Version2.0 2020-02-15T07:33:16Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 03-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H](c1ccccc1)[NH+](Cc2cccc(c2)Oc3ccccc3)Cc4nc(co4)C(=O)NCCOC C36072145 RHF 6-31G(d) (6D,7F) C[C@@H](c1ccccc1)[NH+](Cc2cccc(c2)Oc3ccccc3)Cc4nc(co4)C(=O)NCCOC C01[X(C29H32N3O4)] 198 C1 604 COCCNC(=O)c1coc(n1)C[NH+]([C@H](c1ccccc1)C)Cc1cccc(c1)Oc1ccccc1 COCCNC(=O)c1coc(n1)C[NH+]([C@H](c1ccccc1)C)Cc1cccc(c1)Oc1ccccc1 COCCNC(=O)c1coc(C[NH+](Cc2cccc(Oc3ccccc3)c2)[C@@H](C)c4ccccc4)n1 InChIKey=MWLPQPLAGVTFDR-QFIPXVFZSA-O InChI=1S/C29H31N3O4/c1-22(24-11-5-3-6-12-24)32(20-28-31-27(21-35-28)29(33)30-16-17-34-2)19-23-10-9-15-26(18-23)36-25-13-7-4-8-14-25/h3-15,18,21-22H,16-17,19-20H2,1-2H3,(H,30,33)/p+1/t22-/m0/s1 InChI=1/C29H31N3O4/c1-22(24-11-5-3-6-12-24)32(20-28-31-27(21-35-28)29(33)30-16-17-34-2)19-23-10-9-15-26(18-23)36-25-13-7-4-8-14-25/h3-15,18,21-22H,16-17,19-20H2,1-2H3,(H,30,33)/p+1/t22-/m0/s1/fC29H32N3O4/h30,32H/q+1 C[C@@H](c1ccccc1)[NH+](Cc2cccc(c2)Oc3ccccc3)Cc4nc(co4)C(=O)NCCOC C01[X(C29H32N3O4)] 198 C01 604 COCCNC(=O)c1coc(n1)C[NH+]([C@H](c1ccccc1)C)Cc1cccc(c1)Oc1ccccc1 COCCNC(=O)c1coc(n1)C[NH]([C@H](c1ccccc1)C)Cc1cccc(c1)Oc1ccccc1 COCCNC(=O)c1coc(C[NH](Cc2cccc(Oc3ccccc3)c2)[C@@H](C)c4ccccc4)n1 InChIKey=RUJWQZXTUZTQTC-QFIPXVFZSA-N InChI=1S/C29H32N3O4/c1-22(24-11-5-3-6-12-24)32(20-28-31-27(21-35-28)29(33)30-16-17-34-2)19-23-10-9-15-26(18-23)36-25-13-7-4-8-14-25/h3-15,18,21-22,32H,16-17,19-20H2,1-2H3,(H,30,33)/t22-/m0/s1 InChI=1/C29H32N3O4/c1-22(24-11-5-3-6-12-24)32(20-28-31-27(21-35-28)29(33)30-16-17-34-2)19-23-10-9-15-26(18-23)36-25-13-7-4-8-14-25/h3-15,18,21-22,32H,16-17,19-20H2,1-2H3,(H,30,33)/t22-/m0/s1/f/h30H 3850.5130619920 -1579.4014066 1-A 18827.4886 129 475 604 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 8.0758 14.0516 16.6305 19.6926 24.5610 28.1009 32.8933 36.5074 45.0699 56.7658 66.3724 74.4913 85.3201 90.5553 94.1393 110.2997 116.7214 159.6113 180.1413 204.5089 216.9305 233.4751 239.7333 250.9437 261.0194 276.1516 285.3316 294.4958 296.9371 318.0193 333.3850 344.1286 356.1716 376.2563 389.6433 427.0326 436.9888 440.9015 454.4963 460.9670 464.8682 509.1722 530.4877 541.3667 573.3131 584.9389 600.0536 605.1481 619.9532 629.6689 655.9622 674.6141 675.9411 677.6165 678.9247 688.7016 755.4942 768.6990 774.5712 782.5272 806.9167 813.5148 850.6311 853.7727 859.9448 873.9241 880.4863 885.7435 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259.18 294.24 312.11 335.92 344.92 361.05 375.55 397.32 410.53 423.71 427.23 457.56 479.67 495.12 512.45 541.35 560.61 614.40 628.73 634.36 653.92 663.23 668.84 732.59 763.25 778.91 824.87 841.60 863.34 870.67 891.97 905.95 943.78 970.62 972.53 974.94 976.82 990.89 1086.99 1105.99 1114.44 1125.88 1160.97 1170.47 1223.87 1228.39 1237.27 1257.38 1266.82 1274.39 1297.99 1314.70 1361.75 1381.59 1382.46 1406.98 1412.14 1429.27 1438.89 1461.79 1498.02 1502.29 1513.61 1534.66 1558.26 1561.83 1564.43 1573.46 1581.34 1586.34 1595.76 1600.72 1614.70 1618.28 1626.13 1628.01 1641.06 1650.72 1652.35 1676.22 1688.87 1696.19 1714.71 1732.22 1738.65 1748.49 1749.81 1760.03 1765.41 1781.21 