Version2.4 2021-05-28T09:33:53Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 22-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1ccc(cc1)[C@H]2c3c([nH]c(=O)s3)S[C@H]([C@@H]2C(=O)c4cccc5c4CCCC5)C(=O)[O-] C00938270 RHF 6-31G(d) (6D,7F) COc1ccc(cc1)[C@H]2c3c([nH]c(=O)s3)S[C@H]([C@@H]2C(=O)c4cccc5c4CCCC5)C(=O)[O-] C01[X(C25H22N1O5S2)] 159 C1 547 COc1ccc(cc1)[C@@H]1[C@H]([C@@H](Sc2c1sc(=O)[nH]2)C(=O)[O-])C(=O)c1cccc2c1CCCC2 COc1ccc(cc1)[C@@H]1[C@H]([C@@H](Sc2c1sc(=O)[nH]2)C(=O)[O-])C(=O)c1cccc2c1CCCC2 COc1ccc(cc1)[C@@H]2[C@H]([C@@H](SC3=C2SC(=O)N3)C([O-])=O)C(=O)c4cccc5CCCCc45 InChIKey=CXOXMHMDZVNXID-XQBPLPMBSA-M InChI=1S/C25H23NO5S2/c1-31-15-11-9-14(10-12-15)18-19(22(24(28)29)32-23-21(18)33-25(30)26-23)20(27)17-8-4-6-13-5-2-3-7-16(13)17/h4,6,8-12,18-19,22H,2-3,5,7H2,1H3,(H,26,30)(H,28,29)/p-1/t18-,19+,22-/m1/s1 InChI=1/C25H23NO5S2/c1-31-15-11-9-14(10-12-15)18-19(22(24(28)29)32-23-21(18)33-25(30)26-23)20(27)17-8-4-6-13-5-2-3-7-16(13)17/h4,6,8-12,18-19,22H,2-3,5,7H2,1H3,(H,26,30)(H,28,29)/p-1/t18-,19+,22-/m1/s1/fC25H22NO5S2/h26H/q-1 COc1ccc(cc1)[C@H]2c3c([nH]c(=O)s3)S[C@H]([C@@H]2C(=O)c4cccc5c4CCCC5)C(=O)[O-] C01[X(C25H22N1O5S2)] 159 C01 547 COc1ccc(cc1)[C@@H]1[C@H]([C@@H](Sc2c1sc(=O)[nH]2)C(=O)[O-])C(=O)c1cccc2c1CCCC2 CO[C]1[CH][CH][C]([CH][CH]1)[C@H]1c2sc(=O)[nH]c2S[C@H]([C@@H]1C(=O)[C]1[CH][CH][CH][C]2[C]1CCCC2)[C]([O])[O] CO[C]1[CH][CH][C]([CH][CH]1)[C@@H]2[C@H]([C@@H](SC3=C2SC(=O)N3)[C]([O])[O])C(=O)[C]4[CH][CH][CH][C]5CCCC[C]45 InChIKey=VTHOICLSRWCHPV-XQBPLPMBSA-N InChI=1S/C25H22NO5S2/c1-31-15-11-9-14(10-12-15)18-19(22(24(28)29)32-23-21(18)33-25(30)26-23)20(27)17-8-4-6-13-5-2-3-7-16(13)17/h4,6,8-12,18-19,22H,2-3,5,7H2,1H3,(H,26,30)/t18-,19+,22-/m1/s1 InChI=1/C25H22NO5S2/c1-31-15-11-9-14(10-12-15)18-19(22(24(28)29)32-23-21(18)33-25(30)26-23)20(27)17-8-4-6-13-5-2-3-7-16(13)17/h4,6,8-12,18-19,22H,2-3,5,7H2,1H3,(H,26,30)/t18-,19+,22-/m1/s1/f/h26H 3846.3862726295 -2183.3720378 1-A 15379.1493 126 421 547 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.87560 -91.84718 -20.52159 -20.45321 -20.43819 -20.34261 -20.33776 -15.52995 -11.29696 -11.22872 -11.22407 -11.22088 -11.21292 -11.18430 -11.16616 -11.16446 -11.15867 -11.15854 -11.15471 -11.15301 -11.15253 -11.15014 -11.14657 -11.14416 -11.14323 -11.14257 -11.14182 -11.14143 -11.13837 -11.13718 -11.13393 -11.12970 -11.12552 -8.88699 -8.85618 -6.56951 -6.56850 -6.56649 -6.53910 -6.53727 -6.53543 -1.34968 -1.32430 -1.28931 -1.23261 -1.20424 -1.13027 -1.08505 -1.07471 -1.03735 -1.01147 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41.0812 29.8761 12.6098 5.7358 12.2625 14.1990 11.3030 49.9313 6.1213 2.3612 14.4708 9.4941 5.2258 38.8724 14.6513 16.1880 41.3641 2.8154 1.3293 27.6418 7.2848 1.1695 3.2903 8.9444 0.0132 7.1410 0.0285 3.3779 19.5787 13.6724 28.9272 39.8632 4.1304 10.2828 1.3030 52.8463 4.8489 0.5479 19.0853 20.5880 0.0271 2.5613 1.1278 23.2598 