Version2.0 2020-02-15T12:42:24Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 13-Jan-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H]1c2c(sc(n2)NC(=O)c3ccc(cc3)OC)C[C@]4([C@H]1[C@H]([C@H](CC4)[C@H](C)C(=O)N(C)CC=C)O)C C03840786 RHF 6-31G(d) (6D,7F) C[C@@H]1c2c(sc(n2)NC(=O)c3ccc(cc3)OC)C[C@]4([C@H]1[C@H]([C@H](CC4)[C@H](C)C(=O)N(C)CC=C)O)C C01[X(C28H37N3O4S1)] 213 C1 618 COc1ccc(cc1)C(=O)Nc1nc2c(s1)C[C@]1([C@H]([C@@H]2C)[C@@H](O)[C@H](CC1)[C@@H](C(=O)N(CC=C)C)C)C COc1ccc(cc1)C(=O)Nc1nc2c(s1)C[C@]1([C@H]([C@@H]2C)[C@@H](O)[C@H](CC1)[C@@H](C(=O)N(CC=C)C)C)C COc1ccc(cc1)C(=O)Nc2sc3C[C@]4(C)CC[C@H]([C@H](C)C(=O)N(C)CC=C)[C@H](O)[C@H]4[C@H](C)c3n2 InChIKey=DWOATDYGKULRMB-HEJKFJCXSA-N InChI=1S/C28H37N3O4S/c1-7-14-31(5)26(34)16(2)20-12-13-28(4)15-21-23(17(3)22(28)24(20)32)29-27(36-21)30-25(33)18-8-10-19(35-6)11-9-18/h7-11,16-17,20,22,24,32H,1,12-15H2,2-6H3,(H,29,30,33)/t16-,17-,20+,22+,24-,28-/m0/s1 InChI=1/C28H37N3O4S/c1-7-14-31(5)26(34)16(2)20-12-13-28(4)15-21-23(17(3)22(28)24(20)32)29-27(36-21)30-25(33)18-8-10-19(35-6)11-9-18/h7-11,16-17,20,22,24,32H,1,12-15H2,2-6H3,(H,29,30,33)/t16-,17-,20+,22+,24-,28-/m0/s1/f/h30H C[C@@H]1c2c(sc(n2)NC(=O)c3ccc(cc3)OC)C[C@]4([C@H]1[C@H]([C@H](CC4)[C@H](C)C(=O)N(C)CC=C)O)C C01[X(C28H37N3O4S1)] 213 C01 618 COc1ccc(cc1)C(=O)Nc1nc2c(s1)C[C@]1([C@H]([C@@H]2C)[C@@H](O)[C@H](CC1)[C@@H](C(=O)N(CC=C)C)C)C COc1ccc(cc1)C(=O)Nc1nc2c(s1)C[C@]1([C@H]([C@@H]2C)[C@@H](O)[C@H](CC1)[C@@H](C(=O)N(CC=C)C)C)C COc1ccc(cc1)C(=O)Nc2sc3C[C@]4(C)CC[C@H]([C@H](C)C(=O)N(C)CC=C)[C@H](O)[C@H]4[C@H](C)c3n2 InChIKey=DWOATDYGKULRMB-HEJKFJCXSA-N InChI=1S/C28H37N3O4S/c1-7-14-31(5)26(34)16(2)20-12-13-28(4)15-21-23(17(3)22(28)24(20)32)29-27(36-21)30-25(33)18-8-10-19(35-6)11-9-18/h7-11,16-17,20,22,24,32H,1,12-15H2,2-6H3,(H,29,30,33)/t16-,17-,20+,22+,24-,28-/m0/s1 InChI=1/C28H37N3O4S/c1-7-14-31(5)26(34)16(2)20-12-13-28(4)15-21-23(17(3)22(28)24(20)32)29-27(36-21)30-25(33)18-8-10-19(35-6)11-9-18/h7-11,16-17,20,22,24,32H,1,12-15H2,2-6H3,(H,29,30,33)/t16-,17-,20+,22+,24-,28-/m0/s1/f/h30H 3979.9501369904 -1942.1586748 1-A 36665.1498 137 481 618 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.96647 -20.60498 -20.55781 -20.54095 -20.51339 -15.61377 -15.58641 -15.54897 -11.36815 -11.34162 -11.33792 -11.31934 -11.29411 -11.27627 -11.26536 -11.26388 -11.25966 -11.25104 -11.24782 -11.24749 -11.24346 -11.24003 -11.23923 -11.23635 -11.23581 -11.23101 -11.23040 -11.22724 -11.22593 -11.22569 -11.22304 -11.21907 -11.21706 -11.21289 -11.20735 -11.19037 -8.97609 -6.65844 -6.65745 -6.65568 -1.43573 -1.41297 -1.38461 -1.36920 -1.31000 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2381.59 2382.89 2386.39 2387.21 2387.56 2388.03 2397.88 2401.13 2448.90 2526.63 2543.58 2607.78 2610.26 2698.00 2739.73 2806.18 4581.38 4586.75 4595.03 4601.35 4606.58 4616.07 4616.55 4619.08 4624.02 4624.60 4631.83 4640.46 4648.78 4650.99 4661.26 4698.47 4701.43 4718.13 4722.30 4727.76 4732.71 4747.04 4763.12 4780.72 4781.62 4788.32 4799.87 4812.15 4818.86 4828.96 4850.26 4884.62 4898.91 4908.68 4914.56 5597.59 5900.31 0.665513 0.699512 0.700456 0.596495 -1941.493162 -1941.459163 -1941.458218 -1941.562180 3.486903D-04 MUNgauss RevisionA2.0 retrievium 15-Feb-2020 DUDE C[C@@H]1c2c(sc(n2)NC(=O)c3ccc(cc3)OC)C[C@]4([C@H]1[C@H]([C@H](CC4)[C@H](C)C(=O)N(C)CC=C)O)C C03840786 RHF 6-31G(d) (6D,10F) C1 511.250479 |X|Y|Z| 39.247811 