1803.31 1836.90 1843.61 1850.31 1867.29 1879.34 1884.54 1891.71 1905.97 1920.87 1934.03 1941.07 1945.80 1950.39 1984.02 1996.20 2001.82 2025.50 2058.09 2076.93 2100.86 2102.65 2114.98 2115.60 2158.72 2177.65 2194.26 2211.71 2252.31 2273.58 2274.47 2280.65 2325.71 2330.32 2332.07 2336.35 2349.10 2352.22 2357.11 2366.02 2367.89 2370.38 2375.56 2382.49 2399.04 2402.09 2407.09 2411.72 2472.87 2567.83 2568.81 2581.74 2587.79 2593.95 2598.91 2610.79 2626.44 2799.76 4575.88 4593.89 4632.51 4662.46 4664.66 4673.79 4710.84 4718.01 4731.77 4772.99 4776.29 4792.42 4797.97 4809.36 4815.44 4815.55 4830.33 4841.99 4848.12 4858.97 4863.37 4866.24 4871.96 4878.87 4882.01 4882.13 4893.24 4898.67 4922.50 5072.19 5313.84 5603.89 0.612151 0.643395 0.644339 0.541729 -1578.789256 -1578.758012 -1578.757068 -1578.859678 3.441556D-04 MUNgauss RevisionA2.0 retrievium 15-Feb-2020 DUDE C[C@@H](c1ccccc1)[NH+](Cc2cccc(c2)Oc3ccccc3)Cc4nc(co4)C(=O)NCCOC C36072145 RHF 6-31G(d) (6D,10F) C1 486.239282 |X|Y|Z| 101.404974 75.484894 53.352161 74.192005 28 6 7 8 24 2 2 |36.858105| |12.478624|36.858105| |8.912644|17.606071|0.500000| |7.551440|12.548708|0.247533|36.858105| |5.368608|7.572510|0.205237|13.718084|36.858105| |4.045952|5.017562|0.133516|7.905969|13.736526|36.858105| |3.767164|4.429135|0.111012|6.844137|7.939420|13.767054|36.858105| |4.330476|5.006094|0.116413|7.910500|6.882165|7.943856|13.732596|36.858105| |6.093061|7.517250|0.155141|13.680132|7.943549|6.875616|7.934531|13.771861|36.858105| |7.426616|12.370499|0.254133|7.653637|5.363279|4.041439|3.779089|4.369943|6.193209|53.358707| |6.626217|9.156417|0.182465|7.387953|5.003079|3.992739|3.957018|4.865747|7.138575|25.687122|0.500000| |6.349083|7.337685|0.183869|4.908189|3.863473|3.088724|2.920226|3.299027|4.293260|17.080707|0.257721|36.858105| |6.102364|5.667406|0.135388|4.173334|3.282429|2.735430|2.680042|3.102064|3.976316|10.150972|0.204016|12.601182|36.858105| |5.417661|4.576765|0.116463|3.466731|2.855965|2.413871|2.347312|2.651551|3.273231|7.017446|0.136093|7.615218|13.722221|36.858105| |4.332217|3.617760|0.091758|2.944784|2.469009|2.150775|2.132636|2.416325|2.896058|5.342571|0.109223|5.048260|7.958396|13.763948|36.858105| |3.908348|3.353902|0.082995|2.860771|2.381753|2.115525|2.148003|2.478995|2.940453|5.031835|0.108734|4.436486|6.844603|7.898007|13.760713|36.858105| |4.145525|3.721567|0.089144|3.221849|2.613453|2.322400|2.394159|2.834985|3.418846|5.888859|0.135434|5.016676|7.917768|6.859365|7.970596|13.728299|36.858105| |5.053166|4.790789|0.111219|3.943661|3.084659|2.662924|2.709262|3.236187|4.092001|8.448971|0.202383|7.559394|13.750383|7.934223|6.905346|7.915429|13.706480|36.858105| |3.458856|3.212152|0.077268|2.950440|2.429550|2.219846|2.344149|2.801312|3.260861|5.003086|0.118186|3.942711|5.298097|4.621604|5.210227|7.865400|14.131233|8.235023|73.516695| |2.864956|2.639235|0.065048|2.463570|2.089372|1.940482|2.050384|2.400480|2.700200|3.965451|0.090477|3.118193|3.989574|3.785322|4.499756|6.675326|8.018904|5.290617|24.547851|36.858105| |2.460816|2.315588|0.058256|2.157340|1.865142|1.738811|1.821072|2.089879|2.319626|3.514508|0.078637|2.811952|3.483