.180059|0.104393|0.072462|0.054570|0.063528|0.050381|0.052387|0.055163|0.500000| |3.177721|4.227000|4.627333|6.858715|0.253076|5.690913|6.749619|5.470451|5.325525|6.346121|4.120829|4.846484|4.311061|4.226102|4.623433|5.308095|5.468571|9.653001|0.204386|4.538067|3.874510|3.664218|3.001611|2.715528|2.313555|2.164472|2.290002|2.684103|3.775030|0.069274|3.209601|5.445446|2.076248|8.721598|17.558220|8.854350|5.498342|4.850279|5.488003|0.081453|0.080262|0.084285|0.116026|0.129685|0.117097|0.107936|0.101076|0.097655|0.102995|0.100511|0.113456|0.138803|0.145375|0.113113|0.113709|0.108901|0.078543|0.053982|0.058713|0.052372|0.055703|0.059785|0.209545|0.500000| |2.746963|3.522878|3.803495|5.269464|0.156834|4.683778|6.416859|5.150231|4.664343|5.122162|3.205691|3.457360|3.118255|3.046434|3.274194|3.674741|3.797797|9.477424|0.229669|4.828716|4.634527|4.529499|3.739252|3.332128|2.793071|2.602739|2.768106|3.297679|4.555002|0.081944|3.799577|6.157877|2.449521|8.880069|17.498223|8.838840|6.806066|5.745488|6.942729|0.071418|0.071913|0.071373|0.102896|0.101616|0.093613|0.095550|0.080739|0.079195|0.078245|0.075774|0.084300|0.101664|0.107788|0.114327|0.117076|0.130840|0.095060|0.063950|0.069905|0.060492|0.066134|0.070014|0.173986|0.302853|0.500000| |3.024344|3.857480|3.591567|4.276096|0.144113|3.458520|4.235856|3.632908|3.589686|4.134270|2.920221|3.444327|3.499988|3.814560|4.143455|4.053645|3.679549|6.235112|0.119130|3.509591|3.126535|2.842568|2.473249|2.224839|1.976165|1.920491|2.064288|2.356271|3.426657|0.065320|2.872001|5.155417|1.778507|6.805532|8.852232|17.512758|8.837121|6.757890|5.612904|0.082744|0.074877|0.078755|0.111235|0.125280|0.091234|0.085632|0.076279|0.071415|0.087180|0.099148|0.113612|0.109297|0.093758|0.085598|0.097123|0.079090|0.062101|0.048768|0.054558|0.045372|0.048546|0.050073|0.202969|0.215401|0.173689|0.500000| |2.469323|3.043646|3.030596|3.735102|0.120741|3.293182|4.239377|3.711001|3.601289|3.984247|2.747098|3.183220|3.055823|3.271924|3.750792|3.997778|3.619261|5.600863|0.116898|3.195431|3.011443|2.882842|2.563053|2.365420|2.105562|2.017308|2.127103|2.399680|3.369037|0.063729|2.727099|4.707958|1.915013|5.511795|8.875811|17.569957|8.802898|5.500454|4.846475|0.066610|0.062977|0.065298|0.087068|0.093621|0.078224|0.074680|0.069943|0.068995|0.075256|0.083072|0.103527|0.116275|0.097243|0.078999|0.084692|0.081424|0.066738|0.051268|0.055641|0.048260|0.052829|0.054297|0.140718|0.215393|0.215180|0.303822|0.500000| |2.388965|2.865813|2.676659|3.047447|0.092426|2.613048|3.414343|2.981444|2.864213|3.140349|2.177649|2.416685|2.418050|2.561471|2.734953|2.733350|2.559940|4.785084|0.094793|3.004708|2.932480|2.695704|2.479208|2.231795|2.038060|2.033582|2.206265|2.459604|3.590445|0.070093|2.879110|5.173502|1.825316|4.856533|5.490213|8.837496|17.565710|8.826927|5.476239|0.066750|0.061564|0.061470|0.086538|0.086278|0.067621|0.067859|0.057697|0.054973|0.062503|0.068533|0.076787|0.076627|0.068420|0.072418|0.084080|0.072122|0.060640|0.052129|0.059342|0.046400|0.050761|0.050424|0.129544|0.123551|0.139403|0.215703|0.210268|0.500000| |2.343324|2.849082|2.791644|3.321632|0.097845|2.910522|3.944379|3.390031|3.163816|3.411863|2.282078|2.472930|2.384842|2.443497|2.612060|2.729447|2.646724|5.576867|0.116116|3.467555|3.556249|3.346449|3.085616|2.756674|2.478422|2.448690|2.657942|3.012063|4.305277|0.081896|3.409679|5.831965|2.183423|5.617573|6.740949|8.855952|17.514038|8.855019|6.750074|0.063887|0.061517|0.060194|0.086471|0.083000|0.069603|0.071887|0.059748|0.057744|0.061483|0.063894|0.071324|0.077023|0.072861|0.082022|0.093113|0.088808|0.074567|0.061778|0.070067|0.054499|0.060841|0.060291|0.132241|0.139321|0.199198|0.173711|0.215541|0.303611|0.500000| |3.248389|4.070660|3.501010|3.804817|0.112492|3.004736|3.813513|3.217548|3.092629|3.494272|2.411619|2.626646|2.693096|2.764204|2.766049|2.693495|2.625926|6.183252|0.111253|3.980023|3.653394|3.086262|2.722452|2.341164|2.099985|2.120318|2.378397|2.748820|4.275481|0.083594|3.692856|7.135155|1.837144|6.904504|5.687340|6.777032|8.837743|17.508434|8.828614|0.092343|0.082708|0.079592|0.133685|0.121528|0.084347|0.087989|0.065688|0.059400|0.071733|0.074973|0.075079|0.071765|0.068851|0.091797|0.120243|0.080449|0.062851|0.053678|0.064326|0.047183|0.050029|0.050484|0.209031|0.126762|0.132440|0.197762|0.138879|0.214996|0.173649|0.500000| |2.659063|3.199714|2.931181|3.232442|0.091628|2.701851|3.597314|3.058975|2.872718|3.142864|2.124938|2.253571|2.247032|2.272976|2.308477|2.315050|2.286265|5.501243|0.104837|3.779350|3.850606|3.306428|3.046719|2.592334|2.356439|2.432275|2.779856|3.190606|5.012281|0.099471|4.131226|7.776261|2.030504|5.550181|4.864642|5.501608|8.812487|17.575487|8.889613|0.074541|0.070398|0.065907|0.103770|0.090834|0.071146|0.076862|0.057528|0.053300|0.059942|0.061141|0.062775|0.063027|0.061674|0.086617|0.110762|0.083332|0.067932|0.061475|0.075968|0.051767|0.055848|0.054953|0.143082|0.106912|0.128483|0.138866|0.123230|0.210812|0.215053|0.304186|0.500000| 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