44.763614 181.991770 68.380265 21 6 7 16 18 2 1 |36.858105| |12.369641|36.858105| |8.893885|17.509697|0.500000| |7.718291|12.611198|0.250024|36.858105| |5.347730|7.555083|0.165801|14.264105|36.858105| |3.950665|4.746020|0.116321|7.510032|10.920502|388.023441| |4.638713|5.291047|0.134235|8.698030|7.894621|77.944299|36.858105| |6.452087|7.599581|0.189874|13.751215|8.277070|52.839729|14.945726|53.358707| |3.745310|3.970481|0.105502|5.444858|5.033176|48.943048|13.772326|11.281442|53.358707| |2.983344|3.153320|0.084122|4.099963|4.109421|42.306181|7.752215|7.228578|18.958069|36.858105| |2.774599|2.997792|0.079101|3.913213|4.215878|47.573410|6.755630|6.349981|11.570279|15.884911|73.516695| |2.574977|2.638617|0.071687|3.216771|3.141533|28.886614|5.068104|5.500540|10.673204|12.774259|14.351215|36.858105| |2.184469|2.258136|0.061695|2.690857|2.696424|24.465647|3.890300|4.360455|7.081940|7.712993|12.044465|13.632918|36.858105| |1.948432|1.985507|0.054627|2.296216|2.275418|19.679597|3.109225|3.657148|5.383555|5.084083|8.110002|7.905942|13.879909|36.858105| |1.961022|1.959219|0.054096|2.228676|2.160400|18.109856|2.951630|3.579035|5.108210|4.450300|6.785539|6.825663|7.939931|13.645155|36.858105| |2.224894|2.187933|0.060322|2.495487|2.365168|19.659773|3.369067|4.122833|6.049448|5.000753|7.116662|7.881967|6.871911|7.915565|13.732144|36.858105| |2.600386|2.574578|0.070399|3.035394|2.856550|24.511101|4.457610|5.237605|8.910084|7.498344|9.409424|13.757017|7.970273|6.897389|7.947719|13.729551|36.858105| |1.740094|1.731200|0.047975|1.931815|1.875784|15.363277|2.446972|3.035370|4.048654|3.391844|5.389913|4.613863|5.313589|8.215989|14.208698|7.890044|5.212528|73.516695| |1.693871|1.661906|0.046178|1.824437|1.751246|14.009734|2.247942|2.854943|3.652127|2.925306|4.628639|3.783943|3.990935|5.257183|8.015031|6.728875|4.517712|24.159836|36.858105| |4.542795|6.261495|0.141464|7.596032|12.720566|47.009115|4.885411|6.955253|4.931101|3.169461|5.917561|2.549431|2.269910|1.958125|1.858855|1.999775|2.340298|2.922493|1.542935|36.858105| |4.845719|7.278457|0.172291|6.699601|7.661839|32.877803|4.019907|6.178607|4.243568|2.705184|4.900252|2.255330|2.019042|1.774308|1.705908|1.838047|2.118275|2.710441|1.446033|12.343729|36.858105| |7.392476|12.233676|0.243470|7.537095|6.688321|29.553888|4.048011|6.774031|4.303445|2.663446|4.666627|2.254786|1.985734|1.760300|1.722385|1.885838|2.174673|2.738754|1.477674|7.556382|12.173543|36.858105| |7.334010|8.936742|0.176014|6.525876|6.162913|28.452260|3.823317|6.198653|4.121312|2.581537|4.546219|2.194695|1.934531|1.719799|1.686695|1.847972|2.125333|2.687313|1.453286|7.153826|8.908121|17.504940|0.500000| |5.735072|7.348407|0.197138|4.911861|4.403524|22.386146|3.144908|5.126207|3.540770|2.238960|3.903390|1.954081|1.745999|1.573832|1.550979|1.688433|1.908941|2.497030|1.358526|4.914892|7.532433|12.360532|0.247161|36.858105| |4.890335|6.557886|0.201931|4.670317|4.201318|21.894164|3.091948|5.004449|3.508527|2.225845|3.879995|1.947854|1.749499|1.577909|1.550561|1.680510|1.895177|2.498849|1.356744|4.605029|7.122571|8.926573|0.175472|17.529984|0.500000| |4.139619|4.805601|0.126111|3.742231|3.635057|19.418892|2.622829|4.066675|3.019260|1.963949|3.477667|1.730171|1.570119|1.424640|1.398926|1.506271|1.683340|2.270262|1.235433|4.341552|6.268015|7.404917|0.193603|12.342712|0.249813|36.858105| |3.601853|4.