849|3.372511|3.973943|5.448349|5.952756|4.367056|14.203039|13.783924|36.858105| |2.133167|2.002637|0.050980|1.887873|1.659911|1.563898|1.638308|1.856258|2.022601|2.970943|0.065537|2.347869|2.817141|2.798819|3.285570|4.211651|4.270948|3.343118|9.291435|7.986149|13.750059|36.858105| |2.080920|1.928193|0.049022|1.838273|1.622886|1.540309|1.622913|1.838432|1.983621|2.794244|0.061547|2.169909|2.583361|2.589644|3.043198|3.839341|3.814835|3.019952|8.188425|6.909647|7.922647|13.740035|36.858105| |2.311084|2.105942|0.052927|2.019338|1.766123|1.677004|1.780804|2.041674|2.209017|3.009624|0.066852|2.304806|2.774369|2.765943|3.263159|4.206361|4.230192|3.285576|9.293369|7.982045|6.862489|7.940785|13.748541|36.858105| |2.748335|2.480953|0.061239|2.361584|2.020854|1.899483|2.024431|2.367718|2.616097|3.580064|0.080967|2.739171|3.404683|3.316360|3.936077|5.440516|5.847203|4.242201|14.221629|13.787513|7.905508|6.866313|7.925458|13.740870|36.858105| |4.944184|7.673433|0.207402|6.405043|5.320312|4.112831|3.728889|4.048476|5.166848|17.351971|0.261370|7.741999|5.028981|3.863989|3.095553|2.947101|3.379590|4.478893|5.368652|2.479221|2.265552|1.946708|1.824831|1.933691|2.245354|36.858105| |3.816579|5.084366|0.131988|4.736762|4.055604|3.459298|3.333344|3.680913|4.413097|10.575560|0.216992|6.125548|4.546066|3.479984|2.903907|2.869224|3.387530|4.444874|5.584502|2.569467|2.386046|2.034898|1.880980|1.969845|2.282863|12.749397|36.858105| |3.651899|4.536603|0.111955|4.342713|3.605417|3.186468|3.227196|3.723710|4.433916|9.155562|0.223897|5.646666|4.729209|3.533311|3.037364|3.125122|3.866158|5.125836|6.587542|2.953026|2.727132|2.283292|2.090019|2.190073|2.571976|7.690149|15.035008|53.358707| |2.881833|3.430524|0.088156|3.371514|2.969698|2.732036|2.784766|3.107771|3.463935|6.197008|0.140788|4.153473|3.655890|2.916103|2.592846|2.687495|3.234884|3.963264|5.713269|2.671949|2.552036|2.171444|1.974086|2.031083|2.331453|5.330745|9.068836|18.575344|36.858105| |2.686588|3.250293|0.086938|3.188078|2.927503|2.691977|2.665012|2.856675|3.136284|5.699067|0.120560|3.838540|3.240711|2.666386|2.348746|2.371041|2.749510|3.317818|4.757956|2.281390|2.198887|1.907795|1.747879|1.790926|2.024546|5.386699|8.977504|11.717028|14.274008|36.858105| |3.079068|3.919551|0.107409|3.760872|3.469900|3.074545|2.935899|3.105119|3.505743|7.086984|0.140937|4.567396|3.569966|2.906672|2.483461|2.445071|2.803926|3.476356|4.703002|2.236764|2.124951|1.843862|1.703610|1.761995|2.001983|7.909884|14.412536|11.866083|8.767104|14.050562|73.516695| |2.495170|2.829627|0.072461|2.818199|2.504152|2.366922|2.471432|2.772048|2.994363|4.824553|0.110828|3.358146|3.181453|2.618713|2.420916|2.583111|3.119483|3.601457|5.798158|2.776184|2.709017|2.312517|2.081944|2.115142|2.404699|3.824925|5.366771|10.060982|12.777608|7.586724|9.357416|36.858105| |2.169957|2.437398|0.063634|2.435421|2.221249|2.125679|2.205589|2.414950|2.553801|4.024077|0.089525|2.843608|2.693224|2.288014|2.135716|2.258947|2.647101|2.968768|4.910829|2.432567|2.423283|2.117268|1.910525|1.917689|2.135206|3.233565|4.322292|7.155747|8.206847|6.706865|8.162012|15.853031|73.516695| |2.585893|2.850705