Version2.1 2021-01-16T12:54:58Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 10-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCN1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1[C@@H]4C(=N[C@@H](N(C4=O)c5c(cc(cc5C)C)C)O)O C64165285 RHF 6-31G(d) (6D,7F) CCN1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1[C@@H]4C(=N[C@@H](N(C4=O)c5c(cc(cc5C)C)C)O)O C01[X(C26H31N4O3)] 186 C1 557 CCN1CCC2=c3c(=[NH+][C@@H]2[C@@H]1[C@@H]1C(=N[C@@H](N(C1=O)c1c(C)cc(cc1C)C)O)O)cccc3 CCN1CCC2=c3c(=[NH+][C@@H]2[C@@H]1[C@@H]1C(=N[C@@H](N(C1=O)c1c(C)cc(cc1C)C)O)O)cccc3 CCN1CCC2=C3C=CC=CC3=[NH+][C@@H]2[C@@H]1[C@@H]4C(=N[C@H](O)N(C4=O)c5c(C)cc(C)cc5C)O InChIKey=YIOMUQYKBNIGNC-ZRAZWPEBSA-O InChI=1S/C26H30N4O3/c1-5-29-11-10-18-17-8-6-7-9-19(17)27-21(18)23(29)20-24(31)28-26(33)30(25(20)32)22-15(3)12-14(2)13-16(22)4/h6-9,12-13,20-21,23,26,33H,5,10-11H2,1-4H3,(H,28,31)/p+1/t20-,21+,23+,26+/m1/s1 InChI=1/C26H30N4O3/c1-5-29-11-10-18-17-8-6-7-9-19(17)27-21(18)23(29)20-24(31)28-26(33)30(25(20)32)22-15(3)12-14(2)13-16(22)4/h6-9,12-13,20-21,23,26,33H,5,10-11H2,1-4H3,(H,28,31)/p+1/t20-,21+,23+,26+/m1/s1/fC26H31N4O3/h27,31H/q+1 CCN1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1[C@@H]4C(=N[C@@H](N(C4=O)c5c(cc(cc5C)C)C)O)O C01[X(C26H31N4O3)] 186 C01 557 CCN1CCC2=c3c(=[NH+][C@@H]2[C@@H]1[C@@H]1C(=N[C@@H](N(C1=O)c1c(C)cc(cc1C)C)O)O)cccc3 CCN1CCC2=[C]3[C]([NH][C@@H]2[C@@H]1[C@@H]1C(=N[C@@H]([N@@]([C]1=O)[C]1[C]([CH][C]([CH][C]1C)C)C)O)O)[CH]=[CH][CH]=[CH]3 CCN1CCC2=C3C=CC=C[C]3N[C@@H]2[C@@H]1[C@@H]4C(=N[C@H](O)N([C]5[C](C)[CH][C](C)[CH][C]5C)C4=O)O InChIKey=YUORNSOGEMZEBN-ZRAZWPEBSA-N InChI=1S/C26H31N4O3/c1-5-29-11-10-18-17-8-6-7-9-19(17)27-21(18)23(29)20-24(31)28-26(33)30(25(20)32)22-15(3)12-14(2)13-16(22)4/h6-9,12-13,20-21,23,26-27,33H,5,10-11H2,1-4H3,(H,28,31)/t20-,21+,23+,26+/m1/s1 InChI=1/C26H31N4O3/c1-5-29-11-10-18-17-8-6-7-9-19(17)27-21(18)23(29)20-24(31)28-26(33)30(25(20)32)22-15(3)12-14(2)13-16(22)4/h6-9,12-13,20-21,23,26-27,33H,5,10-11H2,1-4H3,(H,28,31)/t20-,21+,23+,26+/m1/s1/f/h31H 3594.9407747673 -1444.8239741 1-A 15002.9737 119 438 557 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.71794 -20.67315 -20.64334 -15.74346 -15.70029 -15.67317 -15.65586 -11.47091 -11.46430 -11.46389 -11.45616 -11.43075 -11.42468 -11.42151 -11.40386 -11.38882 -11.38696 -11.37845 -11.37303 -11.37236 -11.36898 -11.36603 -11.35301 -11.34162 -11.31973 -11.31815 -11.31043 -11.30357 -11.29978 -11.29182 -11.29072 -11.28948 -11.28241 -1.55643 -1.51899 -1.49818 -1.46168 -1.37652 -1.36596 -1.32198 -1.28935 -1.24926 -1.23099 -1.20243 -1.16889 -1.15573 -1.13657 -1.13493 -1.12351 -1.10582 -1.04816 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1962.27 1970.30 2013.18 2020.50 2023.83 2032.12 2061.13 2090.03 2093.43 2115.35 2129.62 2145.94 