035998|0.111183|3.200809|3.071919|17.069719|2.343091|3.612262|2.751217|1.801628|3.177233|1.607695|1.467432|1.341767|1.322240|1.419955|1.573107|2.158406|1.179267|3.529592|4.798170|5.474717|0.141681|8.928919|0.221579|17.546026|0.500000| |3.495470|4.268550|0.112576|3.636512|3.778671|20.292671|2.618137|3.933941|3.000668|1.981193|3.571558|1.730913|1.586489|1.432082|1.390319|1.482164|1.657578|2.254392|1.217072|4.890202|7.386066|6.401429|0.162327|7.677438|0.201926|12.363265|0.247602|36.858105| |3.762451|4.821273|0.119983|4.405708|4.981842|25.285865|3.079757|4.551899|3.427542|2.260487|4.137492|1.931088|1.762267|1.569788|1.510152|1.609837|1.822274|2.427898|1.300104|7.618437|12.348965|7.514600|0.194711|6.559375|0.168082|7.458732|0.152856|12.438855|36.858105| |3.940478|4.155395|0.104114|3.370300|3.319725|18.230983|2.450477|3.743795|2.852251|1.871162|3.320013|1.658034|1.506111|1.372023|1.351789|1.456494|1.621493|2.200016|1.201191|3.927156|4.948153|5.906699|0.188074|7.232246|0.150560|12.277516|0.248745|7.446825|5.954496|36.858105| |4.187353|4.428687|0.105938|3.696624|3.743605|20.193588|2.655557|4.027312|3.052183|2.001581|3.574421|1.755621|1.589419|1.439067|1.412686|1.523610|1.707233|2.288957|1.245067|4.573811|5.508457|6.464554|0.234110|6.541513|0.136991|8.824304|0.175278|6.876134|6.669138|17.644513|0.500000| |4.068565|3.890118|0.098732|3.106990|2.939238|16.624173|2.317795|3.578199|2.745830|1.794226|3.140349|1.611598|1.458053|1.338749|1.333081|1.445614|1.600370|2.177530|1.199017|3.245008|3.859135|4.896888|0.155926|5.964826|0.127579|7.281752|0.186827|4.804853|4.141110|12.360158|0.247460|36.858105| |2.992962|3.147890|0.081328|2.701637|2.726556|15.673964|2.082175|3.099596|2.471449|1.652445|2.955184|1.479361|1.361351|1.248527|1.227298|1.310090|1.443514|2.011849|1.098938|3.225848|3.871629|4.130122|0.124985|4.847058|0.114662|7.619516|0.200327|6.383325|4.930115|12.442539|0.245840|7.766184|36.858105| |2.697470|2.847816|0.075843|2.446128|2.444206|14.281039|1.917491|2.851664|2.299565|1.542797|2.751780|1.391904|1.286949|1.186119|1.167578|1.242740|1.361330|1.921887|1.051943|2.834696|3.425837|3.611180|0.103959|4.430732|0.110690|6.756275|0.213345|5.809251|4.241807|8.024072|0.164015|6.261883|15.786548|73.516695| |2.683300|2.788357|0.071216|2.489693|2.570624|15.127006|1.977772|2.889948|2.362779|1.598157|2.880868|1.432730|1.325408|1.216724|1.192849|1.267923|1.393496|1.958818|1.068453|3.054933|3.446707|3.538284|0.109824|3.806214|0.092091|5.224504|0.133744|4.987730|4.388819|7.651295|0.204914|5.752750|14.023167|15.138496|53.358707| |2.797708|2.856571|0.071127|2.609509|2.734405|16.171664|2.089530|3.027353|2.488867|1.687175|3.053935|1.505525|1.388880|1.270850|1.244577|1.325139|1.461764|2.037939|1.109822|3.253958|3.471441|3.572374|0.116441|3.565585|0.085180|4.477780|0.109370|4.312545|4.270350|6.486972|0.212947|5.257304|7.640458|9.445238|17.853923|36.858105| |2.229744|2.315277|0.060285|2.108990|2.183371|13.233054|1.731636|2.499833|2.098742|1.435981|2.596074|1.299052|1.212865|1.120109|1.097245|1.158670|1.263215|1.812389|0.989465|2.551330|2.822681|2.824389|0.084777|3.038517|0.076680|3.962221|0.107689|3.980217|3.515106|4.971074|0.131352|4.178762|7.867625|12.579952|17.759939|7.690586|36.858105| |2.054958|2.078442|0.054410|1.893646|1.932633|11.902074|1.581967|2.283733|1.939917|1.330431|2.392007|1.215212|1.135984|1.055897|1.039891|1