22.6040 11.8399 1.9672 13.6936 14.1036 11.6844 74.5051 29.6006 6.9801 365.4890 2.5087 47.1038 25.4459 17.0939 12.2317 55.3079 20.3098 6.7697 4.9052 421.2854 4.6360 46.5143 3.1067 20.7524 11.1523 29.1732 3.3269 3.0835 1.8696 3.0302 0.2414 22.9387 136.3323 12.6874 8.8711 2.5206 73.1589 60.8001 792.3824 1108.9774 192.4569 35.7196 40.4478 32.0513 53.6531 35.6937 82.8771 80.8779 5.8976 105.6270 55.1765 5.0617 13.9950 60.3192 27.1080 5.9940 10.1246 47.3856 10.5800 14.2326 14.6608 1.6087 93.4729 0.2938 1.6530 4.5053 3.1539 3.4737 1.6610 0.9166 1.8395 1.7696 1.0247 1.2428 0.5266 1.1940 0.4452 0.3811 0.8532 1.0734 0.3989 3.3424 2.0985 4.2962 1.1154 4.6695 2.3921 1.2907 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0.8571 0.6902 0.8366 0.6632 0.3097 0.8474 0.8181 0.2796 0.4390 0.6219 0.3786 0.0619 0.8144 0.5022 0.4148 0.2771 0.3445 0.8570 0.4297 0.6367 0.6502 0.6461 0.5170 0.7659 0.3953 0.7595 0.3717 0.3226 0.3298 0.4432 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 6 8 6 6 6 6 6 6 6 1 6 6 7 1 6 8 16 16 6 1 6 1 6 8 6 6 6 6 6 6 6 6 6 6 6 8 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 14.00307 1.00783 12.00000 15.99491 31.97207 31.97207 12.00000 1.00783 12.00000 1.00783 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 15.99491 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 11358.7970 18537.8529 25742.7734 0.99992 -0.01200 0.00322 0.01196 0.99984 0.01313 -0.00338 -0.01309 0.99991 1 0.00763 0.00467 0.00336 0.15888 0.09735 0.07011 22.03 32.96 41.54 50.95 70.85 86.51 94.28 103.33 120.02 146.05 166.41 182.29 201.66 205.75 225.36 251.22 271.25 277.39 322.28 349.34 365.14 392.57 398.15 423.35 439.64 449.56 481.74 490.42 558.31 560.32 586.97 635.02 655.69 673.11 686.91 692.89 722.59 725.49 732.86 746.53 787.26 802.37 848.50 862.83 885.61 916.05 921.55 956.79 980.92 992.60 1008.08 1059.74 1079.18 1096.48 1112.60 1151.18 1168.87 1205.63 1220.21 1239.33 1265.01 1282.74 1308.55 1327.88 1336.28 1339.50 1358.84 1362.78 1404.78 1427.75 1444.95 1473.40 1505.55 1513.02 1543.20 1550.05 1573.21 1596.96 1598.47 1613.47 1642.21 1670.83 1709.30 1714.18 1722.70 1729.52 1747.69 1789.62 1803.49 1820.75 1830.53 1838.34 1853.67 1863.07 1868.91 1878.44 1892.74 1909.60 1912.27 1922.02 1933.85 1941.99 1956.17 1965.54 2015.67 2045.21 2049.03 2053.45 2077.13 2147.74 2152.11 2167.47 2173.56 2182.91 2186.51 2197.84 2208.91 2283.06 2288.02 2310.21 2340.29 2347.57 2351.38 2356.41 2360.05 2375.37 2384.39 2393.23 2441.93 2558.16 2561.19 2583.55 2621.37 2642.42 2764.93 2800.31 2817.10 4558.99 4577.59 4585.71 4607.68 4619.95 4625.87 4640.16 4649.54 4653.71 4694.46 4715.39 4753.72 4765.27 4790.58 4798.44 4837.96 4841.30 4849.30 4873.76 4894.22 4962.06 5577.09 0.458854 0.486061 0.487005 0.398555 -2182.913183 -2182.885977 -2182.885033 -2182.973483 2.966628D-04 MUNgauss RevisionA2.1 retrievium 28-May-2021 DUDE