Version2.4 2021-06-07T12:47:19Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 22-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOc1ccc2c(c1)sc(n2)N3[C@@H](C(=C(C3=O)[O-])C(=O)c4cccc(c4)OC)c5cccc(c5)O C35300062 RHF 6-31G(d) (6D,7F) CCOc1ccc2c(c1)sc(n2)N3[C@@H](C(=C(C3=O)[O-])C(=O)c4cccc(c4)OC)c5cccc(c5)O C01[X(C27H21N2O6S1)] 165 C1 586 CCOc1ccc2c(c1)sc(n2)N1[C@H](c2cccc(c2)O)C(=C(C1=O)[O-])C(=O)c1cccc(c1)OC CCOc1ccc2c(c1)sc(n2)N1[C@H](c2cccc(c2)O)C(=C(C1=O)[O-])C(=O)c1cccc(c1)OC CCOc1ccc2nc(sc2c1)N3[C@H](c4cccc(O)c4)C(=C([O-])C3=O)C(=O)c5cccc(OC)c5 InChIKey=KFQSEFVCDPTBPJ-HSZRJFAPSA-M InChI=1S/C27H22N2O6S/c1-3-35-19-10-11-20-21(14-19)36-27(28-20)29-23(15-6-4-8-17(30)12-15)22(25(32)26(29)33)24(31)16-7-5-9-18(13-16)34-2/h4-14,23,30,32H,3H2,1-2H3/p-1/t23-/m1/s1 InChI=1/C27H22N2O6S/c1-3-35-19-10-11-20-21(14-19)36-27(28-20)29-23(15-6-4-8-17(30)12-15)22(25(32)26(29)33)24(31)16-7-5-9-18(13-16)34-2/h4-14,23,30,32H,3H2,1-2H3/p-1/t23-/m1/s1/fC27H21N2O6S/h32h/q-1 CCOc1ccc2c(c1)sc(n2)N3[C@@H](C(=C(C3=O)[O-])C(=O)c4cccc(c4)OC)c5cccc(c5)O C01[X(C27H21N2O6S1)] 165 C01 586 CCOc1ccc2c(c1)sc(n2)N1[C@H](c2cccc(c2)O)C(=C(C1=O)[O-])C(=O)c1cccc(c1)OC CCO[C]1[CH][CH][C]2[C]([CH]1)SC(=N2)N1[C@H]([C]2[CH][CH][CH][C]([CH]2)O)[C]([C](=O)C1=O)[C](=O)[C]1[CH][CH][CH][C]([CH]1)OC CCO[C]1[CH][CH][C]2N=C(S[C]2[CH]1)N3[C@H]([C]4[CH][CH][CH][C](O)[CH]4)[C](C(=O)[C]5[CH][CH][CH][C]([CH]5)OC)C(=O)C3=O InChIKey=NBHFFJUULMSTJW-HSZRJFAPSA-N InChI=1S/C27H21N2O6S/c1-3-35-19-10-11-20-21(14-19)36-27(28-20)29-23(15-6-4-8-17(30)12-15)22(25(32)26(29)33)24(31)16-7-5-9-18(13-16)34-2/h4-14,23,30H,3H2,1-2H3/t23-/m1/s1 InChI=1/C27H21N2O6S/c1-3-35-19-10-11-20-21(14-19)36-27(28-20)29-23(15-6-4-8-17(30)12-15)22(25(32)26(29)33)24(31)16-7-5-9-18(13-16)34-2/h4-14,23,30H,3H2,1-2H3/t23-/m1/s1 3897.4156950814 -1990.2882462 1-A 22293.0415 131 455 586 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3.1606 1.8435 3.3471 2.9555 1.3398 6.0227 4.8651 1.3966 1.2996 4.1651 2.2738 1.6514 3.4314 2.5035 2.8940 2.5860 3.1784 2.1181 2.9797 2.3875 2.4417 1.7891 1.2700 2.9103 1.3335 1.5289 1.3678 2.4734 2.7431 2.9555 2.0132 1.7841 3.5039 2.6999 5.6643 1.0991 2.8211 3.0566 1.5186 1.6795 1.7893 1.5780 1.2388 7.1618 2.0973 1.9841 2.9958 1.0420 2.5542 1.3693 2.5666 1.1345 1.0490 2.1303 1.0548 2.3759 1.1214 11.5290 6.1845 5.2119 5.6131 7.3211 5.8076 6.5811 8.8247 12.8485 13.0357 1.0549 1.0350 1.0388 1.1089 1.1066 1.1013 1.0856 1.1050 1.1005 1.0886 1.0906 1.0892 1.0898 1.0933 1.0932 1.0928 1.0956 1.0937 1.0941 1.0924 1.0665 0.0007 0.0011 0.0014 0.0017 0.0038 0.0045 0.0079 0.0108 0.0102 0.0288 0.0253 0.0240 0.0419 0.0244 0.0550 0.0998 0.1368 0.1418 0.1588 0.1775 0.1873 0.0625 0.2243 0.0967 0.2267 0.0587 0.2459 0.2072 0.0762 0.1031 0.5527 0.4772 0.6476 0.7191 0.5446 0.6397 0.9878 0.5646 0.7116 0.4564 0.7026 0.8170 0.6048 0.8543 1.7665 1.3332 1.7184 1.1293 1.6587 1.5097 1.0215 1.6779 1.8081 2.3660 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MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE CCOc1ccc2c(c1)sc(n2)N3[C@@H](C(=C(C3=O)[O-])C(=O)c4cccc(c4)OC)c5cccc(c5)O C35300062 RHF 6-31G(d) (6D,10F) C1 501.112033 |X|Y|Z| 127.753348 65.557051 40.917020
