Version2.4 2021-05-25T19:42:22Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 31-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H]1Cc2cc(ccc2O1)C(=O)C3=C(C(=O)N([C@H]3c4cccs4)CCc5ccccc5)[O-] C09454441 RHF 6-31G(d) (6D,7F) C[C@@H]1Cc2cc(ccc2O1)C(=O)C3=C(C(=O)N([C@H]3c4cccs4)CCc5ccccc5)[O-] C01[X(C26H22N1O4S1)] 156 C1 528 C[C@H]1Oc2c(C1)cc(cc2)C(=O)C1=C([O-])C(=O)N([C@H]1c1cccs1)CCc1ccccc1 C[C@H]1Oc2c(C1)cc(cc2)C(=O)C1=C([O-])C(=O)N([C@H]1c1cccs1)CCc1ccccc1 C[C@@H]1Cc2cc(ccc2O1)C(=O)C3=C([O-])C(=O)N(CCc4ccccc4)[C@H]3c5sccc5 InChIKey=OWJNJDNSZDZKDL-MWTRTKDXSA-M InChI=1S/C26H23NO4S/c1-16-14-19-15-18(9-10-20(19)31-16)24(28)22-23(21-8-5-13-32-21)27(26(30)25(22)29)12-11-17-6-3-2-4-7-17/h2-10,13,15-16,23,29H,11-12,14H2,1H3/p-1/t16-,23+/m1/s1 InChI=1/C26H23NO4S/c1-16-14-19-15-18(9-10-20(19)31-16)24(28)22-23(21-8-5-13-32-21)27(26(30)25(22)29)12-11-17-6-3-2-4-7-17/h2-10,13,15-16,23,29H,11-12,14H2,1H3/p-1/t16-,23+/m1/s1/fC26H22NO4S/h29h/q-1 C[C@@H]1Cc2cc(ccc2O1)C(=O)C3=C(C(=O)N([C@H]3c4cccs4)CCc5ccccc5)[O-] C01[X(C26H22N1O4S1)] 156 C01 528 C[C@H]1Oc2c(C1)cc(cc2)C(=O)C1=C([O-])C(=O)N([C@H]1c1cccs1)CCc1ccccc1 C[C@H]1O[C]2[C]([CH][C]([CH][CH]2)[C]([C]2[C](=O)C(=O)N([C@H]2[C]2=[CH][CH]=CS2)CC[C]2[CH][CH][CH][CH][CH]2)=O)C1 C[C@@H]1C[C]2[CH][C]([CH][CH][C]2O1)C(=O)[C]3[C@@H](N(CC[C]4[CH][CH][CH][CH][CH]4)C(=O)C3=O)c5sccc5 InChIKey=OWQDACHBGBDJFU-MWTRTKDXSA-N InChI=1S/C26H22NO4S/c1-16-14-19-15-18(9-10-20(19)31-16)24(28)22-23(21-8-5-13-32-21)27(26(30)25(22)29)12-11-17-6-3-2-4-7-17/h2-10,13,15-16,23H,11-12,14H2,1H3/t16-,23+/m1/s1 InChI=1/C26H22NO4S/c1-16-14-19-15-18(9-10-20(19)31-16)24(28)22-23(21-8-5-13-32-21)27(26(30)25(22)29)12-11-17-6-3-2-4-7-17/h2-10,13,15-16,23H,11-12,14H2,1H3/t16-,23+/m1/s1 3245.0956096906 -1748.8287768 1-A 17908.1163 117 411 528 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0.8495 0.8517 0.8569 0.8555 0.7838 0.8498 0.8494 0.6381 0.8338 0.8140 0.6282 0.8162 0.6480 0.6526 0.3966 0.8565 0.8562 0.5983 0.6171 0.4753 0.4807 0.1226 0.8245 0.6845 0.8233 0.8203 0.6553 0.4943 0.6501 0.7626 0.8544 0.8545 0.6450 0.8564 0.8294 0.4297 0.8527 0.0860 0.2735 0.8543 0.2827 0.8203 0.1432 0.8213 0.6641 0.8123 0.8559 0.3184 0.8568 0.2796 0.1211 0.8566 0.2186 0.5787 0.8144 0.3551 0.8355 0.8450 0.8537 0.1006 0.6252 0.2461 0.8400 0.7334 0.8554 0.3711 0.6290 0.2352 0.6042 0.2647 0.8117 0.8545 0.4923 0.1507 0.7756 0.8417 0.8483 0.8524 0.7031 0.4454 0.3983 0.4452 0.8505 0.6662 0.7782 0.8496 0.8571 0.8378 0.1719 0.8481 0.8159 0.3546 0.3587 0.8283 0.3776 0.3872 0.7454 0.4594 0.5632 0.8173 0.7920 0.8448 0.8416 0.6392 0.7469 0.7768 0.5258 0.7590 0.6926 0.6468 0.7168 0.8363 0.6848 0.7775 0.2838 0.7128 0.8383 0.8053 0.8418 0.5700 0.8560 0.8479 0.6320 0.7091 0.8073 0.4632 0.4524 0.2971 0.1503 0.2132 0.1628 0.3271 0.2039 0.6904 0.8483 0.8127 0.5452 0.7642 0.8562 0.8512 0.8354 0.7231 0.8545 