Version2.4 2021-05-29T06:37:40Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 03-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCC1=C(S[C@H]2[C@@H]1C(=O)N([C@@H](N2)SCc3[nH]c(=O)c4ccc(cc4n3)C(=O)[O-])CCOC)C C39722767 RHF 6-31G(d) (6D,7F) CCC1=C(S[C@H]2[C@@H]1C(=O)N([C@@H](N2)SCc3[nH]c(=O)c4ccc(cc4n3)C(=O)[O-])CCOC)C C01[X(C22H25N4O5S2)] 168 C1 553 COCCN1[C@H](SCc2nc3cc(ccc3c(=O)[nH]2)C(=O)[O-])N[C@@H]2[C@H](C1=O)C(=C(S2)C)CC COCCN1[C@H](SCc2nc3cc(ccc3c(=O)[nH]2)C(=O)[O-])N[C@@H]2[C@H](C1=O)C(=C(S2)C)CC CCC1=C(C)S[C@@H]2N[C@@H](SCC3=Nc4cc(ccc4C(=O)N3)C([O-])=O)N(CCOC)C(=O)[C@H]12 InChIKey=DBIOQUYVRUTWAH-ZWCUEREDSA-M InChI=1S/C22H26N4O5S2/c1-4-13-11(2)33-19-17(13)20(28)26(7-8-31-3)22(25-19)32-10-16-23-15-9-12(21(29)30)5-6-14(15)18(27)24-16/h5-6,9,17,19,22,25H,4,7-8,10H2,1-3H3,(H,29,30)(H,23,24,27)/p-1/t17-,19+,22-/m1/s1 InChI=1/C22H26N4O5S2/c1-4-13-11(2)33-19-17(13)20(28)26(7-8-31-3)22(25-19)32-10-16-23-15-9-12(21(29)30)5-6-14(15)18(27)24-16/h5-6,9,17,19,22,25H,4,7-8,10H2,1-3H3,(H,29,30)(H,23,24,27)/p-1/t17-,19+,22-/m1/s1/fC22H25N4O5S2/h24H/q-1 CCC1=C(S[C@H]2[C@@H]1C(=O)N([C@@H](N2)SCc3[nH]c(=O)c4ccc(cc4n3)C(=O)[O-])CCOC)C C01[X(C22H25N4O5S2)] 168 C01 553 COCCN1[C@H](SCc2nc3cc(ccc3c(=O)[nH]2)C(=O)[O-])N[C@@H]2[C@H](C1=O)C(=C(S2)C)CC COCCN1[C@H](SCC2=N[C]3[C]([CH][CH][C]([CH]3)[C](=O)=O)C(=O)N2)N[C@@H]2[C@H](C1=O)C(=C(S2)C)CC CCC1=C(C)S[C@@H]2N[C@@H](SCC3=N[C]4[CH][C]([CH][CH][C]4C(=O)N3)[C](=O)=O)N(CCOC)C(=O)[C@H]12 InChIKey=OMJWSWZCKVEQTJ-ZWCUEREDSA-N InChI=1S/C22H25N4O5S2/c1-4-13-11(2)33-19-17(13)20(28)26(7-8-31-3)22(25-19)32-10-16-23-15-9-12(21(29)30)5-6-14(15)18(27)24-16/h5-6,9,17,19,22,25H,4,7-8,10H2,1-3H3,(H,23,24,27)/t17-,19+,22-/m1/s1 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87.9762 102.2560 107.7240 127.8196 131.9265 138.5923 155.3771 168.7652 172.2742 186.4603 220.0697 240.7326 250.7598 255.7219 262.1611 276.1513 294.7152 302.7759 325.9177 332.8878 344.9374 354.2450 374.2912 378.4507 413.8768 433.8851 453.5760 458.6524 488.4084 511.6322 529.1739 534.5613 538.9845 565.0150 589.0051 596.7239 611.5252 631.7796 635.7050 641.7702 669.1418 679.0412 703.5240 709.6721 721.5598 738.3891 763.0578 770.9433 793.5792 812.8928 845.9898 857.1341 863.2178 889.1490 890.0415 890.3971 907.2900 912.3863 958.3042 973.2924 979.0301 1015.4683 1025.7620 1030.8240 1052.2967 1062.9993 1090.4495 1103.9149 1122.1579 1125.0958 1134.4666 1147.4356 1157.0559 1176.2344 1177.3567 1195.2776 1218.5845 1219.7238 1226.7445 1235.8250 1253.2510 1270.3144 1279.1913 1296.0870 1303.8262 1304.5251 1315.4909 1324.3808 1334.3319 1365.3425 1372.7362 1390.0503 1392.7235 1402.3004 1409.5253 1419.7892 1423.6325 1439.2540 1451.6393 1471.3790 1477.7757 1487.3374 1499.8821 1517.7761 1533.3960 1541.6503 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8 6 6 8 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 1.00783 12.00000 1.00783 12.00000 15.99491 14.00307 12.00000 1.00783 14.00307 31.97207 12.00000 12.00000 14.00307 1.00783 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 