.098650|1.190456|1.725404|0.946695|2.192362|2.388053|2.453988|0.073730|2.641990|0.066859|3.282540|0.091339|3.143499|2.822467|4.098990|0.107615|3.868076|5.765435|9.871815|10.521430|5.961181|12.655928|36.858105| |1.850467|1.859848|0.048692|1.722953|1.766670|11.078018|1.469927|2.102054|1.817362|1.256121|2.264041|1.152932|1.082764|1.009763|0.994283|1.046956|1.129618|1.654892|0.908529|1.984043|2.110197|2.150608|0.064576|2.262827|0.057793|2.706573|0.074649|2.635756|2.448167|3.273994|0.088931|3.149669|4.192598|7.140087|7.354577|4.912406|7.613949|14.446239|36.858105| |6.469986|6.700078|0.187973|4.392834|3.738805|20.058371|2.959720|4.906368|3.420743|2.149881|3.682366|1.909838|1.697276|1.544538|1.542092|1.693450|1.902962|2.492136|1.369347|3.855764|5.047470|7.867810|0.191601|13.540134|0.262498|7.759295|0.197944|5.073572|4.478042|6.169250|0.151176|6.514886|4.291326|7.149102|4.655243|3.235618|2.780561|2.522635|2.174851|73.516695| |4.083442|6.048762|0.170935|5.851540|6.289877|30.950956|3.911427|5.928977|4.224573|2.710234|4.897657|2.272879|2.053395|1.804893|1.726154|1.846733|2.119947|2.745085|1.458962|7.611804|12.337922|7.342602|0.151588|6.118211|0.198271|5.021738|0.118795|6.040118|7.567244|3.828700|0.110098|3.155260|3.204665|5.336030|3.874273|2.780769|2.442481|2.097736|1.869634|7.833286|36.858105| |17.519821|8.780964|0.173645|6.989922|5.391085|28.703160|4.520127|7.933840|4.978005|2.970914|4.978550|2.552829|2.170972|1.933507|1.940554|2.195580|2.565925|3.061821|1.673943|4.678506|4.673214|6.749580|0.218672|5.057058|0.117092|3.970691|0.094519|3.400938|3.762264|4.038125|0.124923|4.180987|3.066408|4.800292|3.835475|3.039758|2.317458|2.140020|1.937242|9.633019|3.744346|0.500000| |17.674261|8.741129|0.212576|5.565764|4.245810|23.148888|3.700622|6.561753|4.252582|2.568113|4.272363|2.272351|1.960146|1.773793|1.794829|2.021832|2.313663|2.866030|1.582109|3.878368|4.366318|6.705359|0.185059|6.211047|0.143187|4.435714|0.109940|3.532807|3.591349|4.246298|0.119858|4.679422|3.176833|5.141343|3.788312|2.842897|2.306359|2.146115|1.916034|14.944569|3.754453|0.300793|0.500000| |17.592082|8.809561|0.214103|7.153664|4.883761|27.969762|5.055193|9.988345|5.751860|3.260252|5.221899|2.843134|2.363797|2.109454|2.149228|2.485719|2.937444|3.366330|1.851257|3.943396|4.031016|5.429017|0.146072|4.473741|0.113113|3.389017|0.084521|2.963472|3.181588|3.222481|0.094043|3.344841|2.559599|4.172664|3.170292|2.425469|1.979296|1.843294|1.678805|8.913911|3.619561|0.302103|0.300849|0.500000| |3.835859|3.924173|0.107124|5.053633|4.378306|37.427892|9.559550|10.765346|26.065410|9.260047|10.845992|7.386898|4.874637|3.912532|3.908514|4.879800|7.345597|5.505545|2.849313|3.257986|2.923192|3.055525|0.080876|2.569367|0.070941|2.171291|0.055449|2.124214|2.376293|2.047826|0.060237|2.000742|1.771358|2.946582|2.290342|1.761092|1.496658|1.391979|1.302680|4.513704|2.931789|0.101543|0.089688|0.125490|0.500000| |2.115636|2.224058|0.060587|2.668314|2.746274|25.526316|3.815820|4.219094|6.576170|7.241987|13.529160|8.932464|17.754111|8.959077|5.644639|4.954424|5.672185|7.621193|3.332468|2.335374|2.055666|1.984760|0.053645|1.740382|0.048566|1.575494|0.040823|1.610063|1.801442|1.508053|0.044310|1.446565|1.369054|2.299915|1.819964|1.401521|1.226248|1.143691|1.090958|2.973562|2.100887|0.058579|0.052756|0.062649|0.120264|0.500000| |1.767345|1.808924|0.049849|2.070954|2.073