0.8299 0.1985 0.3274 0.3051 0.3689 0.3758 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 6 6 1 6 6 6 6 6 6 6 8 6 8 6 6 6 8 7 6 1 6 6 6 6 16 6 6 6 6 6 6 6 6 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 1.00783 7868.5414 26463.2282 30153.4211 1.00000 0.00155 -0.00235 -0.00157 0.99999 -0.00518 0.00234 0.00518 0.99998 1 0.01101 0.00327 0.00287 0.22936 0.06820 0.05985 21.44 27.04 35.45 39.54 49.93 63.35 71.09 80.41 89.84 108.09 114.86 148.70 159.49 214.50 234.46 250.92 286.82 305.48 368.97 386.54 403.53 408.08 448.74 482.39 503.54 508.26 529.53 549.95 564.52 614.92 656.74 658.62 679.15 684.00 768.90 796.61 812.00 840.34 852.25 889.57 919.65 947.34 976.95 980.29 987.36 1016.01 1048.11 1107.21 1124.50 1128.47 1147.05 1150.49 1175.62 1191.21 1205.96 1224.78 1238.87 1265.34 1293.44 1296.09 1307.39 1319.69 1340.00 1358.07 1374.64 1382.32 1403.86 1449.58 1481.23 1485.10 1496.89 1506.60 1564.31 1565.75 1567.91 1582.15 1598.97 1603.66 1617.48 1619.89 1627.88 1657.14 1678.38 1703.60 1722.83 1728.80 1743.67 1748.34 1778.65 1782.34 1803.16 1834.63 1853.10 1870.27 1887.46 1899.82 1913.21 1934.11 1942.56 1948.82 1964.29 1996.08 2022.69 2027.51 2073.23 2074.98 2116.99 2133.53 2146.30 2151.51 2183.19 2192.16 2206.25 2240.59 2253.69 2274.61 2300.92 2329.29 2346.96 2349.66 2360.49 2360.81 2369.65 2374.30 2399.13 2402.64 2525.88 2564.51 2578.52 2602.77 2604.46 2617.93 2799.11 2820.81 4566.38 4605.37 4613.60 4643.51 4663.18 4666.22 4679.94 4699.69 4700.27 4723.76 4740.60 4803.44 4816.23 4831.49 4843.62 4847.40 4851.53 4858.33 4873.13 4875.13 4876.08 4931.42 0.454902 0.480974 0.481919 0.393153 -1748.373875 -1748.347802 -1748.346858 -1748.435624 2.977226D-04 MUNgauss RevisionA2.1 retrievium 25-May-2021 DUDE C[C@@H]1Cc2cc(ccc2O1)C(=O)C3=C(C(=O)N([C@H]3c4cccs4)CCc5ccccc5)[O-] C09454441 RHF 6-31G(d) (6D,10F) C1 444.126955 |X|Y|Z| 56.808792 35.886526 115.727532 61.791379 28 6 7 8 16 25 1 1 1 |36.858105| |12.528406|36.858105| |8.885709|17.596908|0.500000| |7.427114|12.301491|0.241336|36.858105| |5.690211|8.042845|0.165708|12.630956|36.858105| |4.157524|5.105386|0.116540|7.223900|13.836676|36.858105| |3.467657|4.074049|0.096244|4.932485|7.945357|13.654093|36.858105| |3.535393|4.145218|0.098201|4.501292|6.931642|7.949497|13.719097|36.858105| |4.342122|5.304846|0.122270|5.204548|7.897583|6.803310|7.831137|13.683190|36.858105| |5.912123|8.409456|0.173354|8.148259|13.782129|7.972291|6.900058|8.057922|13.848508|36.858105| |7.941574|13.339969|0.261586|7.991951|8.336722|5.338923|4.632320|5.219405|7.857739|14.029903|73.516695| |2.774204|3.114249|0.076226|3.704772|5.042571|7.599850|12.512502|7.457712|4.961158|4.449644|6.014748|36.858105| |2.708022|2.942325|0.071844|3.535526|4.554763|6.648266|8.207053|5.508939|4.112229|3.895957|5.473081|15.695839|73.516695| |2.371483|2.664829|0.067137|3.054227|3.931422