2155.71 2179.19 2212.69 2217.03 2221.48 2239.39 2249.78 2251.90 2255.83 2264.53 2270.23 2272.05 2282.34 2293.10 2315.86 2317.98 2320.00 2351.04 2353.04 2353.37 2354.75 2357.45 2358.98 2372.31 2373.22 2381.40 2400.01 2404.07 2409.19 2516.14 2552.60 2566.79 2601.24 2664.97 2721.94 2831.00 4604.37 4616.92 4619.66 4620.71 4626.74 4638.78 4648.25 4680.69 4692.53 4695.24 4702.42 4706.20 4717.26 4720.47 4722.73 4734.74 4736.57 4745.36 4766.05 4772.20 4776.91 4782.84 4838.06 4839.98 4875.45 4890.81 4909.07 4916.47 5347.20 5802.23 5872.86 0.580464 0.608445 0.609389 0.521469 -1444.243511 -1444.215529 -1444.214585 -1444.302505 2.948851D-04 MUNgauss RevisionA2.0 retrievium 16-Jan-2021 DUDE CCN1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1[C@@H]4C(=N[C@@H](N(C4=O)c5c(cc(cc5C)C)C)O)O C64165285 RHF 6-31G(d) (6D,10F) C1 447.239616 |X|Y|Z| 99.132816 61.241308 37.750427 61.196689 25 6 7 21 4 |36.858105| |12.487857|36.858105| |7.671812|13.010722|53.358707| |5.955247|7.692053|17.875221|36.858105| |4.615298|5.129383|10.574455|12.387318|36.858105| |3.899561|4.524054|9.409896|7.851501|12.831715|36.858105| |3.056078|3.473665|6.450027|5.274155|7.344797|14.077655|36.858105| |2.594980|2.864612|4.981180|4.245646|5.707511|7.420562|13.198221|36.858105| |2.224015|2.445083|4.091888|3.329424|4.098728|5.140643|7.964233|14.211240|36.858105| |2.139345|2.375188|3.939187|3.042135|3.571786|4.656609|6.884751|7.855434|13.142382|36.858105| |2.339392|2.640787|4.451792|3.291963|3.798523|5.300905|7.647799|6.600872|7.705933|14.084509|36.858105| |2.829995|3.256234|5.833118|4.271704|5.121925|8.464495|13.187761|7.629729|6.810216|8.069499|13.408310|36.858105| |3.223561|3.801146|6.959280|4.588852|5.140987|8.291494|8.422997|5.284945|4.656778|5.265483|7.730606|14.544832|53.358707| |3.029380|3.589116|6.194881|3.942129|4.145357|5.866836|5.924920|4.236312|3.952627|4.642625|6.798309|9.267177|25.791677|0.500000| |4.213319|5.109928|10.829213|6.594046|7.419593|12.699415|8.186027|5.068029|4.100729|4.154264|5.199639|8.387201|17.928735|0.245745|36.858105| |4.432927|4.961715|9.631674|5.704217|6.623854|9.085290|6.397505|4.385013|3.627549|3.660668|4.454023|6.471182|12.497009|0.199018|17.527376|0.500000| |5.242199|7.639634|18.031099|7.639444|6.261711|7.423491|5.343471|3.871372|3.259204|3.291233|3.940392|5.398544|10.037665|0.186009|12.177867|0.248112|36.858105| |5.376965|7.418639|12.820316|5.683297|4.896680|5.578085|4.335616|3.281469|2.853529|2.938271|3.527012|4.590906|8.686517|0.177347|8.923487|0.233402|17.627710|0.500000| |3.965300|5.622640|9.895285|5.716320|4.703056|5.576444|4.745886|3.641433|3.209788|3.336942|4.007576|5.108656|8.778063|0.181749|7.268645|0.152265|12.002728|0.246531|36.858105| |3.426629|4.549094|8.172989|5.475884|4.848289|6.126290|5.635401|4.276987|3.779918