090|17.742534|2.712496|3.226866|4.502684|4.134905|6.991378|5.619554|8.912014|17.743868|8.947054|5.653436|4.966970|13.512245|4.874947|1.815191|1.651131|1.626196|0.044162|1.464583|0.040877|1.336975|0.035089|1.350616|1.476049|1.288566|0.037470|1.254595|1.181062|2.000203|1.571125|1.203409|1.068387|1.008050|0.966625|2.547872|1.685188|0.048779|0.045026|0.052613|0.090080|0.214031|0.500000| |2.185303|2.111770|0.058409|2.358433|2.207658|17.810916|3.051738|3.863149|5.264913|4.083269|5.955891|5.640384|4.955953|5.622579|8.862544|17.770667|8.956228|12.492575|7.445752|1.883045|1.751756|1.819481|0.049666|1.644603|0.045363|1.467606|0.038592|1.432080|1.541841|1.424302|0.041224|1.426645|1.281586|2.165524|1.685842|1.292472|1.132800|1.079440|1.029173|2.965293|1.753107|0.059795|0.055689|0.068249|0.120742|0.107628|0.124043|0.500000| |2.947376|2.847088|0.077547|3.345307|3.049266|25.398157|4.893144|5.963362|9.761330|6.826401|8.593282|8.877429|5.642328|4.965727|5.675277|9.013515|17.719256|7.491639|3.930995|2.463011|2.242116|2.351289|0.063978|2.053847|0.056276|1.791342|0.046393|1.742908|1.911963|1.728986|0.050595|1.720238|1.524744|2.549197|1.994879|1.539600|1.320343|1.245825|1.178498|3.680868|2.220325|0.080551|0.072187|0.094955|0.251863|0.124164|0.107785|0.219618|0.500000| |1.751791|1.716436|0.048076|1.873369|1.778198|14.078959|2.294865|2.950085|3.731225|2.916808|4.549663|3.735710|3.796540|4.760511|7.038655|6.735295|4.583827|16.436404|17.567556|1.561542|1.475074|1.515371|0.041190|1.398837|0.038933|1.265108|0.033621|1.241765|1.320885|1.224495|0.035131|1.225328|1.117274|1.905587|1.471599|1.118719|0.999945|0.956635|0.915579|2.518114|1.496180|0.047670|0.045564|0.053540|0.082526|0.088173|0.119936|0.223468|0.113578|0.500000| |1.545853|1.520719|0.042303|1.657281|1.599886|12.708783|2.003900|2.557679|3.190558|2.547536|4.120107|3.180912|3.420336|4.422405|5.890385|4.907435|3.621832|17.001344|17.654287|1.424999|1.340668|1.365253|0.037325|1.263020|0.035082|1.155794|0.030741|1.140984|1.214405|1.125045|0.032324|1.122779|1.034993|1.765831|1.372193|1.045290|0.937660|0.898888|0.864623|2.261250|1.354691|0.042473|0.040352|0.046562|0.068407|0.082248|0.121629|0.145685|0.089371|0.299958|0.500000| |1.732444|1.680658|0.046376|1.842352|1.765468|14.085064|2.263806|2.882823|3.668382|2.914613|4.601720|3.729443|3.796146|4.760310|7.030863|6.724487|4.574934|16.436205|17.568240|1.554405|1.452658|1.493365|0.041057|1.369537|0.037769|1.246473|0.032993|1.222912|1.307491|1.219463|0.035195|1.222297|1.114054|1.890582|1.477421|1.132058|1.003637|0.962453|0.924795|2.463141|1.451707|0.047888|0.044914|0.052707|0.079534|0.088235|0.120022|0.223963|0.113650|0.298724|0.299983|0.500000| |4.393903|5.449074|0.120930|6.191109|8.923175|40.535115|4.320805|6.081221|4.522739|2.956135|5.530746|2.413003|2.156435|1.874431|1.787495|1.922790|2.234895|2.823270|1.496507|17.509299|8.777840|6.754724|0.210106|4.569923|0.113510|4.276276|0.095758|4.692951|7.200963|4.177799|0.143117|3.432967|3.430227|5.205975|4.559981|3.736918|2.748892|2.354043|2.136868|6.575901|5.525784|0.134010|0.105372|0.104682|0.083442|0.061437|0.048375|0.050540|0.065488|0.041869|0.038464|0.042150|0.500000| |3.637105|4.756674|0.115902|5.733343|8.901954|45.253710|4.409846|5.906035|4.630168|3.093799|5.956218|2.492341|2.264230|1.948683|1.826444|1.936684|2.250408|2.878891|1.509300|17.534658|8.798156|5.488374|0.143619|