15.99491 12.00000 12.00000 15.99491 12.00000 12.00000 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 1.00783 7800.1967 40220.1413 43636.3209 1.00000 -0.00015 -0.00023 0.00016 0.99955 0.02989 0.00023 -0.02989 0.99955 1 0.01110 0.00215 0.00198 0.23137 0.04487 0.04136 13.18 20.53 25.87 35.90 60.11 68.80 73.56 87.83 92.58 112.94 119.19 126.58 147.12 154.99 183.90 189.81 199.40 223.55 242.82 247.86 268.27 316.63 346.36 360.79 367.93 377.19 397.32 424.03 435.63 468.92 478.95 496.29 509.68 538.52 544.51 595.48 624.26 652.59 659.90 702.71 736.12 761.36 769.11 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0.524176 0.525120 0.426951 -2234.363354 -2234.333110 -2234.332166 -2234.430335 3.292604D-04 MUNgauss RevisionA2.1 retrievium 29-May-2021 DUDE CCC1=C(S[C@H]2[C@@H]1C(=O)N([C@@H](N2)SCc3[nH]c(=O)c4ccc(cc4n3)C(=O)[O-])CCOC)C C39722767 RHF 6-31G(d) (6D,10F) C1 489.126639 |X|Y|Z| 57.194621 36.979291 143.023943 67.128587 21 6 7 16 15 4 2 |36.858105| |12.413959|36.858105| |7.513835|12.613886|36.858105| |5.489542|7.510365|14.361683|36.858105| |3.879928|4.641066|7.247674|10.670132|388.023441| |4.350770|4.964652|7.772144|7.408486|72.996210|36.858105| |4.481799|4.663339|6.665485|6.414924|56.658577|17.636752|0.500000| |5.690366|7.261479|12.506834|7.982112|50.445281|12.515762|0.246946|36.858105| |6.216856|6.844543|8.775625|5.891352|37.460064|8.913036|0.225925|17.545858|0.500000| |4.364979|5.733119|7.594928|5.779561|39.203223|7.485528|0.153966|12.459786|0.251915|36.858105| |4.438537|6.069580|6.666317|5.000999|30.935779|5.221164|0.118572|8.067863|0.195716|15.792019|73.516695| |3.366203|4.111723|5.256877|4.652288|36.930605|6.761053|0.138930|7.626800|0.171990|14.030632|15.138393|53.358707| |3.027025|3.509399|4.582074|4.404873|41.029870|7.787761|0.158240|6.467252|0.149950|7.635268|9.427241|17.744340|36.858105| |2.808920|3.289468|4.301608|4.439951|44.489017|6.705019|0.140122|5.437220|0.123476|6.185949|8.242185|12.505386|17.578115|0.500000| |3.417940|3.807155|5.166999|4.923796|48.097553|13.399649|0.259913|7.899022|0.188193|6.917891|8.568480|10.929855|13.209920|0.250491|53.358707| |2.429984|2.687851|3.230132|3.107388|27.124655|4.754240|0.113146|4.187528|0.108807|4.790076|6.880139|9.352439|10.443959|0.227230|9.769385|388.023441| |2.551485|2.739220|3.165728|2.890032|23.391770|4.414012|0.110633|4.220482|0.119837|4.759628|7.074021|8.187719|6.863679|0.142882|8.432743|74.702977|36.858105| |2.160108|2.268634|2.539984|2.358932|18.812367|3.327057|0.087026|3.182434|0.091326|3.474443|5.471673|5.613091|4.575423|0.106320|5.846309|49.235516|12.642013|36.858105| |2.124544|2.185062|2.379254|2.178784|16.807170|2.966690|0.079549|2.932923|0.086973|3.142340|5.109369|4.773662|3.670459|0.086587|4.915061|33.727503|7.874562|13.859221|53.358707| |2.308207|2.353663|2.535425|2.278466|17.232760|3.105348|0.083738|3.156755|0.096254|3.363551|5.513744|4.945577|3.672766|0.085442|5.036818|31.276087|7.468936|9.211275|26.019057|0.500000| |1.860543|1.894687|2.032075|1.883404|14.415863|2.454866|0.066691