COc1ccc(cc1)[C@H]2c3c([nH]c(=O)s3)S[C@H]([C@@H]2C(=O)c4cccc5c4CCCC5)C(=O)[O-] C00938270 RHF 6-31G(d) (6D,10F) C1 480.093942 |X|Y|Z| 71.277871 94.578916 36.787132 62.827290 26 6 7 16 23 1 2 |36.858105| |13.651082|73.516695| |8.021934|24.998773|36.858105| |5.266108|14.550379|13.730445|36.858105| |3.992522|9.399766|7.941907|13.787675|36.858105| |3.777261|8.143887|6.788315|7.868409|13.692452|36.858105| |4.523860|9.232580|7.944482|6.917607|8.027409|13.736609|36.858105| |6.739784|13.958356|13.734255|7.954101|6.903774|7.858109|13.742633|36.858105| |2.909951|5.957266|4.396209|4.988235|7.506981|12.474616|7.475925|4.971920|36.858105| |2.687393|5.580858|4.002091|4.831615|7.435118|8.999849|5.605709|4.195224|17.562811|0.500000| |2.668686|5.299450|3.755747|4.045562|5.379966|7.604189|6.085853|4.317930|12.615910|0.250629|36.858105| |2.319758|4.469837|3.041417|3.175820|3.941674|5.140083|4.618799|3.498909|7.490416|0.171042|14.365577|36.858105| |2.158929|4.103704|2.717786|2.798921|3.318531|4.049485|3.814219|3.077352|5.089979|0.125476|8.350266|13.666911|53.358707| |1.960898|3.682173|2.393384|2.445443|2.836742|3.374514|3.239469|2.689792|4.126444|0.104346|5.928097|9.019346|26.029861|0.500000| |2.267590|4.341575|2.864959|2.962527|3.461871|4.073162|3.835121|3.185259|4.727408|0.119650|7.480532|8.125119|19.089890|0.258978|36.858105| |2.100724|3.973079|2.551350|2.612918|2.944958|3.319904|3.200339|2.785511|3.666888|0.095489|5.106632|5.469077|11.375267|0.206615|15.942197|73.516695| |2.733912|5.450337|3.770309|4.048575|4.998583|5.973859|5.195526|4.146076|6.599522|0.164327|10.697874|7.439607|10.215975|0.151356|10.735653|12.727571|388.023441| |2.068664|3.923460|2.610282|2.698124|3.258156|4.098192|3.799661|2.982955|5.730621|0.138714|6.870508|10.866713|9.585176|0.185160|4.818852|6.798559|31.556207|388.023441| |2.194343|4.248671|2.870932|3.057427|3.831187|4.835600|4.173592|3.222423|7.365053|0.185205|6.455286|7.023030|6.427866|0.118577|3.799230|5.492924|28.748437|73.938424|36.858105| |2.075944|4.064632|2.723608|2.983809|3.774943|4.496565|3.721471|2.954900|6.845856|0.200964|6.018924|6.296833|6.098081|0.112920|3.708930|5.414724|28.277495|56.707241|17.605692|0.500000| |2.650874|5.233533|3.698898|3.959807|5.228753|7.417219|6.017557|4.270345|12.208631|0.247590|7.505166|6.492091|6.005990|0.106031|3.811755|5.469714|32.058309|48.110674|12.396759|0.245689|36.858105| |2.800879|5.391896|3.805941|3.838043|4.773700|6.950089|6.741050|4.667550|8.802887|0.175191|6.641835|6.073358|5.849000|0.104567|3.703297|5.369426|30.285005|45.842947|8.903128|0.174586|17.645053|0.500000| |2.634043|5.277157|3.664685|4.053975|5.232541|6.286329|5.061282|3.969791|7.665825|0.205788|4.963141|4.325531|4.483195|0.081742|2.990142|4.478817|25.222642|32.375743|7.588661|0.192018|12.338451|0.243140|36.858105| |2.405708|4.872019|3.307627|3.814132|4.934799|5.319638|4.148859|3.409775|6.565104|0.211324|4.502465|3.946576|4.206726|0.077246|