|0.071394|2.849335|2.477906|2.350747|2.506710|2.894021|3.136289|4.797165|0.114305|3.353153|3.355008|2.747665|2.598425|2.869002|3.584282|4.034820|7.025188|3.314121|3.197819|2.675358|2.393763|2.445332|2.823690|3.550063|4.633409|8.933748|7.948750|5.215243|7.452071|14.247201|14.998164|53.358707| |2.233090|2.388003|0.060389|2.397391|2.121231|2.044685|2.194581|2.505482|2.646899|3.845520|0.089432|2.746329|2.832074|2.416071|2.359251|2.646070|3.224262|3.390517|6.592320|3.306833|3.303461|2.828409|2.516908|2.522139|2.840046|2.801395|3.426079|5.965933|5.047387|3.851313|5.696924|7.775153|11.942297|17.881952|36.858105| |2.223227|2.337478|0.058494|2.400500|2.119661|2.076314|2.281933|2.645687|2.734031|3.642288|0.085584|2.548850|2.675820|2.307442|2.289262|2.607971|3.179353|3.240614|6.774671|3.476888|3.357099|2.923667|2.681859|2.745670|3.093939|2.590145|3.032892|5.146218|4.013712|3.184353|4.948423|5.273442|8.212493|10.665004|12.576303|36.858105| |2.524043|2.600339|0.063850|2.648893|2.280303|2.207829|2.439819|2.910366|3.079329|4.050652|0.097425|2.841958|3.094549|2.639749|2.653204|3.121380|3.964524|3.936153|9.062131|4.504716|4.109498|3.436573|3.160877|3.335830|3.939691|2.760565|3.152319|5.403955|3.893939|3.066345|4.947753|4.677141|6.946793|9.434795|8.097933|13.632474|73.516695| |2.430304|2.447428|0.060053|2.537856|2.201250|2.165341|2.433485|2.916502|3.003953|3.656820|0.086877|2.542119|2.787984|2.441535|2.495413|2.944463|3.618807|3.468167|8.305571|4.407633|3.875754|3.395885|3.301001|3.615990|4.214642|2.464437|2.705218|4.431668|3.125761|2.573999|4.268439|3.548074|5.488787|6.362779|5.223779|8.105740|24.254319|36.858105| |17.595016|9.024627|0.214351|7.141077|5.641010|4.298282|3.917232|4.329322|5.717062|7.480810|0.139779|4.731648|4.553596|4.292720|3.645584|3.328559|3.446884|3.967657|5.306608|2.554818|2.211733|1.954334|1.932081|2.150329|2.511010|4.153095|3.273886|4.242324|2.540061|2.402814|4.861336|2.229267|3.496502|3.132571|2.019535|2.031556|4.059164|2.237743|0.500000| |17.647497|8.723771|0.215740|5.487165|4.316213|3.366751|3.123354|3.489756|4.584157|9.001988|0.157723|6.897836|6.865619|6.805293|5.072175|4.231019|4.248548|5.110060|6.063501|2.856738|2.487715|2.157546|2.090349|2.297620|2.711585|4.572224|3.587706|4.645655|2.741711|2.580017|5.246129|2.385449|3.718462|3.345158|2.138670|2.102671|4.222047|2.269822|0.302524|0.500000| |17.618651|8.733608|0.173322|6.716123|4.696204|3.781546|3.740600|4.550821|6.496900|9.124615|0.190676|5.862462|6.465709|5.571077|4.722311|4.500498|4.935692|5.912776|7.299894|3.322380|2.760856|2.365831|2.322094|2.630385|3.213227|4.475547|3.700528|5.076777|2.935080|2.660482|5.268877|2.595156|3.973698|3.760677|2.397551|2.425837|5.021248|2.748405|0.302237|0.301296|0.500000| |5.063889|7.026358|0.227996|8.894098|17.696718|8.933709|5.652074|4.955211|5.640201|6.842274|0.123343|3.805390|3.158150|2.808793|2.403899|2.273997|2.448721|2.879390|3.999724|1.951717|1.761814|1.574829|1.535347|1.657903|1.881369|5.198849|3.850000|4.523123|2.783867|2.814769|6.034992|2.339268|3.733570|3.109348|1.966386|1.941100|3.683031|1.989458|0.149831|0.119301|0.117636|0.500000| |3.418377|4.097453|0.114439|5.