|3.960334|4.800707|6.171837|9.742842|0.192533|7.179955|0.143675|8.643592|0.177818|17.584324|0.500000| |3.983745|5.848883|8.667126|5.395859|4.082183|4.296522|3.720507|3.083447|2.744473|2.774845|3.148525|3.759916|5.864248|0.119984|4.874623|0.112296|7.295098|0.170687|12.649662|0.253206|36.858105| |3.709534|5.200063|6.765119|4.186873|3.290103|3.400848|3.013483|2.570112|2.339452|2.386541|2.684114|3.091970|4.803614|0.101321|3.872843|0.094340|5.450924|0.144477|7.748240|0.166598|15.285419|53.358707| |3.481908|4.625189|5.933575|3.530579|2.927036|3.106084|2.784905|2.362143|2.183741|2.277291|2.605343|2.964666|4.745962|0.104567|3.709058|0.093275|5.086105|0.150366|6.716012|0.142674|8.243492|18.111457|36.858105| |2.969268|3.738883|4.783709|2.981550|2.528975|2.666602|2.448243|2.125717|1.995104|2.086733|2.356214|2.607174|4.061443|0.089608|3.090721|0.078730|3.963051|0.115631|5.043049|0.116797|6.114816|12.724574|17.681301|0.500000| |3.199491|4.121604|5.783440|3.432328|2.989360|3.351262|3.069247|2.549848|2.386182|2.563137|3.032900|3.445210|5.731040|0.134470|4.207527|0.104328|5.539340|0.168333|7.757367|0.165464|7.027783|10.704011|13.140798|0.259323|53.358707| |3.350636|4.377168|6.817527|4.006063|3.563898|4.245237|3.880225|3.081859|2.853338|3.107913|3.829274|4.546716|8.071632|0.198036|5.692241|0.132209|7.528792|0.214537|12.445136|0.250756|7.650472|9.135620|7.777293|0.163419|19.355674|36.858105| |2.968436|3.657801|5.809112|3.553007|3.378612|4.209545|4.049836|3.194469|3.032657|3.448743|4.467673|5.170658|9.583263|0.280945|5.748101|0.136058|6.253624|0.180631|8.022584|0.205638|5.295297|6.420552|5.341898|0.124522|11.578059|15.749715|73.516695| |2.672860|3.227992|4.461043|2.745385|2.484183|2.777613|2.621362|2.232584|2.138976|2.332823|2.743376|2.984004|4.839812|0.115758|3.404193|0.087760|4.061456|0.125259|5.005262|0.119666|4.612263|7.024348|7.708783|0.209921|17.922078|7.889453|12.395898|36.858105| |2.283112|2.708698|3.760645|2.415548|2.209526|2.455895|2.380200|2.081172|2.030722|2.226596|2.571769|2.698336|4.182431|0.098268|2.882738|0.073884|3.304980|0.097017|4.123141|0.105362|3.990590|6.084419|5.896631|0.183667|10.656029|5.766750|9.635078|13.667409|36.858105| |2.007257|2.308438|3.178769|2.069513|1.925664|2.123787|2.078032|1.846430|1.821219|2.000639|2.281902|2.346384|3.576747|0.083266|2.455889|0.064333|2.723502|0.080402|3.204669|0.083540|3.097781|4.642305|4.271535|0.132589|7.007238|4.189116|7.438466|7.975045|13.738924|36.858105| |1.982790|2.236070|3.052354|1.969536|1.848711|2.032379|1.976311|1.752376|1.724075|1.890522|2.158962|2.229566|3.430599|0.079911|2.370185|0.063495|2.599237|0.078571|2.916920|0.075248|2.769978|4.104794|3.790390|0.113285|6.138861|3.769293|6.861355|6.857755|7.866928|13.731504|36.858105| |2.225403|2.507973|3.403381|2.143082