|5.197661|7.498740|6.060047|4.237809|3.688018|5.203696|13.316702|14.378728|36.858105| |2.039050|2.235454|0.057033|2.516417|3.073468|3.842727|4.924679|4.295692|3.276088|2.911867|4.291128|7.548732|11.414834|13.451524|36.858105| |1.847838|2.036184|0.052848|2.243822|2.679237|3.184602|3.931936|3.694763|2.949716|2.609597|3.936561|5.076771|7.658665|8.081904|12.366279|36.858105| |1.657113|1.805005|0.047209|1.966056|2.292512|2.657012|3.160728|3.024532|2.507920|2.246038|3.462648|3.902311|6.231734|5.405120|7.715514|15.848947|73.516695| |1.960962|2.204967|0.057523|2.421372|2.923857|3.435156|4.289869|4.155855|3.312857|2.890781|4.329434|5.121492|7.254585|8.176126|8.158751|14.076270|14.960290|53.358707| |2.304997|2.650431|0.068131|2.967402|3.764666|4.607511|6.232625|5.862914|4.327133|3.693509|5.288575|7.278816|9.071800|12.536569|7.914511|8.087170|9.664840|17.782137|36.858105| |2.409364|2.781306|0.071335|3.021733|3.885530|4.532462|6.281457|6.945890|5.064009|4.045240|5.746612|6.316713|8.050181|8.659383|6.031302|6.236213|8.223018|12.525652|17.508579|0.500000| |2.377525|2.817373|0.073728|3.227966|4.002050|4.794223|5.697654|5.112911|4.144143|3.795460|5.516348|5.859090|7.870627|7.394535|5.367037|5.478010|7.456970|10.575897|12.534059|0.253553|36.858105| |2.449803|2.974773|0.079663|3.320014|4.002384|4.388503|4.866426|4.755836|4.234610|3.949539|5.909338|4.464279|6.319932|5.039747|3.938859|4.105354|6.003085|7.546600|7.407286|0.200962|14.126135|36.858105| |2.365495|2.887260|0.079437|3.267157|3.683797|3.917007|3.963927|3.731906|3.501250|3.499980|5.482443|3.677944|5.527826|3.939251|3.262770|3.357213|5.118746|5.694056|5.007928|0.131041|8.171591|13.254961|36.858105| |2.249488|2.693497|0.073453|3.148731|3.498909|3.888121|3.846959|3.414979|3.120637|3.169478|4.948921|3.782938|5.839931|4.037571|3.422865|3.453427|5.278001|5.609329|4.791080|0.116892|7.666292|8.248868|14.171896|36.858105| |2.225943|2.604814|0.068833|3.086994|3.611803|4.384330|4.633637|3.862940|3.280172|3.217728|4.834142|5.099924|7.649706|5.832991|4.829039|4.702153|6.793964|7.560936|6.681768|0.142817|10.964715|7.478778|7.457575|11.027128|388.023441| |1.799625|2.021091|0.053579|2.170760|2.550082|2.862438|3.411303|3.457316|2.930169|2.577209|3.976371|3.756235|5.570774|5.108317|5.115649|7.800911|12.065384|17.989136|7.447876|0.190790|6.100095|5.205285|4.049473|3.825935|32.448718|36.858105| |1.653678|1.854924|0.049769|2.004217|2.289639|2.547710|2.895033|2.843131|2.486273|2.269890|3.571323|3.175853|4.894744|4.075992|4.189840|5.911267|10.227368|10.432994|5.334265|0.131318|5.271704|4.691723|4.061498|4.014154|32.844184|12.399131|36.858105| |1.517031|1.691405|0.045857|1.794310|2.011992|2.178184|2.427087|2.440789|2.205504|2.024527|3.255464|2.576029|4.047421|3.133930|3.190502|4.170791|7.583173|6.795726|3.918445|0.103736|3.940987|3.841672|3.476496|3.330476|24