636594|8.924694|17.732772|8.915062|5.646457|4.954595|4.635899|0.092175|2.714241|2.409582|2.165706|1.942640|1.901771|2.060889|2.332003|3.510052|1.749480|1.584496|1.437407|1.417446|1.533352|1.716730|3.559942|3.049811|3.798040|2.460728|2.472152|4.993489|2.151404|3.491158|2.880498|1.862725|1.884303|3.518104|1.944229|0.101790|0.081844|0.088229|0.216146|0.500000| |3.126409|3.543999|0.090919|4.938223|5.646500|8.920713|17.733149|8.911570|5.646708|4.264513|0.091160|2.516460|2.342740|2.081398|1.918764|1.943999|2.151679|2.387754|3.796635|1.898508|1.699179|1.544087|1.536927|1.681349|1.888689|3.135928|2.899514|3.865084|2.530502|2.435569|4.669925|2.295948|3.697110|3.169569|2.076179|2.179330|4.087219|2.321936|0.090518|0.074062|0.087017|0.124300|0.214786|0.500000| |3.731127|4.084505|0.096273|5.637167|4.957976|5.648777|8.907533|17.732823|8.938337|5.125344|0.119036|2.976965|2.892872|2.491625|2.323240|2.434984|2.804705|3.115564|5.081844|2.475337|2.144426|1.913299|1.908653|2.133238|2.471075|3.484789|3.328941|4.764089|2.999948|2.709265|5.065994|2.771871|4.301881|4.032979|2.614931|2.847929|5.605790|3.254460|0.102712|0.085968|0.112749|0.107583|0.124121|0.214786|0.500000| |6.292619|6.919368|0.139651|8.844916|5.632102|4.951199|5.655321|8.971518|17.683114|8.721816|0.228974|4.627546|4.571690|3.654625|3.272134|3.420066|4.135488|5.001969|7.063865|3.182057|2.661107|2.281493|2.233701|2.519467|3.065106|4.928685|4.426145|6.453845|3.628882|3.162235|6.123150|3.198518|4.763141|4.727712|2.920617|3.052455|6.353382|3.485505|0.153126|0.133182|0.211784|0.123632|0.107516|0.124470|0.217310|0.500000| |6.414001|7.130409|0.205342|4.616265|3.817038|3.011908|2.770480|3.032937|3.854962|12.355464|0.182566|17.636653|8.829243|7.314310|4.780433|3.972704|4.175916|5.580840|5.931221|2.749830|2.510076|2.142598|1.999561|2.117123|2.469753|6.692792|5.023678|6.039364|3.484967|3.367411|7.204615|2.869908|4.446679|3.853820|2.381531|2.227313|4.357130|2.233706|0.137033|0.214556|0.150596|0.109145|0.074733|0.066616|0.075447|0.110886|0.500000| |4.703087|5.538608|0.145899|4.167786|3.438113|2.833805|2.696808|3.007039|3.754768|12.429778|0.212837|17.642688|8.935227|6.094801|4.414331|4.016221|4.590618|6.643839|6.675739|3.003875|2.790423|2.326828|2.117847|2.209827|2.594707|7.837396|7.215633|8.870053|4.854315|4.533244|9.651784|3.792025|5.687346|4.982342|2.940376|2.640378|5.126736|2.519067|0.104482|0.138081|0.124252|0.094564|0.070182|0.065517|0.076458|0.111227|0.302402|0.500000| |5.247809|4.474084|0.120624|3.335404|2.825866|2.368915|2.258082|2.492584|3.041447|6.548967|0.120441|7.045760|8.873714|17.713760|8.925584|5.633679|4.944719|5.635828|6.516227|3.129111|2.859009|2.446453|2.285638|2.418984|2.816070|3.758064|3.285675|4.370320|2.692186|2.533390|4.991692|2.395082|3.776441|3.347147|2.171211|2.067462|4.121278|2.157908|0.119233|0.196278|0.138287|0.079168|0.059690|0.055720|0.064401|0.091129|0.224408|0.158769|0.500000| |3.771650|3.151363|0.082072|2.610612|2.244010|1.972288|1.946018|2.169994|2.548710|4.499549|0.090624|4.113961|5.657445|8.939684|17.729941|8.960417|5.667640|4.969791|7.461974|3.892344|3.562525|3.084984|2.904004|3.075460|3.549243|2.701694