|2.007189|2.212217|2.116671|1.846935|1.795848|1.962701|2.268439|2.394173|3.785548|0.089022|2.646771|0.071925|2.934589|0.091831|3.201063|0.080409|2.967415|4.375971|4.178785|0.119014|6.971856|4.241036|7.736036|7.994377|6.870141|7.996998|13.737597|36.858105| |2.629747|3.056670|4.158246|2.537282|2.337683|2.597968|2.439164|2.081314|1.994383|2.172694|2.550750|2.771854|4.532621|0.108276|3.212495|0.086387|3.713257|0.119985|4.113314|0.099118|3.717277|5.508570|5.653593|0.151356|10.514102|5.899967|10.307322|13.683665|7.835683|6.845683|7.846780|13.722397|36.858105| |3.047213|3.481377|4.678342|2.752952|2.543693|2.812826|2.569645|2.157987|2.034209|2.191048|2.582116|2.890502|4.870827|0.114773|3.592264|0.100643|4.182662|0.145927|4.193578|0.098480|3.672045|5.266238|5.164899|0.127822|8.822953|5.626979|9.842295|7.488411|4.977337|4.438113|5.014191|7.599577|12.610725|36.858105| |1.729146|1.908801|2.599683|1.706050|1.619687|1.765563|1.731463|1.559837|1.547096|1.692044|1.902500|1.935609|2.918528|0.066835|2.018441|0.054631|2.165475|0.064766|2.373638|0.062306|2.273211|3.327752|2.932716|0.087265|4.521907|2.915238|5.357804|4.442428|5.006592|7.558957|12.612750|7.558964|5.000280|3.793039|36.858105| |2.204703|2.643971|3.720084|2.463694|2.239306|2.480033|2.436731|2.161344|2.120742|2.315088|2.632560|2.729765|4.094357|0.093821|2.817940|0.070566|3.220620|0.090075|4.232055|0.113198|4.315987|6.534400|5.597163|0.177769|9.045714|5.416118|8.742443|7.502860|12.594265|7.590981|5.014655|4.446182|4.982203|3.750308|3.790374|36.858105| |4.072230|5.335757|6.196818|3.524259|2.906089|3.003391|2.628779|2.226680|2.039227|2.104492|2.395242|2.753935|4.455204|0.096705|3.624766|0.095370|5.019124|0.161253|5.510737|0.117781|6.203876|11.196257|13.679341|0.261052|11.278943|6.018331|8.088635|6.167474|4.607802|3.682966|3.522508|4.094941|5.528168|5.821264|2.793758|4.108233|73.516695| |3.823825|5.369892|8.182504|6.080864|4.412980|4.384062|3.823175|3.281936|2.874101|2.804018|3.065420|3.631367|5.305822|0.103760|4.454560|0.102687|5.940921|0.133427|8.051263|0.214108|14.339050|11.593025|5.368362|0.125132|6.460224|5.224481|7.322214|3.518833|3.208588|2.601717|2.341812|2.464016|2.955631|2.939093|1.978493|3.558966|7.988441|73.516695| |17.566469|8.816472|9.425553|5.240173|4.496097|3.955749|3.100141|2.602544|2.238732|2.172637|2.398252|2.913959|4.596995|0.088281|4.438702|0.138377|5.235751|0.158188|3.807666|0.091834|3.614560|4.582409|3.293956|0.078243|4.285588|3.337810|5.399317|2.679952|2.266910|2.010343|2.013317|2.288983|2.703105|3.230674|1.759607|2.152577|6.883842|6.019011|0.500000| |17.557894|8.742936|9.347885|6.397982|5.038850|3.952682|3.092934|2.680019|2.269108|2.139082|2.298238|2.771120|4.164037|0.078404|3.979288|0.115377|4.628356|0.124467|3.588225|0.089504|3.617973|4.500336|3.030303