69.978597 27 6 7 16 24 2 1
|36.858105| |12.565043|36.858105| |8.096674|13.614536|73.516695| |5.221164|7.970877|24.918608|36.858105| |4.399110|6.701877|13.928045|13.671129|36.858105| |3.337723|4.506455|9.203098|7.901609|13.746777|36.858105| |2.974756|3.786311|8.184453|6.850723|7.943567|13.766050|36.858105| |3.205792|3.995707|9.434473|8.004972|6.923761|7.957763|13.653332|36.858105| |4.091594|5.257314|14.578349|13.736588|7.898387|6.818679|7.851213|13.792937|36.858105| |2.547484|2.966321|6.575231|4.686257|4.248524|4.889882|7.403508|10.892309|6.736978|388.023441| |2.285263|2.695469|5.651428|4.052310|4.159664|5.416244|8.683639|7.788160|4.981386|76.296381|36.858105| |2.446315|2.973172|6.142205|4.579852|5.145338|7.741247|13.770999|8.107225|5.231549|52.091861|14.953809|53.358707| |1.964126|2.259672|4.605573|3.140593|3.229684|4.009720|5.442438|5.029213|3.695047|49.358936|13.958469|11.198413|53.358707| |1.796571|2.061577|4.079803|2.736919|2.920137|3.648346|4.524224|3.910285|3.047913|32.803452|7.676555|9.140559|17.597079|36.858105| |1.839225|2.128216|4.178221|2.820456|3.084140|3.939135|4.768685|3.927464|3.076039|30.809564|7.129052|9.798664|12.526191|17.632860|0.500000| |1.595221|1.793833|3.523519|2.296715|2.394413|2.850812|3.401628|3.130359|2.553168|26.926035|5.230111|6.092436|11.119056|12.523468|0.240997|36.858105| |1.595330|1.776823|3.531937|2.284054|2.312992|2.689488|3.261765|3.174064|2.601315|29.268453|5.178909|5.596082|11.013468|7.878661|0.165701|13.537122|36.858105| |1.813707|2.040355|4.153727|2.742197|2.727662|3.203493|4.124456|4.162266|3.251722|43.567769|7.825763|7.218222|18.780994|8.006132|0.170216|8.111939|12.384724|36.858105| |1.863517|2.075195|4.283571|2.795760|2.687645|3.056822|3.925900|4.275133|3.411013|48.991596|6.709604|6.315007|11.389686|5.412939|0.126605|5.429117|7.732894|15.964095|73.516695| |1.481104|1.628079|3.220860|2.045563|2.046692|2.322152|2.751651|2.742676|2.319037|24.935041|4.019279|4.490153|7.459560|5.269166|0.121446|7.879810|15.770232|8.020706|11.793299|73.516695| |1.444529|1.611419|3.112346|1.995994|2.097088|2.456215|2.803177|2.569551|2.166359|21.010653|3.824781|4.784626|6.962467|7.286812|0.177038|13.282885|7.584804|5.087167|6.959127|10.972070|36.858105| |1.333671|1.471831|2.831680|1.791112|1.861231|2.135090|2.407076|2.256849|1.940616|18.468666|3.176497|3.960087|5.544889|5.109280|0.126570|8.087707|6.464459|4.322962|6.260018|11.097264|15.739408|73.516695| |1.434230|1.607847|3.064054|1.964674|2.109434|2.488332|2.751454|2.447311|2.083681|19.013999|3.483044|4.660985|5.852343|6.255699|0.177916|7.496454|4.936472|3.937332|5.631033|7.412808|12.498117|14.573066|36.858105| |1.493792|1.685158|3.198443|2.059882|2.240724|2.666143|2.908701|2.538653|2.162437|19.213934|3.543995|4.918569|5.684069|5.835333|0.194523|6.055524|4.301305|3.698192|5.383905|6.468600|7.463257|9.836433|13.650510|36.858105| |1.448055|1.631775|3.050084|1.947136|2.145072|2.525781|2.653165|2.300682|2.000712|16.808662|3.002429|4.318075|4.545991|4.345416|0.142