.964765|7.540013|12.594101|36.858105| |1.387465|1.526295|0.041340|1.607283|1.790052|1.930183|2.146025|2.167917|1.969004|1.806780|2.927708|2.293308|3.670616|2.751971|2.892285|3.753779|7.277944|5.634796|3.264880|0.087518|3.153576|3.039246|2.777307|2.697892|20.434396|5.737879|7.540145|13.684073|36.858105| |1.292927|1.415519|0.038589|1.474998|1.622987|1.723978|1.892017|1.928005|1.785244|1.648811|2.709098|1.986239|3.210589|2.316546|2.400269|2.965903|5.660445|4.398420|2.697039|0.073855|2.644884|2.625465|2.450880|2.357855|17.290382|4.195972|5.006713|7.880856|13.753640|36.858105| |1.298120|1.427979|0.039229|1.479253|1.615076|1.694836|1.840058|1.885176|1.772644|1.648244|2.733076|1.894634|3.055995|2.174652|2.196041|2.637728|4.862608|4.002963|2.554554|0.070815|2.582751|2.654034|2.524039|2.384923|16.851369|3.756296|4.417148|6.802622|7.928112|13.744012|36.858105| |1.401565|1.559524|0.043003|1.620035|1.771145|1.853838|2.006445|2.054914|1.938103|1.807356|2.992254|2.043013|3.260309|2.346737|2.316120|2.768461|4.946843|4.358161|2.831002|0.078564|2.962536|3.137545|3.012716|2.786782|19.116547|4.148238|5.003400|7.878765|6.894815|7.963516|13.753683|36.858105| |1.524230|1.711317|0.046905|1.800209|1.994881|2.117826|2.317547|2.353258|2.179961|2.021595|3.294608|2.382176|3.745825|2.803456|2.749215|3.377036|5.923345|5.552827|3.511632|0.095686|3.738235|3.927751|3.690527|3.403090|23.657533|5.620570|7.534031|13.694177|7.979794|6.897858|7.930513|13.744471|36.858105| |1.925750|2.070003|0.052788|2.324473|2.775347|3.424740|4.173358|3.641872|2.877511|2.609816|3.912068|6.169555|11.051129|7.884377|15.779668|7.973520|11.713732|7.494187|5.287519|0.122712|4.069145|3.179340|2.751455|2.919228|28.010299|3.986371|3.462582|2.756168|2.576767|2.176898|1.985445|2.062170|2.392927|73.516695| |17.554022|8.843758|0.173766|6.869458|5.977745|4.508503|3.781498|3.835117|4.626944|6.108941|12.611188|3.013521|5.307130|2.520560|2.164682|1.932106|3.071452|2.763219|2.394865|0.069469|2.418309|2.439035|2.315653|2.221864|16.044244|1.841271|1.678237|1.529483|1.403565|1.302353|1.298680|1.395633|1.522309|3.658719|0.500000| |17.564288|8.844796|0.213070|5.443776|4.593814|3.515426|3.081473|3.252163|4.053243|5.155790|12.893861|2.504764|4.313827|2.188175|1.900156|1.743807|2.798874|2.522984|2.153757|0.063200|2.204735|2.292891|2.205096|2.074861|14.519362|1.721544|1.579857|1.463408|1.344383|1.260337|1.269166|1.367152|1.476223|3.191252|0.300752|0.500000| |17.531396|8.830342|0.212814|6.655048|4.805099|3.713942|3.073818|3.039457|3.555666|4.626392|10.122997|2.541646|4.485683|2.185886|1.904100|1.727887|2.772254|2.478502|2.115385|0.060568|2.200175|2.257811|2.222444|2.145471|15.012717|1.675487|1.558099|1.432727|1.313745|1.227116|1.232703|1.328627|1.440502|3.224098|0.300308|0.300175|0.500000| |7.322956|8.685527|0.185034|17.554943|8.743229|6.371856|4.426675|3.926