|0.073110|3.833131|2.989121|4.785762|2.378443|2.074167|1.835200|1.803632|1.996220|2.321764|2.630705|1.588490|2.033685|6.025903|6.506543|0.301380|0.500000| |17.556530|8.838554|7.593627|4.601069|3.680412|3.205926|2.615135|2.268981|1.981225|1.918001|2.084517|2.462043|3.778713|0.073936|3.455593|0.100019|4.246750|0.123836|3.465788|0.083525|3.615692|4.811323|3.369985|0.081506|4.100175|3.038687|4.780347|2.565920|2.207329|1.958494|1.943772|2.177131|2.544562|2.931394|1.705010|2.123115|7.214198|6.144497|0.300885|0.302423|0.500000| |8.897803|17.635920|12.495062|5.683944|4.229062|4.041124|3.221264|2.650835|2.314083|2.300968|2.596928|3.161186|5.163755|0.103499|4.878527|0.132693|7.607142|0.241577|5.935684|0.126466|6.126375|8.004668|5.680634|0.122543|6.697295|4.984196|7.182114|3.776718|3.057224|2.579239|2.515072|2.877901|3.608420|4.225439|2.113624|2.903981|13.019981|8.969412|0.213129|0.173098|0.213871|0.500000| |8.839033|17.518859|12.316352|7.206084|4.637850|4.023629|3.205479|2.725287|2.343308|2.259287|2.470781|2.979381|4.573349|0.088655|4.283633|0.111790|6.060766|0.155773|5.241201|0.121241|6.246910|7.738325|4.649044|0.106605|5.333636|4.036090|5.929787|3.073066|2.647016|2.251136|2.150090|2.365415|2.843142|3.110580|1.843272|2.649723|9.160401|11.014347|0.173140|0.208651|0.214259|0.304973|0.500000| |4.735004|6.271150|12.219355|17.579409|8.830763|6.901329|5.195913|4.339187|3.445093|3.135807|3.350757|4.245166|5.987339|0.106692|5.751110|0.131743|6.759336|0.139261|6.117933|0.172794|6.218492|6.239551|3.661821|0.086563|4.793012|4.108636|6.371441|2.787399|2.498509|2.120238|1.984669|2.127676|2.510741|2.642931|1.715732|2.619977|6.201562|14.476847|0.115622|0.137621|0.109072|0.139170|0.183248|0.500000| |6.732613|7.602306|12.581031|17.637227|8.888650|5.671804|4.188352|3.602437|2.898547|2.635367|2.793748|3.469899|5.003287|0.090282|4.939054|0.128151|5.640315|0.129712|4.483735|0.117966|4.537812|5.117706|3.194668|0.076418|4.108994|3.370409|5.345648|2.471340|2.193614|1.904515|1.823967|1.979592|2.313195|2.515470|1.595573|2.230696|5.823772|9.171044|0.153314|0.229143|0.144117|0.149082|0.212843|0.303815|0.500000| |3.848369|4.164495|7.634462|8.730962|17.596222|8.920700|6.822868|6.262263|4.356821|3.585218|3.616468|4.603351|5.865336|0.098810|5.468229|0.137050|4.755356|0.107548|3.969234|0.117510|3.602565|4.020106|2.607631|0.063827|3.597870|3.092120|5.255208|2.234071|2.028163|1.782231|1.703665|1.825983|2.094483|2.238765|1.506679|2.083672|4.546493|7.208299|0.102633|0.119271|0.088864|0.097361|0.110448|0.215970|0.208094|0.500000| |4.976971|5.001461|9.466248|8.839058|17.546676|9.042437|5.896620|4.788157|3.609984|3.202893|3.409489|4.462086|6.282727|0.105761|6.576135|0.189974|5.519408|0.129983|4.026757|0.111130|3.528283|4.029108|2.711986|0.065483|3.764995|3.228553