|2.528454|3.548555|2.275244|2.095298|3.932292|2.140316|3.411008|3.097233|2.099014|2.044208|4.149656|2.224481|0.091893|0.123505|0.110960|0.061341|0.050034|0.049048|0.058063|0.078345|0.113691|0.102240|0.215879|0.500000| |3.303131|2.857115|0.071656|2.511639|2.132998|1.926577|1.968662|2.254049|2.605825|4.183954|0.090267|3.550325|4.941528|5.634681|8.918752|17.772335|8.893732|5.633747|12.522090|7.375375|6.148322|4.932934|4.574979|5.016343|6.318096|2.534435|2.491345|3.688973|2.393555|2.125771|3.852073|2.349324|3.706654|3.565816|2.488357|2.487934|5.274873|2.864732|0.080956|0.097906|0.104604|0.056632|0.048500|0.050068|0.062257|0.083213|0.090521|0.091349|0.124165|0.216130|0.500000| |4.637150|4.785903|0.109723|4.168191|3.231581|2.821534|2.920013|3.555711|4.497790|8.952143|0.242542|6.898600|8.819419|5.620301|4.971226|5.666107|9.013406|17.719671|13.668201|4.950068|4.149505|3.198438|2.887267|3.126173|3.995789|4.936163|5.263607|9.123146|4.891531|3.860688|7.041880|4.408626|6.178390|6.952776|4.046102|3.826097|8.391300|3.964719|0.103380|0.123263|0.148781|0.082268|0.068067|0.071313|0.095886|0.156084|0.139229|0.182347|0.123331|0.107857|0.124639|0.500000| |2.444457|2.343674|0.059309|2.163783|1.873301|1.737330|1.806649|2.062638|2.300581|3.642987|0.081220|2.968815|3.650692|3.480899|3.990943|5.259577|5.905227|4.568678|12.996120|8.944664|17.731068|8.865658|5.627858|4.947838|5.642136|2.374713|2.544093|3.988092|2.775652|2.378423|4.045968|2.972343|4.723887|4.762574|3.601805|3.481306|7.369201|3.687033|0.060538|0.069081|0.075092|0.049385|0.044036|0.046717|0.058316|0.072827|0.073022|0.083833|0.082011|0.098348|0.153587|0.121946|0.500000| |1.942569|1.843178|0.047391|1.737801|1.543066|1.456840|1.518576|1.702965|1.844779|2.741236|0.059911|2.174852|2.558332|2.553860|2.949208|3.614067|3.624555|2.962032|7.505497|5.670610|8.935831|17.726517|8.910522|5.646657|4.949254|1.824036|1.917449|2.909695|2.066347|1.832195|3.129690|2.215912|3.661797|3.440855|2.705548|2.741495|5.518773|3.018461|0.049634|0.054818|0.058989|0.040899|0.037411|0.039905|0.048590|0.057105|0.055545|0.060607|0.063000|0.078096|0.114592|0.079303|0.213963|0.500000| |1.873759|1.742896|0.044681|1.670403|1.491147|1.423353|1.496910|1.678625|1.792915|2.505219|0.054720|1.937373|2.263923|2.285778|2.652026|3.212563|3.149945|2.583662|6.499965|4.971985|5.640718|8.912023|17.729948|8.914612|5.641302|1.654598|1.702287|2.550565|1.786452|1.598565|2.768778|1.885243|3.112809|2.912788|2.264309|2.409203|4.907978|2.901384|0.048804|0.052340|0.057449|0.039339|0.036610|0.039620|0.048413|0.055402|0.050100|0.052684|0.056988|0.071616|0.104546|0.068984|0.123802|0.214820|0.500000| |2.197279|1.992489|0.050265|1.930676|1.703288|1.629915|1.735814|1.978850|2.114844|2.796057|0.061729|2.115138|2.502376|2.510316|2.921220|3.609058|3.581102|2.892012|7.508119|5.668533|4.947177|5.645907|8.911888|17.725425|8.930369|1.805245|1.823393|2.730755|1.863108|1.658214|2.913460|1.929593|3.130356|3.003262|2.271159|2.492850|5.288080|3.304135|0.057647|0.060390|0.069220|0.044411|0.041548|0.045803|0.057688|0.066374|0.054540|0.056041|0.061940|0.077761|0.117053|0.076808|0.107448|0.124115|0.214819|0.500