|2.422077|0.071365|2.561439|4.252766|3.820218|2.926452|0.071652|3.932432|26.112473|5.090070|7.818867|18.736799|0.261729|36.858105| |1.814117|1.823712|1.922602|1.772342|13.318432|2.253867|0.061883|2.259148|0.067373|2.363664|3.990945|3.427595|2.570063|0.063383|3.505865|21.719949|4.096067|5.424139|11.579388|0.219513|15.826003|73.516695| |1.688726|1.733160|1.873180|1.768051|13.741706|2.277745|0.061610|2.202760|0.063464|2.333228|3.859333|3.543398|2.780058|0.069794|3.667646|25.716331|4.500818|6.976933|10.940577|0.161813|13.059323|14.175237|36.858105| |1.510684|1.541101|1.648231|1.566135|12.069879|1.956982|0.053326|1.898262|0.054561|1.993576|3.339460|2.978918|2.315429|0.059298|3.073252|20.524460|3.383655|4.616576|7.058213|0.118029|7.666430|11.611506|13.627971|36.858105| |1.398411|1.432704|1.536879|1.477183|11.460661|1.821399|0.049532|1.750963|0.049719|1.837395|3.077023|2.759115|2.163762|0.056449|2.849182|19.173223|2.974744|3.876487|5.439464|0.093458|5.095310|7.904158|7.942001|13.878190|36.858105| |1.414593|1.462290|1.585670|1.537327|12.102944|1.906719|0.051463|1.809738|0.050759|1.908088|3.167680|2.913858|2.326523|0.061360|3.019204|21.212135|3.134512|4.060551|5.245704|0.089371|4.485830|6.672432|6.832680|7.895654|13.584420|36.858105| |1.555712|1.621156|1.780210|1.724376|13.767491|2.195533|0.058686|2.064185|0.057596|2.195383|3.595055|3.428132|2.792540|0.073057|3.568921|27.019435|3.947019|5.382048|6.359630|0.104303|5.089309|7.066272|7.897207|6.852592|7.932495|13.792409|36.858105| |1.719655|1.788654|1.966403|1.876359|14.911460|2.455861|0.065557|2.327425|0.065792|2.488065|4.049884|3.898873|3.160699|0.079934|4.062343|31.503148|5.146192|8.348563|9.657802|0.143749|7.720743|9.391322|13.611857|7.872392|6.857344|7.901675|13.679343|36.858105| |1.932030|2.035287|2.281157|2.168764|17.551767|2.964363|0.077656|2.775468|0.077791|3.012886|4.782150|4.906836|4.115746|0.101063|5.141895|46.543006|7.861599|15.138529|11.163707|0.164989|6.682429|8.363779|7.793375|5.131290|4.560278|5.182275|7.926591|13.610972|53.358707| |1.288804|1.333870|1.443655|1.414206|11.137186|1.714717|0.046324|1.622619|0.045137|1.703654|2.841477|2.587470|2.064010|0.055547|2.675272|18.274128|2.582809|3.134014|4.014655|0.071072|3.283644|5.124835|4.386554|4.969412|7.430643|12.252476|7.464746|4.960576|5.234444|36.858105| |1.205967|1.241346|1.332464|1.303755|10.163725|1.558901|0.042343|1.485579|0.041500|1.552223|2.608876|2.327113|1.834449|0.049367|2.398934|15.809780|2.266359|2.706766|3.578819|0.064489|2.973866|4.805745|3.830245|4.599540|6.879020|8.113908|5.286658|4.003389|4.329618|15.492883|73.516695| |1.294498|1.348152|1.469059|1.450563|11.537185|1.755651|0.047185|1.647488|0.045394|1.733120|2.877262|2.655400|2.141327|0.058412|2.748383|19.067736|2.585334|3.056932|3.784557|0.067431|2.968524|4.605345|3.817783|3.999774|5.260834|8.102897|6.866751|4.572113|5.175045|15.510040|15.157332|73.516695| |2.837852|3.440061|4.036724|3.694617|28.131025|4.484515|0.100529|4.997293|0.121249|7.958018|12.768816|17.700700|7.580637|0.190385|6.938