|5.515533|2.343874|2.073224|1.829638|1.780901|1.949207|2.256150|2.504095|1.570657|2.065824|4.927475|6.538209|0.141296|0.155526|0.108217|0.114836|0.121075|0.173976|0.218815|0.300755|0.500000| |2.605644|2.823663|4.834502|4.326675|5.980206|6.548737|8.706352|17.745695|9.025819|5.581139|4.811258|5.490268|5.828413|0.098185|4.416409|0.109655|3.553420|0.084102|3.297393|0.104571|2.905395|3.323241|2.220944|0.055747|3.188504|2.765651|4.979488|2.052091|1.916683|1.708303|1.625203|1.711218|1.920467|1.998562|1.454425|1.992966|3.760691|5.635793|0.071872|0.076422|0.063331|0.071331|0.075493|0.122511|0.105235|0.205922|0.139895|0.500000| |2.017715|2.189362|3.572060|2.923179|3.519202|4.104138|5.629859|9.049857|17.754280|8.762459|5.587054|4.924816|5.021429|0.089986|3.353506|0.084464|2.779232|0.068591|2.755854|0.088435|2.432319|2.868333|1.966271|0.050447|2.886843|2.477264|4.633270|1.922818|1.845470|1.671747|1.584016|1.638069|1.799063|1.826221|1.435292|1.935156|3.275313|4.572080|0.056182|0.057566|0.050440|0.057535|0.058907|0.084356|0.072568|0.106572|0.087810|0.215538|0.500000| |1.911771|2.104410|3.400444|2.604589|2.976950|3.688106|4.959600|5.653974|8.791781|17.722107|9.100416|5.697841|5.721146|0.108447|3.399650|0.085287|2.810818|0.071148|2.892714|0.093545|2.467527|2.947708|2.084022|0.053777|3.183368|2.769101|5.470374|2.173428|2.109755|1.922801|1.817129|1.865133|2.031939|2.025810|1.644845|2.200564|3.421334|4.422006|0.053889|0.053031|0.048168|0.057059|0.056010|0.074756|0.063898|0.083531|0.075485|0.123979|0.215616|0.500000| |2.193777|2.471829|4.055878|2.910803|3.233568|4.303649|5.493932|4.812087|5.516350|8.946095|17.755868|8.752038|9.269284|0.192109|4.551733|0.111682|3.635927|0.093684|3.795107|0.122810|2.996325|3.558397|2.601960|0.066011|4.218262|3.878162|8.444882|2.888295|2.734723|2.450231|2.321985|2.426248|2.699033|2.689786|2.047825|2.769093|4.232070|5.058283|0.062751|0.059188|0.054910|0.068843|0.064249|0.082107|0.069613|0.084793|0.082337|0.105155|0.123093|0.216539|0.500000| |1.826723|2.084031|2.874906|1.906890|1.783379|1.956107|1.934300|1.744605|1.735812|1.904942|2.141930|2.168350|3.233941|0.074214|2.215753|0.057947|2.423775|0.070298|2.845580|0.075820|2.796154|4.160283|3.642682|0.114037|5.688825|3.552163|6.325024|5.665137|8.954728|17.708715|8.933799|5.672160|4.937166|3.548884|7.022696|7.090518|5.591905|4.287119|0.050581|0.046860|0.049629|0.063695|0.057031|0.054643|0.049000|0.046321|0.046987|0.044978|0.044612|0.051369|0.063897|0.500000| |2.145392|2.362207|3.185841|2.011906|1.902402|2.082791|1.990100|1.744873|1.696674|1.847000|2.121466|2.235907|3.519499|0.081782|2.479158|0.068711|2.701893|0.085102|2.840072|0.071726|2.629161|3.829623|3.540298|0.099317|5.653065|3.607351|6.653764|5.675604|4.949902|5.674087|8.944483|17.709125|8.960417|7.112527