2.845446|4.308105|23.943284|29.147944|6.581346|0.198236|8.104753|0.163740|15.908135|73.516695| |2.871549|5.666727|3.864430|4.061788|4.752935|5.419330|4.968291|4.194082|5.365586|0.138470|3.869455|3.436666|3.758270|0.069623|2.560873|3.930152|21.348805|25.527652|5.064763|0.126063|7.201518|0.195531|12.579807|14.238266|36.858105| |2.827564|5.332336|3.551168|3.490861|3.892322|4.607800|4.737215|4.067725|4.549457|0.111944|3.573829|3.314187|3.674162|0.069016|2.471427|3.819780|19.910178|25.477480|4.717458|0.111410|6.236485|0.201631|7.639830|9.539369|13.725269|36.858105| |2.905108|5.307307|3.382775|3.205341|3.357126|3.769658|4.060648|3.807832|3.536185|0.088909|2.922600|2.729707|3.148220|0.059799|2.158325|3.402806|17.214691|20.552087|3.524173|0.086299|4.341719|0.137489|5.040910|7.122235|7.900801|13.779688|36.858105| |3.059017|5.640028|3.489088|3.329410|3.353141|3.536945|3.727712|3.700585|3.201361|0.083052|2.636647|2.420897|2.837532|0.053818|1.985171|3.159630|16.047246|17.716316|3.014384|0.076643|3.684036|0.110179|4.449084|6.694032|6.876677|8.002615|13.839633|36.858105| |3.108043|6.024022|3.768723|3.797146|3.837133|3.842221|3.813203|3.775106|3.430242|0.091838|2.735125|2.456177|2.864144|0.053902|2.022722|3.209897|16.699787|17.656976|3.084550|0.080605|3.832264|0.108450|4.986589|7.806055|7.884908|6.870752|7.903600|13.701163|36.858105| |2.989085|6.007620|3.965098|4.260548|4.665365|4.701734|4.313410|3.985501|4.310564|0.117663|3.234791|2.849067|3.235597|0.060250|2.267370|3.543898|19.055251|20.472660|3.792402|0.100009|4.937745|0.132095|7.450556|11.456992|13.493783|7.863438|6.797007|7.887168|13.623170|36.858105| |2.795128|5.807238|3.775604|4.406962|4.880925|4.432624|3.794998|3.553361|4.122265|0.121674|3.108546|2.703162|3.109807|0.057808|2.214807|3.481823|18.852112|18.976234|3.483425|0.097253|4.328243|0.108925|6.331242|12.061171|7.429949|4.972253|4.401775|4.998020|7.525015|12.486177|36.858105| |2.658317|5.455017|3.329814|3.785306|3.847407|3.417057|3.073936|3.037650|3.137034|0.091795|2.516765|2.230185|2.643612|0.049704|1.906026|3.053516|15.947028|15.628649|2.725642|0.076335|3.217611|0.083729|4.210543|7.927562|4.904573|3.824915|3.708367|4.479860|6.637464|7.416548|12.455123|36.858105| |3.055058|6.212499|3.634156|3.924291|3.698433|3.290303|3.118262|3.246753|2.887479|0.081578|2.364747|2.096623|2.514518|0.047325|1.828054|2.948125|15.286064|14.545168|2.457839|0.067318|2.930917|0.079184|3.629485|6.400375|4.433281|3.719800|3.865197|5.025591|7.505952|6.557659|7.557546|12.517425|36.858105| |3.030961|5.870000|3.457019|3.509408|3.368373|3.195242|3.157840|3.272780|2.835223|0.077738|2.334966|2.102993|2.510686|0.047507|1.801173|2.899831|14.817346|14.902042|2.519769|0.067426|3.010072|0.083870|3.726576|6.248294|4.966804|4.438728|5.045046|7.648675|12.525895|7.444218|6.404859|7.705455|12.504515|36.858105| |1.993815|3.785817|2.486702|2.590496|3.081408|3.692222|3.398