839|4.259716|3.290329|2.959841|4.471732|5.124250|4.998174|7.366681|7.935054|13.815221|36.858105| |1.357266|1.519891|2.818871|1.782076|1.959208|2.274841|2.358847|2.064789|1.819040|15.013787|2.622598|3.762144|3.941730|3.696464|0.113913|3.671263|2.903417|2.604735|3.988619|4.615094|4.415477|6.868248|6.824120|7.898317|13.695080|36.858105| |1.312128|1.462462|2.725633|1.719410|1.869720|2.161550|2.272853|2.014875|1.771482|14.919072|2.598013|3.643655|3.997463|3.798169|0.110372|3.933327|3.078324|2.684975|4.086751|4.925519|5.022468|8.021654|7.907838|6.867082|7.964174|13.746212|36.858105| |1.344587|1.498908|2.827155|1.793643|1.929505|2.244291|2.424470|2.167099|1.879171|16.518196|2.923857|3.978632|4.707269|4.678171|0.129615|5.230069|3.866774|3.202610|4.751211|6.099338|7.615198|11.704642|13.792181|7.951800|6.910781|7.919421|13.702840|36.858105| |1.229650|1.361143|2.520467|1.574310|1.704581|1.941044|2.019049|1.810099|1.613088|13.323784|2.260408|3.164256|3.420645|3.116092|0.088244|3.217446|2.637522|2.331917|3.620213|4.317216|3.949017|6.690320|5.280282|4.615046|5.198444|7.863005|14.043268|8.188285|73.516695| |1.188003|1.311570|2.404958|1.491564|1.622175|1.828911|1.867780|1.674417|1.510623|12.115157|2.022943|2.868941|2.985925|2.640538|0.075973|2.660008|2.240654|2.031828|3.204831|3.694064|3.117651|5.294428|3.984348|3.797170|4.524278|6.751130|8.019846|5.267980|24.326476|36.858105| |1.785201|2.052396|4.012805|2.679691|2.906070|3.628259|4.303646|3.648651|2.914156|28.669040|6.112558|8.201321|10.478258|12.440611|0.249096|7.422188|5.457335|5.537261|7.560129|7.350597|5.837409|7.887493|5.584745|4.918469|4.036389|3.712758|3.974068|4.802068|5.988079|2.836746|36.858105| |1.714288|1.944477|3.807158|2.497837|2.637221|3.159363|3.708522|3.342493|2.739600|26.975298|5.100740|6.445650|8.484950|7.480645|0.155580|6.088563|5.158505|5.201821|7.461629|7.327761|5.012710|7.420976|4.479487|3.802826|3.232328|3.106890|3.441755|4.155140|5.480217|2.605109|13.697742|36.858105| |1.664956|1.879404|3.623865|2.342632|2.489719|2.919071|3.263434|2.948170|2.506015|22.542910|3.955610|5.301564|5.959219|4.994059|0.116928|4.302481|3.780177|3.805097|5.835562|5.741364|3.906413|6.099707|3.734475|3.230740|2.899646|2.904417|3.250137|3.734192|5.424110|2.622333|7.932196|13.781734|36.858105| |1.674439|1.901931|3.604970|2.327037|2.540545|2.993672|3.201744|2.800805|2.416945|20.301923|3.564888|5.100706|5.124191|4.403312|0.111221|3.705851|3.178125|3.200493|4.963765|4.872572|3.508374|5.454958|3.621571|3.238134|3.035243|3.117382|3.450196|3.749199|5.847102|2.882923|6.815069|7.899089|13.739487|36.858105| |1.738552|2.000235|3.773980|2.469070|2.774297|3.378338|3.557878|2.971245|2.531909|20.989919|3.863072|5.845548|5.485110|5.000692|0.134242|3.962022|3.249553|3.277448|4.995613|4.886181|3.768362|5.645837|4.147476|3.854096|3.676020|3.737989|3.999164|4.219031|6.496113|3.214046|7.905469|6.886409|7.997137|13.786767|36.858105| |1.799007|2.084848|3.993760|2.662098|2.995355|3.788512|4.183407|3.390386|2.783030|24.509132|4.933802|7.564159|7.291926|7.543491|0.206989|5.226332|4.008499|4.057107|5.916046