969|4.314518|6.032692|10.502899|3.516524|6.247683|2.866996|2.412800|2.127559|3.340148|3.062537|2.707178|0.075449|2.892055|2.896118|2.867039|2.845625|20.279856|2.009404|1.868282|1.673487|1.512013|1.389218|1.386692|1.507012|1.667453|4.040641|0.201380|0.144254|0.204898|0.500000| |5.614716|8.686962|0.224734|17.535410|8.827805|6.220495|4.424973|3.995404|4.459793|6.330650|11.235357|3.466280|5.831546|2.949380|2.445014|2.213539|3.457084|3.280174|2.933383|0.081892|3.323112|3.498004|3.606700|3.493223|23.262299|2.181344|2.047093|1.836001|1.633007|1.500103|1.513317|1.669464|1.858501|3.994077|0.139849|0.124386|0.150245|0.302240|0.500000| |3.746307|4.419913|0.104443|6.446416|8.889667|17.728647|8.933530|5.660593|4.917095|5.648372|7.649361|7.142054|12.663880|4.929733|3.803952|3.106479|4.649206|4.444313|4.217875|0.109876|4.488236|4.002073|3.750492|3.943786|32.397362|2.713234|2.477302|2.109318|1.875351|1.673149|1.639823|1.787860|2.041254|6.185783|0.112004|0.087766|0.097265|0.175413|0.164924|0.500000| |3.009855|3.404836|0.083084|3.591262|4.983138|5.656890|8.951418|17.723533|8.937489|5.705135|7.457516|6.923475|9.110918|6.465109|4.699353|4.120855|5.954567|6.318667|6.398737|0.230761|4.970271|4.521653|3.471138|3.174797|25.978551|3.834343|3.023216|2.590711|2.318419|2.049670|1.984496|2.145828|2.460528|6.958753|0.090272|0.078828|0.073005|0.089512|0.090805|0.124588|0.500000| |4.008551|4.676628|0.112508|4.261027|5.625849|4.916667|5.586606|8.820603|17.725393|8.911057|12.476867|4.043472|6.111797|3.660784|2.951910|2.739653|4.216410|4.187290|3.841098|0.127864|3.629195|3.797163|3.161137|2.785186|20.465590|2.810291|2.375495|2.150332|1.936444|1.773320|1.768316|1.925695|2.139879|4.650598|0.116624|0.109651|0.091280|0.100691|0.104156|0.106934|0.213614|0.500000| |2.491209|3.026658|0.081319|3.240081|3.918617|4.102729|4.644836|4.990156|4.623229|4.128041|6.239545|4.091978|5.818034|4.558426|3.615339|3.811561|5.668533|6.979719|6.637560|0.211472|8.934992|17.726443|8.580985|5.736304|37.769878|5.093383|4.352321|3.754553|3.011533|2.643655|2.700962|3.197301|3.920702|5.246602|0.068667|0.065728|0.062984|0.077754|0.093088|0.100606|0.135160|0.119492|0.500000| |2.334044|2.861242|0.080787|3.148233|3.411650|3.454509|3.417099|3.319465|3.258793|3.316026|5.404408|3.112356|4.787274|3.261552|2.769134|2.856816|4.465847|4.724635|4.006467|0.109354|5.702033|8.571044|17.724919|8.905085|37.679468|3.481520|3.525577|3.191405|2.589124|2.344010|2.467126|2.970129|3.521575|4.244249|0.062490|0.061023|0.061149|0.076363|0.097979|0.091479|0.085850|0.083598|0.201236|0.500000| |2.133061|2.527353|0.069797|2.953815|3.147037|3.427219|3.288131|2.924744|2.728695|2.827250|4.528903|3.252992|5.217989|3.388473|2.978705|2.987228|4.693928|4.653440|3.814453|0.094674|5.396108|5.689688|8.774262|17.775102|55.257441|3.227732|3.476053|2.986094|2.472363|2.195597|2.233041|