000| |3.022067|2.676487|0.065264|2.574898|2.183268|2.055098|2.209163|2.618478|2.900757|3.775679|0.085942|2.823846|3.496416|3.376476|3.927576|5.252959|5.730436|4.327357|13.020873|8.945646|5.641680|4.949348|5.628958|8.862791|17.725594|2.334291|2.336530|3.562054|2.334042|2.031113|3.609534|2.370214|3.720607|3.767206|2.728783|3.009131|6.841507|4.242274|0.077163|0.081404|0.100638|0.055962|0.051245|0.057042|0.076388|0.095758|0.070824|0.072895|0.079785|0.097803|0.159971|0.113475|0.124450|0.107475|0.123804|0.213867|0.500000| |4.529233|6.511632|0.202613|5.167681|4.638658|3.623953|3.214272|3.373712|4.136274|12.319788|0.183474|7.520449|4.731692|3.830173|3.027130|2.801828|3.105353|4.003565|4.872894|2.294347|2.128422|1.844614|1.725880|1.813161|2.080608|17.627177|8.915820|7.971877|4.558077|4.892190|12.871451|3.385478|5.259768|4.229253|2.518505|2.311924|4.340060|2.192782|0.107832|0.123344|0.110534|0.135440|0.090424|0.076712|0.081812|0.109925|0.206918|0.222619|0.107963|0.074576|0.067243|0.116685|0.062255|0.048386|0.043709|0.047102|0.059610|0.500000| |4.757332|7.648469|0.212353|7.726553|6.943042|5.172527|4.474793|4.664664|5.819101|12.305664|0.210348|5.652600|4.116898|3.314557|2.740351|2.633866|2.988214|3.790702|4.861034|2.283082|2.078991|1.809735|1.716790|1.828805|2.108461|17.661988|9.016315|8.481799|4.684510|4.829867|12.078436|3.491617|5.347156|4.432401|2.618478|2.473714|4.649677|2.380388|0.116871|0.117218|0.118655|0.185076|0.122026|0.101993|0.107212|0.141553|0.145055|0.151654|0.090238|0.067494|0.064001|0.115734|0.059815|0.047104|0.043483|0.047889|0.061452|0.301798|0.500000| |2.348636|2.783348|0.075671|2.749644|2.592191|2.426433|2.396867|2.519324|2.701445|4.662357|0.097155|3.215528|2.774154|2.353076|2.101925|2.117544|2.410083|2.823193|4.201511|2.059453|2.011045|1.769648|1.624076|1.651383|1.841747|4.278803|6.103590|7.930035|8.606587|17.875463|16.266432|6.405688|11.844409|6.081699|3.529459|2.918567|4.883170|2.335664|0.059250|0.063126|0.064424|0.070045|0.063040|0.061865|0.066902|0.075079|0.080730|0.103734|0.062769|0.052789|0.053412|0.088947|0.060390|0.047638|0.041580|0.042650|0.051095|0.113147|0.110500|0.500000| |2.946766|3.239728|0.079256|3.220465|2.719046|2.547804|2.733482|3.245438|3.616669|5.559232|0.138551|3.835096|3.918399|3.109115|2.925743|3.278263|4.275444|4.955983|8.471523|3.785098|3.515173|2.865887|2.572267|2.677209|3.182119|3.934829|5.049591|10.347227|7.545073|4.936514|7.558450|9.412426|10.827038|26.067343|9.077690|7.262069|14.029055|5.204071|0.071781|0.077061|0.089058|0.068855|0.062796|0.069518|0.092260|0.115123|0.087660|0.114161|0.075872|0.069937|0.081769|0.187482|0.105719|0.073737|0.063041|0.066689|0.087586|0.093395|0.099121|0.113690|0.500000| |2.179025|2.292167|0.058229|2.253421|1.991083|1.901691|2.019213|2.294724|2.454150|3.693166|0.084864|2.727373|2.878418|2.488457|2.467571|2.799917|3.394928|3.468304|7.021898|3.600318|3.757868|3.183504|2.746543|2.687079|3.004005|2.649611|3.181327|5.423060|4.454136|3.504108|5.288826|6.305075|10.083674|12.424292|17.561044|8.919105|12.843298|4.848089|0.054577|0.058770|0.065054|0.051720|0.048286|0.052942|0.066014|0.075558|0.065868|0.081504|0.061