4.069803|0.110593|3.775188|0.088063|4.483512|6.847537|3.410080|0.107568|2.824654|2.946506|4.685333|3.863307|2.994048|2.436494|2.086092|1.904300|5.784451|7.173388|0.102914|0.088747|0.090987|0.084108|0.065779|0.050603|0.050326|0.064640|0.042280|0.038875|0.042030|0.303881|0.500000| |3.258700|4.044655|0.112323|3.479722|3.569605|19.585615|2.555905|3.835233|2.952447|1.953121|3.513954|1.713342|1.576923|1.425822|1.382471|1.469235|1.638532|2.244989|1.211054|4.432592|6.622954|5.601575|0.133667|6.946016|0.218018|8.863506|0.223197|17.548185|8.835755|5.489403|0.139255|4.017562|4.955881|8.763460|5.437325|3.480009|3.402302|2.772509|2.361396|8.449538|6.617248|0.085790|0.091592|0.078506|0.058305|0.044512|0.037426|0.039402|0.047670|0.034423|0.031575|0.033648|0.112721|0.116931|0.500000| |2.982759|3.474030|0.091703|3.061958|3.218925|18.057052|2.316226|3.415573|2.700823|1.809224|3.278838|1.594853|1.474427|1.338465|1.298844|1.376964|1.528216|2.117408|1.144449|4.098819|5.435430|4.813208|0.130350|5.535895|0.145711|8.766993|0.210072|17.577810|8.839745|6.997197|0.177235|4.540959|7.461339|12.341359|8.077156|4.756991|4.834594|3.599304|2.961818|7.367893|4.640174|0.082162|0.084154|0.071522|0.053087|0.041655|0.035238|0.037009|0.044420|0.032345|0.029915|0.031965|0.113688|0.108315|0.306619|0.500000| |3.722183|4.485798|0.107715|4.174382|4.781633|24.799223|2.990706|4.371050|3.347448|2.221573|4.080488|1.901305|1.734509|1.547332|1.490970|1.590708|1.798764|2.399249|1.286581|7.274107|8.840366|6.742774|0.206199|5.668861|0.136292|6.688283|0.137777|8.857105|17.522854|6.513312|0.231988|4.419824|5.390510|7.703937|6.958860|5.334566|3.909229|3.092275|2.683735|7.440625|5.528527|0.108202|0.098409|0.086929|0.064256|0.049193|0.040416|0.042388|0.052518|0.036165|0.033391|0.036118|0.230289|0.176687|0.173843|0.215743|0.500000| |3.182923|4.002342|0.102740|3.891273|4.557610|24.643508|2.915276|4.172616|3.287479|2.209938|4.105754|1.889089|1.744777|1.553041|1.481993|1.564964|1.764604|2.387060|1.272041|6.876948|8.826249|5.476569|0.142142|4.916076|0.135010|5.463905|0.124057|8.847691|17.517995|4.579054|0.138569|3.389751|4.161180|6.624226|5.282514|3.776491|3.288304|2.639198|2.327127|6.437341|7.147184|0.088349|0.083955|0.077292|0.062820|0.050012|0.040800|0.041440|0.050878|0.035807|0.033100|0.035412|0.175743|0.202782|0.215508|0.213552|0.304950|0.500000| |3.539340|3.323136|0.084038|2.774236|2.669326|15.498293|2.146374|3.256638|2.571762|1.698375|2.982982|1.534457|1.394544|1.285375|1.281033|1.385443|1.525907|2.099844|1.158191|2.936608|3.332989|4.018811|0.130045|4.512864|0.101749|5.384770|0.140503|4.031266|3.620073|8.773255|0.210940|17.530143|7.285907|10.239928|8.443381|5.957572|4.507683|4.398433|3.573681|8.542828|2.748846|0.104272|0.109931|0.083025|0.051938|0.038442|0.033541|0.038044|0.045445|0.032765|0.030192|0.032894|0.088107|0.072046|0.094614|0.110671|0.110667|0.084836|0.500000| |3.640997|3.513936|0.092939|2.813183|2.639691|15.188028|2.140577|3.301315|2.565771|1.682062|2.934213|1.524074|1.384789|1.278454|1.276284|1.381121|1.519038|2.093962|1.156588|2.874346|3.448096|4.260119|0.126391|5.536358|0.125472|6.728683|0.201888|4.470292|3.681513|8.769713|0.173989|17.572082|6.969280|11.778917|6.833546|4.320565|3.941105|3.747258|3.036547|11.376949|2.963168|0.100132|0.118361|0.085474|0.052301|0.038117|0.033357|0.037978|0.045255|0.032928|0.030157|0.032670|0.082368|0