979|2.771189|4.774507|0.124147|4.275453|4.677171|4.887037|0.095281|2.969864|4.495734|21.747434|50.187018|12.174706|0.244455|7.350736|0.186911|6.326543|9.840738|4.898762|4.937824|3.716707|3.093001|3.071154|3.665984|3.261601|2.615863|2.363992|2.493495|36.858105| |1.793164|3.369587|2.176827|2.251336|2.624886|3.078259|2.887767|2.411164|3.870673|0.102168|3.737541|4.310516|4.755353|0.096538|2.847334|4.385738|19.891247|49.036089|8.090896|0.190475|5.212570|0.138236|4.517195|7.447461|3.735496|3.838129|3.091907|2.623019|2.580931|2.974160|2.710081|2.252397|2.055893|2.159141|15.570615|73.516695| |2.071458|3.929977|2.572275|2.667358|3.127890|3.684963|3.435527|2.851310|4.464908|0.116592|3.766150|3.865859|4.154743|0.080305|2.627029|4.027355|19.837491|36.035937|8.085350|0.181003|6.959917|0.184849|7.356634|10.807812|6.210989|6.440744|4.595531|3.713564|3.654066|4.412218|3.731982|2.948767|2.650952|2.867279|15.479105|15.167144|73.516695| |17.548855|16.443572|7.019309|4.753169|3.788609|3.718301|4.581092|6.739596|2.899696|0.073509|2.746513|2.399423|3.085466|0.057147|2.408116|3.992999|20.514626|15.004979|2.185294|0.057188|2.615124|0.077390|2.521814|4.083929|2.688005|2.681413|2.715325|2.771113|2.771077|2.714743|2.534820|2.376813|2.652708|2.649712|1.973254|3.178590|3.598077|0.500000| |17.627717|17.011758|5.877084|4.413507|3.412343|3.170962|3.621904|4.907277|2.530925|0.066139|2.339985|2.060519|2.636570|0.049295|2.037421|3.396784|17.177240|13.193180|1.963851|0.052085|2.325076|0.067476|2.337445|3.858790|2.540252|2.493126|2.585903|2.763630|2.824384|2.685520|2.561499|2.508038|2.911498|2.852708|1.802619|2.905499|3.330154|0.300048|0.500000| |17.553004|16.449622|7.066517|4.788043|3.814825|3.741978|4.600534|6.757996|2.913096|0.073982|2.635279|2.315554|2.899822|0.054000|2.195442|3.593375|18.539086|14.985713|2.255553|0.058644|2.742436|0.081919|2.752128|4.395954|3.101004|3.131092|3.318581|3.525180|3.475439|3.232538|2.913840|2.765693|3.238804|3.349731|2.078868|3.308116|3.888378|0.299153|0.299912|0.500000| |4.870418|13.452899|8.964148|17.729488|8.882861|5.607430|4.976144|5.665100|4.069116|0.114656|3.412140|2.762226|3.380407|0.061084|2.641636|4.226487|24.867336|16.973104|2.692403|0.074329|3.343870|0.089060|3.514829|6.114029|3.535730|3.040290|2.850360|3.032287|3.512537|3.859357|4.223431|3.854790|4.028720|3.426005|2.324527|3.634833|4.261861|0.119537|0.121038|0.120306|0.500000| |3.337586|7.610962|5.657985|8.973324|17.708098|8.919953|5.682407|4.967322|6.989751|0.230309|5.080931|3.797473|4.374926|0.076847|3.348012|5.096462|33.712340|22.605432|3.809165|0.109251|4.931587|0.118698|5.154865|9.484124|4.431428|3.540106|3.042800|3.062512|3.570030|4.437838|5.072283|3.985560|3.630558|3.203985|3.050462|4.642901|5.462591|0.088089|0.082181|0.088654|0.215209|0.500000| |3.928614|7.459647|5.664909|4.975356|5.679234|8.926854|17.716749|8.982068|6.929134|0.140196|6.294339|5.124906|