2.588102|3.078266|4.658632|0.058161|0.054651|0.057334|0.075421|0.092461|0.099100|0.075583|0.068295|0.122557|0.203601|0.500000| |1.891496|2.147575|0.057188|2.279468|2.687335|2.953447|3.513999|3.698074|3.195109|2.775385|4.291151|3.657056|5.353509|4.740667|4.382711|5.795458|8.878314|12.588405|7.287832|0.214222|6.409980|6.090590|4.477914|3.958526|31.402204|17.573444|8.825995|6.881194|5.122498|4.019830|3.806196|4.384445|5.951293|6.175396|0.053405|0.050498|0.048596|0.057833|0.063750|0.076225|0.113969|0.086204|0.179295|0.108242|0.091462|0.500000| |1.690958|1.872233|0.049596|1.986603|2.316197|2.574184|3.061193|3.157533|2.703733|2.364251|3.684994|3.378945|5.135448|4.466523|4.738483|7.283715|12.956045|12.575976|5.781359|0.157349|4.624613|4.084039|3.304788|3.143061|26.110107|17.574168|8.858790|6.951232|6.197649|4.495354|3.835185|3.995399|5.054863|6.857963|0.048245|0.045225|0.043754|0.051475|0.054981|0.067800|0.099222|0.073283|0.114597|0.081393|0.075810|0.302284|0.500000| |1.576782|1.750781|0.046815|1.902050|2.162155|2.429556|2.748782|2.650284|2.304445|2.119010|3.336935|3.109534|4.903394|4.000274|4.398862|6.430197|12.296676|9.611666|4.817160|0.115494|4.594724|3.942928|3.518703|3.637808|31.039755|8.920324|17.590734|8.889592|7.087490|4.706450|3.966722|4.213731|5.676398|6.630512|0.044671|0.041748|0.041476|0.049813|0.053778|0.066613|0.078179|0.060901|0.100574|0.085234|0.089858|0.174414|0.213753|0.500000| |1.729740|1.962491|0.052866|2.145197|2.442304|2.724199|3.041860|2.928822|2.574046|2.388890|3.752853|3.296796|5.058262|4.154374|4.075138|5.289016|8.608316|9.496781|5.524658|0.132030|6.250324|5.603935|5.031505|5.086990|40.879591|8.859477|17.579835|8.896698|5.646736|4.203144|3.968317|4.725649|7.154531|5.967600|0.048499|0.045649|0.045385|0.055280|0.061644|0.074106|0.084309|0.067449|0.135512|0.117473|0.119551|0.212560|0.174116|0.302857|0.500000| |1.366887|1.494056|0.040240|1.578932|1.764713|1.920095|2.148913|2.156666|1.937769|1.773209|2.859562|2.341108|3.775539|2.836539|3.085873|4.107330|8.468985|5.826478|3.274270|0.086631|3.059046|2.858452|2.592768|2.562630|20.041342|5.676687|7.014915|8.923353|17.698025|8.921179|5.642427|4.961802|5.663803|4.945898|0.038630|0.036724|0.035977|0.041503|0.044312|0.052046|0.064496|0.052766|0.078058|0.066467|0.065347|0.132180|0.182274|0.212072|0.143273|0.500000| |1.217360|1.322534|0.036022|1.374012|1.506138|1.597539|1.749277|1.782661|1.654613|1.530243|2.523686|1.842147|3.007761|2.129569|2.231932|2.722165|5.286074|3.915142|2.420782|0.066406|2.344076|2.308609|2.161519|2.096293|15.479746|3.583971|4.088029|5.623419|8.925498|17.699521|8.908681|5.653243|4.963521|3.657712|0.034132|0.033030|0.032155|0.036131|0.038672|0.043172|0.052720|0.045785|0.064616|0.057566|0.054646|0.094559|0.109144|0.111679|0.096819|0.215630|0.500000| 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