|5.756533|4.725788|6.634022|5.245364|4.961274|4.439327|4.199759|4.365665|4.846311|6.579315|3.177484|13.758424|7.971841|6.925887|7.929326|13.737580|36.858105| |1.708205|1.964139|3.627618|2.342878|2.678561|3.200435|3.190551|2.661841|2.334843|18.170859|3.209134|4.969430|4.412154|3.870215|0.109606|3.200276|2.685233|2.705039|4.225510|4.139785|3.141920|4.830580|3.578989|3.481850|3.548546|3.733871|3.850097|3.752951|6.470480|3.381143|5.204206|4.616222|5.269844|8.101245|14.000415|7.945867|73.516695| |17.573537|8.862141|12.969150|4.873143|4.018399|3.136551|2.866392|3.143868|4.018191|18.072820|2.249260|3.235288|2.641394|1.766985|0.049734|1.574353|1.583484|1.803683|3.314662|2.621582|1.423529|2.344051|1.404940|1.450620|1.400709|1.318876|1.284199|1.321111|2.147044|1.163928|1.768019|1.718809|1.677864|1.677953|1.721988|1.770162|2.992243|0.500000| |17.573001|8.861802|12.971599|4.868141|4.017515|3.134542|2.862910|3.137991|4.010133|18.042326|2.245941|3.231923|2.637178|1.762587|0.050187|1.576767|1.587165|1.805960|3.322504|2.631257|1.426822|2.347622|1.411142|1.473503|1.424154|1.328793|1.282589|1.317164|2.131637|1.157030|1.728358|1.655898|1.594663|1.593128|1.655744|1.728312|2.878454|0.301062|0.500000| |17.542679|8.859968|10.260048|4.230710|3.846107|3.006336|2.652703|2.778109|3.387392|16.029308|2.070482|3.030141|2.454217|1.672474|0.047710|1.492092|1.483510|1.666323|3.022042|2.454864|1.363504|2.243914|1.362878|1.421444|1.389083|1.308579|1.262457|1.285337|2.112272|1.154600|1.670693|1.603759|1.568850|1.590523|1.654039|1.698739|2.920253|0.300250|0.300248|0.500000| |8.851278|17.530805|16.541030|7.087653|6.799940|4.619063|3.768171|3.832158|4.797816|20.347055|2.667065|4.057369|3.055822|2.072045|0.059260|1.792507|1.761051|2.010682|3.601565|2.859890|1.616193|2.620921|1.621283|1.691881|1.646189|1.544968|1.490569|1.522413|2.476945|1.345444|2.103082|2.000971|1.960068|2.005013|2.105192|2.162163|3.706529|0.212142|0.173422|0.212584|0.500000| |8.852647|17.529230|16.539307|7.069692|6.793949|4.611834|3.759572|3.820692|4.782786|20.300073|2.661148|4.050148|3.048925|2.064755|0.060024|1.795899|1.765937|2.013597|3.611171|2.872181|1.620884|2.625714|1.630711|1.728355|1.684495|1.560889|1.487977|1.516292|2.453275|1.334777|2.037089|1.903471|1.830797|1.864704|1.987395|2.087072|3.496499|0.173437|0.212134|0.212657|0.301247|0.500000| |4.690866|7.455262|12.489934|8.862234|17.759977|8.971794|5.665147|4.981716|5.624598|24.391490|3.428602|5.665534|3.790529|2.594916|0.076498|2.163631|2.075532|2.387526|4.163999|3.295531|1.932102|3.069152|1.968405|2.098012|2.044612|1.885233|1.789600|1.822538|2.922772|1.581774|2.614788|2.384244|2.292381|2.380084|2.605461|2.753198|4.597165|0.115134|0.115218|0.118431|0.227311|0.227934|0.500000| |2.976871|3.899044|7.417720|5.624393|8.896167|17.729447|8.944305|5.654506|4.924676|28.830426|4.817110|9.514779|5.169593|3.676386|0.113432|2.854688|2.617834|3.016421|4.998734|4.009696|2.508766|3.852768|2.613739|2.840850|2.748914|2.479232|2.324199|2.374863|3.698853|1.973623|3.746561|3.181433|2.980529|3.162516|3.709500|4.146002|6.449059|0.077509|0.077