5.689033|0.098990|4.034967|5.931101|35.980919|30.470294|4.473730|0.106104|6.291278|0.221210|4.856314|6.923579|4.740919|4.897603|4.151031|3.614486|3.528739|3.920715|3.364477|2.754241|2.779939|2.892975|3.670746|5.571399|6.491954|0.113581|0.089284|0.113729|0.107923|0.124476|0.500000| |7.465386|12.458589|8.863071|5.640429|4.971589|5.631593|8.964660|17.758352|4.076715|0.096532|3.731944|3.179202|3.900315|0.070805|2.948407|4.673300|25.778442|19.739538|2.913985|0.073637|3.709096|0.115922|3.433640|5.256027|3.707220|3.801733|3.718637|3.578643|3.483695|3.517788|3.085706|2.713466|2.948251|3.057251|2.579593|4.050591|4.724562|0.225582|0.145953|0.223952|0.124188|0.107827|0.218734|0.500000| |2.610868|4.865513|3.235275|3.169619|3.590479|4.411184|4.577885|3.794491|4.656336|0.111710|3.802892|3.668146|4.005651|0.075772|2.622904|4.026959|20.566572|29.783255|5.502584|0.122392|6.910692|0.246377|7.160225|8.978245|8.968760|17.811151|8.952705|5.685889|4.959676|5.626782|4.068265|3.209950|3.090620|3.554012|6.103755|8.206966|14.371942|0.070319|0.064053|0.079363|0.076670|0.091368|0.140181|0.100076|0.500000| |2.736386|4.854794|3.031544|2.820160|2.921134|3.296707|3.641905|3.460149|3.133613|0.078426|2.698969|2.579392|3.022730|0.058047|2.064515|3.281584|16.107586|19.649391|3.224078|0.078511|3.798992|0.122770|4.115941|5.979931|5.630278|8.921082|17.707704|8.919566|5.625733|4.912081|3.525864|3.084582|3.239242|4.117851|3.473796|5.299664|7.445838|0.072142|0.068102|0.087257|0.070153|0.073731|0.106988|0.097371|0.215557|0.500000| |2.987477|5.347234|3.178777|2.979189|2.919034|3.030246|3.239551|3.327753|2.739528|0.071493|2.324940|2.155017|2.573320|0.049154|1.813120|2.918292|14.497330|15.704130|2.589033|0.066391|3.068303|0.091676|3.554734|5.530179|4.950542|5.670533|8.945779|17.672394|8.934728|5.627180|4.085801|3.941639|4.639947|7.196681|2.666705|4.125207|5.558321|0.074833|0.076374|0.096887|0.076796|0.074412|0.087774|0.092020|0.124670|0.214953|0.500000| |3.055704|6.608512|4.446451|5.628461|6.483499|5.357460|4.318739|4.026522|4.735791|0.143526|3.469316|2.914875|3.346080|0.061391|2.420053|3.781119|21.299102|19.693801|3.570313|0.100596|4.573631|0.112975|6.319690|12.127567|6.591213|4.544783|3.963917|4.345925|6.009487|8.920484|17.542597|8.879777|6.558356|5.293967|3.179872|4.717576|6.226699|0.076888|0.077046|0.086607|0.149542|0.194534|0.102096|0.093745|0.106616|0.090180|0.100870|0.500000| |2.449121|5.009046|3.243325|3.773492|4.342274|4.076312|3.430093|3.123462|4.095599|0.125280|3.109701|2.748877|3.145238|0.058773|2.214115|3.475795|18.555821|19.730516|3.730632|0.107432|4.427161|0.107438|6.737391|14.928879|6.871344|4.657705|3.983126|4.273022|5.787383|8.914774|17.682006|8.879864|5.543532|4.965845|3.534355|5.195182|7.210948|0.062852|0.062704|0.070384|0.100684|0.130635|0.086639|0.076178|0.110427|0.090727|0.098669|0.306721|0.500000| |2.540653|5.279066|3.186670|3.733966|3.777343