.070802|0.108875|0.118793|0.104736|0.085903|0.302565|0.500000| |5.089895|4.544974|0.112915|3.493783|3.196984|17.873949|2.547968|4.015769|3.001634|1.934572|3.353513|1.733516|1.552673|1.422339|1.422727|1.555980|1.732540|2.314325|1.276621|3.412576|4.007691|5.494190|0.179718|6.401019|0.132663|6.466389|0.159937|4.383674|4.005552|8.724759|0.215039|17.663100|5.576013|8.361912|6.151705|4.456704|3.437914|3.215801|2.724736|14.030553|3.250722|0.146093|0.171513|0.112235|0.061139|0.042550|0.036823|0.042754|0.052224|0.036317|0.033071|0.036239|0.099878|0.080761|0.104308|0.110369|0.117641|0.090753|0.301344|0.301325|0.500000| |2.852551|2.990493|0.073671|2.797839|3.021443|17.765502|2.235770|3.205938|2.637734|1.793622|3.278050|1.585045|1.463315|1.330581|1.294786|1.375454|1.525016|2.112146|1.143991|3.730226|3.871549|3.792165|0.124162|3.612583|0.087004|4.444473|0.105253|4.602341|4.933471|5.911537|0.209573|4.542172|6.342967|8.237987|12.250285|17.536802|6.198603|4.693031|4.074920|5.626350|3.026591|0.086516|0.078587|0.068706|0.051332|0.041240|0.035001|0.037057|0.044467|0.031967|0.029895|0.032375|0.122815|0.096113|0.101840|0.140350|0.184152|0.122648|0.133360|0.104861|0.112380|0.500000| |2.454900|2.475901|0.062317|2.300849|2.410365|14.670445|1.900889|2.724678|2.294949|1.570999|2.848437|1.413313|1.311654|1.206334|1.182262|1.254006|1.374534|1.944462|1.060582|2.805017|2.920745|2.980573|0.095076|2.970663|0.072638|3.594765|0.091016|3.507499|3.485920|4.822487|0.149202|4.272162|5.748871|7.940319|12.562081|17.624420|7.639413|6.673863|5.980377|4.906311|2.414401|0.074012|0.069204|0.060231|0.045158|0.036778|0.031838|0.034030|0.040073|0.029626|0.027827|0.030088|0.088662|0.073005|0.081796|0.107582|0.116426|0.088774|0.137802|0.102029|0.103150|0.301280|0.500000| |3.129427|3.093079|0.075909|2.780737|2.858531|16.755494|2.199888|3.223370|2.614432|1.756753|3.154450|1.567695|1.435288|1.313041|1.292400|1.385209|1.532149|2.112130|1.153626|3.321322|3.528086|3.835584|0.130071|3.787046|0.088113|4.579327|0.110500|4.109082|4.107682|7.056507|0.244850|6.323513|6.984507|8.739653|12.285230|17.634312|5.752656|5.058440|4.269094|6.307962|2.787992|0.096477|0.089091|0.074447|0.051612|0.040008|0.034392|0.037647|0.045148|0.032339|0.030104|0.032792|0.106782|0.082695|0.092747|0.118903|0.141025|0.098217|0.213797|0.134855|0.151108|0.300309|0.304512|0.500000| |2.110397|2.205453|0.057215|2.051204|2.157524|13.234275|1.708562|2.438472|2.074054|1.429699|2.603002|1.291603|1.211062|1.117315|1.090157|1.146701|1.249729|1.800959|0.980404|2.540013|2.739499|2.667949|0.080112|2.780239|0.070856|3.509981|0.093404|3.693398|3.428669|4.233299|0.118103|3.545769|5.905651|9.347285|12.496261|7.328561|17.561901|8.911436|7.243998|4.478217|2.374172|0.061291|0.059749|0.052389|0.040858|0.034147|0.029672|0.031054|0.036134|0.027443|0.025834|0.027619|0.076679|0.068410|0.088434|0.124159|0.107450|0.091693|0.105250|0.091725|0.084209|0.181874|0.221154|0.146559|0.500000| |2.165089|2.278580|0.060177|2.065909|2.131215|12.907992|1.694232|2.450508|2.055527|1.406101|2.540040|1.273684|1.191646|1.101490|1.078242|1.136675|1.237557|1.782848|0.973084|2.489786|2.812513|2.782992|0.081367|3.073951|0.079180|4.082128|0.115304|4.202242|3.532843|4.770503|0.120647|3.954677|7.665199|14.751211|12.575430|5.701225|17.662747|8.944713|5.983867|4.956000|2.491762|0.061528|0.062436|0.053561|0.040797|0.033496|0.029221|