476|0.076681|0.113695|0.113579|0.216029|0.500000| |4.113930|4.869085|13.472007|8.950018|5.637878|4.925382|5.588494|8.840965|17.736102|43.925364|4.282176|5.756570|4.549878|2.750277|0.076016|2.374810|2.471387|3.077296|5.927293|3.989780|2.026042|3.268886|1.927881|1.983596|1.832721|1.675363|1.641437|1.745947|2.672995|1.408560|2.618558|2.515587|2.310170|2.202992|2.269375|2.470160|3.721292|0.115760|0.115465|0.093165|0.120510|0.120146|0.124005|0.107071|0.500000| |1.563120|1.768177|3.383020|2.191796|2.372231|2.835913|3.146754|2.753622|2.322475|21.066592|3.925385|5.377418|6.321503|6.257109|0.223952|6.413610|4.681811|4.104706|5.937553|6.932583|6.907547|9.167318|8.889503|17.729730|8.927447|5.627802|4.950055|5.654389|6.510479|3.137559|4.736421|3.650485|3.040832|2.991956|3.512275|4.572319|5.615411|0.042020|0.043069|0.041127|0.048892|0.050561|0.061130|0.082912|0.059088|0.500000| |1.474608|1.664330|3.092378|1.969659|2.184100|2.559724|2.642469|2.283829|2.003594|16.376350|2.880699|4.211909|4.224568|3.848957|0.129048|3.678153|2.963028|2.748381|4.226817|4.657556|4.070576|6.159790|5.640434|8.940673|17.693848|8.933358|5.662663|4.969925|7.449758|3.917794|3.530967|2.859242|2.588008|2.720601|3.281622|3.899898|5.779405|0.039370|0.040381|0.039399|0.046473|0.048156|0.058246|0.077972|0.050865|0.215252|0.500000| |1.318661|1.472561|2.705235|1.697435|1.872981|2.150014|2.187514|1.919412|1.713383|13.741885|2.352616|3.408320|3.452056|3.119355|0.095761|3.053999|2.501850|2.291401|3.570910|4.029371|3.535931|5.663054|4.929185|5.641867|8.921230|17.748649|8.856413|5.623454|12.471908|7.477409|3.170124|2.713837|2.597816|2.830976|3.366319|3.629370|6.254125|0.035517|0.035820|0.035510|0.041668|0.042157|0.050626|0.065492|0.043891|0.124196|0.216620|0.500000| |1.295185|1.435521|2.710673|1.709969|1.821920|2.097464|2.273352|2.063431|1.799092|15.889904|2.756881|3.688517|4.455276|4.273536|0.112534|4.934811|3.813063|3.114951|4.666147|6.173431|7.091081|12.334126|8.930045|5.648180|4.974773|5.652204|8.947570|17.753264|13.454481|4.874215|4.549798|4.254594|3.909660|3.816867|4.041644|4.414014|6.298267|0.035536|0.035216|0.034386|0.040567|0.040091|0.047788|0.061023|0.046770|0.124162|0.107869|0.123987|0.500000| |1.132193|1.243430|2.275554|1.402975|1.517235|1.695203|1.729206|1.564272|1.420485|11.331061|1.866286|2.630600|2.744790|2.385435|0.067565|2.415696|2.073711|1.886336|3.001811|3.455929|2.799240|4.852311|3.409110|3.185819|3.622291|4.912629|5.874549|4.416437|17.026277|17.625166|2.585246|2.440223|2.502330|2.743756|2.961513|2.855257|5.543088|0.030913|0.030601|0.030617|0.035495|0.035025|0.041183|0.050504|0.036966|0.075088|0.089084|0.146123|0.121172|0.500000| |1.241410|1.377128|2.513706|1.562658|1.716599|1.942420|1.960466|1.738697|1.570031|12.403976|2.081029|3.000500|3.028129|2.675456|0.077964|2.611019|2.195228|2.028010|3.201406|3.580588|2.972604|4.927015|3.797632|3.750909|4.589433|6.758749|7.046956|4.774685|16.453944|17.539000|2.917960|2.644716|2.689783|3.043761|3.490722|3.389876|6.833883|0.033713|0.033468|0.033579|0.039409|0.039018|0.046734|0.058916|0.040437|0.086855|0.113