|7.030380|3.554053|6.449406|3.952357|0.061987|0.053503|0.058602|0.074908|0.061479|0.054923|0.052040|0.048121|0.051913|0.045090|0.043150|0.048886|0.062901|0.124578|0.500000| |3.156330|3.616691|5.103336|2.972800|2.806438|3.197162|2.916553|2.397883|2.253327|2.452246|2.956672|3.365323|5.910647|0.144040|4.267387|0.121074|4.795953|0.172463|4.618996|0.109073|3.771431|5.131899|4.749702|0.114015|8.542649|6.302306|12.031069|6.570462|4.553078|3.998659|4.350278|6.017803|8.882058|17.541506|3.396345|3.594302|9.075389|5.393070|0.094648|0.076153|0.082021|0.119379|0.087838|0.078458|0.074130|0.067796|0.076848|0.060965|0.055563|0.062375|0.085931|0.090989|0.157867|0.500000| |3.527984|4.090431|5.229367|2.988381|2.680837|2.891706|2.577254|2.160774|2.008175|2.124734|2.474822|2.819452|4.733316|0.107703|3.677993|0.103156|4.546610|0.163847|4.448027|0.100884|4.044884|5.952502|6.003965|0.142587|9.152511|5.604914|8.947097|6.712498|4.555137|3.948056|4.249466|5.824926|8.825383|17.622102|3.309672|3.605590|13.974286|5.666767|0.103181|0.082328|0.095411|0.145619|0.100431|0.079057|0.076493|0.065055|0.073489|0.056160|0.050159|0.054247|0.070172|0.089906|0.151454|0.301028|0.500000| |2.780419|3.046966|4.052272|2.440656|2.290282|2.502095|2.306533|1.967893|1.867028|2.006003|2.334006|2.571137|4.227722|0.097738|3.110375|0.089152|3.478416|0.117944|3.405025|0.082447|3.050408|4.363621|4.078185|0.105166|6.487567|4.281398|7.709015|5.564643|4.164797|3.997770|4.797380|7.369730|8.889433|17.596181|3.854263|3.207317|8.238721|4.496008|0.082821|0.067271|0.075351|0.100305|0.076083|0.064768|0.062909|0.056524|0.063485|0.050928|0.046942|0.051981|0.067736|0.090932|0.229978|0.302451|0.301675|0.500000| |1.652477|1.816152|2.505391|1.655503|1.590724|1.747126|1.731561|1.565836|1.566237|1.728259|1.944930|1.952289|2.923656|0.067201|1.991438|0.053976|2.095187|0.062295|2.283872|0.060755|2.153340|3.092728|2.670620|0.077906|4.181276|2.793220|5.276099|3.990447|4.453721|6.294634|8.865454|6.269910|4.439134|3.502799|17.537117|3.510341|4.506083|3.361428|0.046918|0.042412|0.044976|0.055354|0.048541|0.046215|0.042889|0.041213|0.042876|0.040395|0.040401|0.046983|0.058796|0.169673|0.168676|0.090428|0.084047|0.099167|0.500000| |1.714959|1.870550|2.521441|1.649479|1.566283|1.694161|1.649997|1.486995|1.467892|1.594037|1.785673|1.829547|2.765162|0.062819|1.936297|0.053005|2.078273|0.062698|2.231256|0.058155|2.143237|3.141357|2.765661|0.081626|4.172366|2.697907|4.921643|3.975660|4.189483|5.642310|8.839299|7.106611|4.702719|3.779683|17.580865|3.245978|4.836533|3.328665|0.048703|0.043653|0.047275|0.057686|0.050003|0.045741|0.043125|0.040419|0.042509|0.038692|0.037893|0.042955|0.053026|0.143293|0.214188|0.092446|0.092159|0.111530|0.302078|0.500000| |1.635372|1.805473|2.449803|1.623801|1.536200|1.662885