0.030859|0.035868|0.027370|0.025639|0.027337|0.072960|0.066575|0.102099|0.147348|0.104828|0.092979|0.113098|0.107880|0.090620|0.138944|0.149941|0.127935|0.302108|0.500000| |2.101418|2.103867|0.055430|1.890339|1.901973|11.671044|1.571404|2.286570|1.930536|1.317775|2.354757|1.207455|1.125819|1.048624|1.036790|1.098487|1.188866|1.721732|0.947648|2.131741|2.350776|2.469601|0.073818|2.720465|0.068684|3.376531|0.096454|3.105549|2.729320|4.233615|0.106819|4.232294|5.900568|10.730435|9.300524|5.203190|8.685570|17.674906|9.156782|4.724042|2.078148|0.060362|0.061839|0.052327|0.038696|0.031373|0.027769|0.030074|0.034667|0.026666|0.024986|0.026766|0.063001|0.055893|0.076759|0.096869|0.081718|0.070026|0.135608|0.118246|0.095841|0.114390|0.151109|0.132593|0.172194|0.208203|0.500000| |1.745490|1.735708|0.045642|1.608610|1.637090|10.347349|1.385205|1.980901|1.724143|1.193315|2.143655|1.101676|1.035690|0.969748|0.957909|1.008648|1.083982|1.599056|0.880574|1.812497|1.919854|1.975660|0.059103|2.081224|0.053362|2.439012|0.067860|2.343032|2.182066|2.911245|0.078705|2.904511|3.579119|6.213187|5.877348|4.035823|5.466929|9.094049|17.713709|3.616560|1.716209|0.050678|0.050405|0.044293|0.034457|0.028917|0.025805|0.027623|0.031424|0.024654|0.023311|0.024924|0.053951|0.048267|0.059043|0.071784|0.065770|0.057597|0.091992|0.078898|0.070748|0.094650|0.132530|0.102800|0.142903|0.129368|0.218124|0.500000| |1.783847|1.805829|0.047151|1.695089|1.757307|11.104306|1.458900|2.069752|1.804877|1.254329|2.273122|1.149759|1.083386|1.009375|0.990532|1.039700|1.121790|1.648583|0.902729|1.984182|2.081175|2.084603|0.062579|2.155786|0.055341|2.555490|0.069552|2.555949|2.426426|3.038710|0.084575|2.851543|3.797356|6.363096|6.762014|4.790277|6.898335|9.082176|17.681259|3.639416|1.844529|0.052052|0.050758|0.045102|0.035781|0.030419|0.026890|0.028318|0.032401|0.025212|0.023882|0.025517|0.059651|0.053399|0.063689|0.080043|0.074386|0.064995|0.088273|0.075424|0.069735|0.115612|0.167871|0.112453|0.216967|0.151825|0.173425|0.289233|0.500000| |4.978317|5.118326|0.149904|3.654045|3.195579|17.761568|2.609458|4.227046|3.078238|1.961191|3.365463|1.763106|1.581141|1.449597|1.449592|1.583368|1.761052|2.358283|1.299916|3.322934|4.283146|5.869378|0.146354|9.852234|0.235103|7.329421|0.219331|4.812054|4.012264|5.756296|0.133576|6.289138|4.285811|7.518624|4.557824|3.067620|2.779472|2.546352|2.181694|35.742301|3.936951|0.119594|0.173690|0.114869|0.063693|0.043310|0.037536|0.043459|0.052906|0.037397|0.033676|0.036462|0.088701|0.080335|0.129588|0.112596|0.103576|0.092673|0.129624|0.193468|0.193234|0.082089|0.073535|0.092014|0.069147|0.078673|0.075606|0.056944|0.056587|0.500000| |4.383912|6.766438|0.206099|7.012936|6.947830|34.658957|4.627414|7.199935|4.894174|3.058843|5.439764|2.534855|2.260753|1.970645|1.884741|2.030303|2.357541|2.972832|1.575521|6.826357|8.680433|6.702565|0.139129|5.436744|0.175575|4.226950|0.102966|4.627112|5.475931|3.360052|0.096553|2.907978|2.809038|4.703479|3.426311|2.490252|2.179200|1.910221|1.718214|7.569667|17.608375|0.108160|0.108989|0.111587|0.094662|0.063954|0.050726|0.053324|0.068842|0.045099|0.040424|0.043410|0.138358|0.175189|0.138064|0.103380|0.122972|0.143468|0.070820|0.076319|0.085200|0.074412|0.060839|0.070388|0.058817|0.061371|0.052871|0.044211|0.047019|0.104952|0.500000| 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