792|0.061054|0.073744|0.112085|0.117824|0.085642|0.068287|0.066212|0.078166|0.067226|0.067940|0.089903|0.206499|0.500000| |2.027958|2.183533|0.055973|2.207242|1.990721|1.936439|2.068900|2.315838|2.407326|3.474758|0.079196|2.473462|2.498669|2.162718|2.102617|2.314938|2.742387|2.891801|5.453609|2.795099|2.823268|2.487273|2.236254|2.225168|2.454679|2.597185|3.180126|5.331630|4.743446|3.806531|5.500881|7.481791|13.787105|12.577272|17.649815|8.870317|10.278168|4.257291|0.051444|0.054075|0.059694|0.051593|0.049505|0.054906|0.066922|0.072189|0.060531|0.073933|0.054806|0.052598|0.060831|0.093582|0.085073|0.067144|0.056783|0.056368|0.065793|0.065619|0.068179|0.100774|0.180285|0.301617|0.500000| |1.999374|2.074940|0.052433|2.121806|1.897074|1.867273|2.042527|2.332589|2.389280|3.179626|0.073323|2.257515|2.385181|2.104771|2.117877|2.413733|2.865709|2.842352|6.110846|3.296785|3.280711|2.955398|2.721597|2.734015|2.984028|2.261708|2.597395|4.259825|3.326043|2.746922|4.309062|4.245382|7.029403|7.697685|8.901237|17.511019|16.503319|7.292626|0.051210|0.052945|0.060367|0.048627|0.047518|0.054704|0.069741|0.073341|0.055593|0.064783|0.052714|0.053183|0.065152|0.090071|0.093680|0.078087|0.068789|0.069256|0.079422|0.056953|0.060225|0.071447|0.145444|0.217450|0.211525|0.500000| |2.200906|2.344264|0.058707|2.467797|2.200498|2.190913|2.443444|2.828483|2.845802|3.606615|0.084709|2.457700|2.524337|2.174821|2.132816|2.389061|2.877511|2.992369|5.951458|3.036135|2.879169|2.547463|2.389270|2.480096|2.782467|2.606177|3.049690|5.111995|4.009255|3.225347|5.013887|5.138948|8.113484|9.513939|8.853813|17.502291|16.535415|7.194667|0.056348|0.057192|0.066337|0.055556|0.055240|0.065449|0.085828|0.086919|0.060034|0.070306|0.054655|0.053139|0.063075|0.098113|0.081898|0.066413|0.060263|0.063717|0.076961|0.064134|0.070470|0.082456|0.180055|0.174004|0.214923|0.300267|0.500000| |2.651437|2.603597|0.063215|2.673507|2.284427|2.224929|2.495740|3.033644|3.188221|3.847595|0.091848|2.692346|3.038512|2.672486|2.776216|3.359547|4.187647|3.862402|10.097098|5.375277|4.374999|3.764198|3.743882|4.320244|5.332221|2.518047|2.698950|4.377145|2.980978|2.473446|4.192177|3.251712|4.995852|5.674907|4.374287|5.853682|16.888995|17.631275|0.067567|0.068664|0.085141|0.057227|0.055151|0.065495|0.093769|0.105481|0.065597|0.072770|0.064811|0.068275|0.091283|0.120199|0.111010|0.089849|0.089196|0.108625|0.153869|0.062245|0.067282|0.061929|0.133779|0.117409|0.100036|0.147693|0.146519|0.500000| |2.154019|2.155022|0.053625|2.218126|1.956237|1.931697|2.149704|2.514778|2.568241|3.193062|0.074234|2.256870|2.472854|2.214865|2.291548|2.694131|3.200836|3.007241|7.248771|4.119471|3.805386|3.489097|3.426706|3.653792|4.022584|2.175171|2.377425|3.817138|2.752685|2.315172|3.825259|3.155408|5.047727|5.478536|4.767064|7.214922|16.470529|17.531893|0.055581|0.056543|0.066889|0.049633|0.048749|0.057569|0.077223|0.080986|0.055823|0.062468|0.054840|0.057566|0.074367|0.092715|0.099668|0.087286|0.085039|0.093398|0.108931|0.054577|0.058406|0.059316|0.118475|0.127966|0.112191|0.217557|0.173606|0.300097|0.500000| 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