141|0.224426|0.119961|0.300066|0.500000| |1.153388|1.269788|2.324799|1.437007|1.558998|1.749085|1.783518|1.605816|1.454248|11.619421|1.926203|2.725100|2.836645|2.482944|0.072186|2.527397|2.148237|1.945098|3.082899|3.569708|2.968742|5.092363|3.780197|3.738990|4.585357|6.752787|7.022827|4.758534|16.450259|17.537431|2.588000|2.362905|2.339670|2.527914|2.814364|2.851268|5.221587|0.031307|0.031315|0.031176|0.036023|0.036035|0.042302|0.052303|0.037756|0.086691|0.113333|0.225795|0.119814|0.300005|0.299221|0.500000| |1.673560|1.879773|3.712416|2.415594|2.487564|2.919881|3.483621|3.287393|2.703035|28.108097|5.049345|5.924726|8.878992|6.936345|0.140323|6.447854|6.107576|6.108977|8.738029|8.711686|5.061045|7.784243|4.162630|3.511699|2.944639|2.805583|3.103890|3.792754|4.974531|2.372737|8.901826|17.733977|8.929685|5.633793|4.960616|5.659681|6.512154|0.046814|0.045190|0.043327|0.053269|0.050908|0.062186|0.079829|0.070206|0.095803|0.072936|0.068340|0.110027|0.062210|0.065953|0.060581|0.500000| |1.596313|1.780900|3.429543|2.183736|2.280770|2.604645|2.891005|2.697834|2.341481|20.803338|3.446601|4.527271|5.134649|4.074786|0.096537|3.723420|3.444221|3.458091|5.483935|5.426029|3.431228|5.584158|3.213535|2.787479|2.524353|2.547754|2.857308|3.254468|4.889508|2.391247|5.645139|8.943269|17.700317|8.940695|5.675589|4.978050|7.561418|0.045016|0.042482|0.041823|0.051593|0.047873|0.058620|0.072888|0.060915|0.073444|0.063179|0.064104|0.096867|0.064492|0.067453|0.059584|0.215882|0.500000| |1.612312|1.816916|3.403854|2.163509|2.354587|2.705222|2.819908|2.506386|2.217667|17.897088|3.012442|4.316317|4.246225|3.527316|0.091119|3.081343|2.713913|2.729040|4.336420|4.268160|2.979926|4.768839|3.093365|2.802512|2.694548|2.821839|3.114865|3.278111|5.481676|2.776114|4.922695|5.615504|8.839923|17.726452|8.952231|5.649319|13.201319|0.045040|0.042444|0.042811|0.053566|0.049346|0.062192|0.079425|0.056596|0.072028|0.067936|0.072847|0.093763|0.074955|0.081838|0.067346|0.123698|0.213562|0.500000| |1.827352|2.131377|4.052823|2.711549|3.116766|4.012841|4.306519|3.387069|2.790875|23.777736|4.797121|7.792362|6.851721|7.035273|0.231472|4.917808|3.759016|3.807859|5.600394|5.439591|4.551067|6.350029|5.414264|5.716154|5.298944|4.763595|4.585197|4.833719|6.663644|3.287746|8.934617|5.658556|4.977593|5.646245|8.921286|17.693635|12.825441|0.049435|0.048902|0.048077|0.061119|0.060116|0.080179|0.126802|0.068229|0.146834|0.131551|0.114163|0.115881|0.080254|0.099125|0.083257|0.124274|0.107918|0.124392|0.500000| |1.724191|1.991927|3.664058|2.374807|2.752448|3.327321|3.269991|2.682863|2.349343|18.129829|3.237699|5.120844|4.428904|3.939829|0.116612|3.231881|2.679257|2.693312|4.191807|4.117215|3.196126|4.861645|3.766469|3.822463|4.028787|4.207031|4.129656|3.894648|6.735595|3.574051|5.018901|4.194263|4.453440|6.067094|10.035321|7.872427|35.774278|0.046813|0.045534|0.046139|0.058454|0.056018|0.074201|0.107507|0.058189|0.095780|0.103671|0.111061|0.098525|0.089179|0.115599|0.087103|0.094473|0.101288|0.151741|0.234795|0.500000|
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