|1.634999|1.485611|1.476574|1.606887|1.788189|1.811660|2.699376|0.061160|1.876241|0.050507|2.018447|0.059642|2.231434|0.058965|2.178259|3.211734|2.787168|0.084630|4.178173|2.686516|4.857416|3.974055|4.699961|7.090124|8.839072|5.650950|4.187807|3.250517|17.579165|3.767796|4.665381|3.404382|0.045861|0.041943|0.044970|0.055173|0.048947|0.045664|0.042359|0.039943|0.041249|0.038634|0.038250|0.043557|0.053182|0.212829|0.143738|0.081505|0.081458|0.090338|0.302102|0.301573|0.500000| |2.250278|2.719452|3.952847|2.644201|2.428401|2.748512|2.745695|2.421742|2.391631|2.648617|3.049895|3.135677|4.666701|0.107911|3.120027|0.076490|3.503477|0.095531|4.795581|0.134589|4.652940|6.543274|5.240152|0.151108|9.017808|6.163921|10.259758|6.667011|8.843918|5.921649|4.312556|3.997349|4.581827|3.622226|3.360207|17.547747|6.880622|6.867845|0.061142|0.058063|0.059327|0.081730|0.075285|0.078926|0.065450|0.062815|0.061473|0.061246|0.060088|0.069652|0.089621|0.154137|0.090959|0.100664|0.096115|0.085547|0.089515|0.080898|0.091113|0.500000| |1.961608|2.303366|3.228184|2.177621|2.005057|2.204161|2.192971|1.982864|1.969985|2.151863|2.406391|2.441206|3.581589|0.081135|2.454936|0.062157|2.732091|0.076190|3.441709|0.094188|3.520099|5.248203|4.315557|0.137385|6.593317|4.176766|7.054155|5.564928|8.880629|7.363182|4.794470|4.000931|4.163591|3.205983|3.849453|17.603997|6.021168|5.410545|0.053291|0.050722|0.052788|0.069381|0.064394|0.064247|0.055359|0.052421|0.051656|0.051015|0.050487|0.057663|0.070700|0.229277|0.090992|0.085334|0.085131|0.078766|0.099836|0.089980|0.110770|0.302399|0.500000| |2.317699|2.816430|3.885725|2.578744|2.289135|2.484751|2.403488|2.137164|2.070225|2.214974|2.486519|2.623690|3.923421|0.087752|2.790607|0.069700|3.286216|0.091033|4.377384|0.114697|4.874194|7.919936|6.571367|0.228278|9.107065|5.228611|7.879966|6.599159|8.759974|5.864164|4.262629|3.942484|4.514995|3.565241|3.325452|17.556401|8.074597|7.095128|0.061906|0.059303|0.062429|0.086016|0.080105|0.077019|0.065294|0.059255|0.058420|0.055339|0.052645|0.058112|0.071113|0.153396|0.089801|0.093794|0.099317|0.084682|0.084492|0.081673|0.092802|0.302258|0.302854|0.500000| |4.005644|5.081645|5.626359|3.319263|2.715579|2.734279|2.402594|2.071487|1.898448|1.939130|2.171435|2.471580|3.898714|0.083180|3.182344|0.084341|4.264523|0.131317|4.596603|0.102605|5.500510|10.242089|9.893192|0.236081|8.296716|4.729313|6.642681|4.945390|4.013703|3.323017|3.178251|3.586091|4.518108|4.672171|2.593436|3.705486|35.648342|7.586639|0.102983|0.093255|0.115568|0.185339|0.144363|0.091818|0.088187|0.067291|0.072258|0.055288|0.048073|0.049521|0.059673|0.080806|0.089947|0.114516|0.167293|0.109973|0.065141|0.070722|0.068742|0.095849|0.087245|0.116549|0.500000| 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