|3.243565|2.869101|2.844919|2.994624|0.089680|2.437436|2.152706|2.577516|0.048450|1.877303|3.023440|15.765132|14.886968|2.559750|0.072988|2.969244|0.076339|3.752835|7.318198|4.061218|3.234734|3.097321|3.593754|4.870381|5.481350|8.880432|17.523498|8.794120|5.549001|2.420098|3.751907|4.733208|0.063402|0.067326|0.071849|0.109889|0.112932|0.071051|0.070328|0.077855|0.073467|0.090012|0.223495|0.208542|0.500000| |2.350513|4.692780|2.834148|3.133554|3.219576|2.967345|2.710374|2.655531|2.815383|0.082065|2.302448|2.082281|2.478589|0.047033|1.771743|2.851523|14.520912|14.906438|2.597130|0.072845|2.971920|0.077727|3.873129|7.339331|4.513687|3.650028|3.595239|4.329288|6.101695|6.435187|8.830965|17.495486|8.908962|7.136707|2.568557|3.963429|5.210186|0.059045|0.062030|0.068351|0.087803|0.092519|0.069107|0.067181|0.085970|0.084110|0.107764|0.174813|0.221237|0.303411|0.500000| |3.613962|7.668671|4.448151|4.864074|4.320760|3.687148|3.504787|3.771611|3.093406|0.086860|2.523105|2.199197|2.642336|0.049357|1.942979|3.128745|16.551850|14.920082|2.494018|0.068102|3.033112|0.082230|3.658080|6.362360|4.372017|3.670828|3.758029|4.726614|6.654382|6.153037|6.969254|8.862967|17.507679|8.848225|2.342640|3.620506|4.596608|0.085078|0.095056|0.105243|0.141738|0.115093|0.084402|0.093339|0.085376|0.088006|0.120697|0.195394|0.140695|0.209093|0.174045|0.500000| |2.810410|5.609468|3.165091|3.378413|3.144511|2.803045|2.681268|2.819194|2.494376|0.070741|2.096192|1.878221|2.283719|0.043251|1.668118|2.716633|13.789333|13.038728|2.162103|0.059568|2.514046|0.068102|3.020889|5.395207|3.553063|3.098128|3.255997|4.122998|5.488986|4.812550|5.486881|8.787627|17.515760|8.839421|2.094315|3.289381|4.130226|0.067974|0.076368|0.081949|0.098836|0.086687|0.067181|0.072375|0.073480|0.078395|0.111450|0.137834|0.123600|0.213126|0.210808|0.302199|0.500000| |2.596503|4.942132|2.888969|2.944162|2.879145|2.766361|2.720953|2.775343|2.537089|0.070102|2.123659|1.943613|2.333640|0.044519|1.665391|2.695276|13.477481|13.991430|2.358200|0.063473|2.731966|0.075817|3.367556|5.759120|4.353286|3.997900|4.565891|6.569194|8.883427|6.058844|5.460561|6.846960|8.905302|17.481260|2.387158|3.713333|4.907846|0.064171|0.068758|0.078972|0.080466|0.077526|0.070639|0.072950|0.091192|0.107082|0.182823|0.122986|0.127705|0.141612|0.208765|0.174257|0.219069|0.500000| |3.298942|6.198438|3.516084|3.416771|3.166853|3.019864|3.090890|3.323155|2.634888|0.071233|2.214796|2.000810|2.414710|0.045778|1.742948|2.823097|14.284082|14.068023|2.319407|0.061606|2.760020|0.078435|3.264865|5.398693|4.240977|4.031631|4.791251|7.243094|8.912630|5.679094|4.870698|5.561689|8.826968|17.527739|2.289270|3.564918|4.614664|0.078789|0.087162|0.103830|0.092792|0.082073|0.078973|0.088426|0.091615|0.113375|0.218766|0.121018|0.109281|0.123523|0.143046|0.216178|0.209315|0.304091|0.500000| 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