505|42.175072|5.123459|3.847762|4.478459|0.092910|2.701350|4.311625|2.549438|2.163598|2.021753|2.145367|2.514647|2.817393|4.741645|1.918208|3.066039|3.512864|36.858105| |2.689273|3.335635|3.881403|3.754760|28.087247|3.943670|0.089594|4.308047|0.101795|6.116213|10.650539|10.405575|5.661297|0.167975|5.652409|31.540865|3.707455|2.994773|3.564016|0.073395|2.235572|3.621010|2.152225|1.874740|1.783382|1.899834|2.186525|2.370176|3.844589|1.739647|2.799674|3.215404|12.551411|36.858105| |2.489599|3.021756|3.630159|3.746113|30.598873|3.994929|0.090742|3.981210|0.093059|5.051639|8.108103|8.838349|5.956363|0.207011|5.834695|33.144619|3.553880|2.911521|3.395734|0.068709|2.149033|3.453368|2.111885|1.846766|1.780655|1.925486|2.227812|2.369605|3.853601|1.783423|2.852641|3.343172|8.030044|13.636089|73.516695| |2.302010|2.781776|3.253700|3.484717|27.561869|3.354334|0.078836|3.337703|0.079072|3.949621|6.642069|6.171753|4.286976|0.144781|4.663176|25.121559|2.827026|2.408169|2.873809|0.058207|1.860027|3.025555|1.840087|1.638508|1.594770|1.720244|1.955004|2.042946|3.227058|1.619908|2.613292|3.045500|5.210575|8.129327|24.345918|36.858105| |4.745188|5.996266|7.456164|12.687487|48.424767|4.756017|0.123932|4.940211|0.114226|4.087816|6.803691|4.755268|3.346527|0.096362|4.896484|18.054315|2.360414|1.993700|2.531280|0.053673|1.640104|2.765143|1.554045|1.395926|1.327253|1.379781|1.529847|1.641996|2.535906|1.283846|2.117175|2.344662|2.997101|3.177171|5.719111|3.188328|36.858105| |17.544975|8.728980|6.801950|4.925946|27.043925|4.661923|0.137577|6.149120|0.212437|4.566754|8.019871|4.801217|3.197434|0.080328|5.052819|18.429722|2.807386|2.362780|3.196316|0.071840|2.038444|3.543779|1.826338|1.623486|1.490320|1.500641|1.654431|1.848029|2.834797|1.356304|2.254045|2.411279|2.914173|2.670652|4.388785|2.241592|4.054786|0.500000| |17.548308|8.753544|6.766312|5.638793|28.288546|4.237941|0.126125|5.037715|0.146353|3.810098|6.643866|4.170380|2.860149|0.075004|4.466808|16.413362|2.379866|2.034947|2.709688|0.059470|1.757229|3.040890|1.609844|1.447356|1.347553|1.366851|1.499440|1.645002|2.505020|1.252182|2.085023|2.241642|2.588016|2.488173|4.201068|2.214300|5.185970|0.301722|0.500000| |17.541753|8.782277|5.486768|4.320970|22.808979|3.511592|0.099501|4.439199|0.134310|3.719344|7.009580|4.014246|2.638346|0.068445|3.944920|15.513343|2.307157|1.989683|2.694508|0.059800|1.754189|3.069394|1.591339|1.434572|1.328304|1.336847|1.459369|1.608029|2.432060|1.221198|2.041277|2.174202|2.576753|2.462604|4.022010|2.115157|3.991644|0.302227|0.300999|0.500000| |8.833227|17.608662|9.002191|5.796452|28.922309|4.539663|0.115355|6.910270|0.189052|6.367023|13.747158|5.974530|3.548879|0.090883|5.041509|19.587861|2.864892|2.364019|3.119814|0.069138|1.978448|3.393377|1.796094|1.592289|1.473176|1.498725|1.662745|1.845554|2.861647|1.361072|2.251912|2.438352|3.766041|3.587181|5.535981|2.825034|4.707703|0.209278|0.172793|0.213096|0.500000| |8.871012|17.580511|8.896782|7.038500|30.430171|4.151161|0.108587|5.439812|0.138451|4.683165|8.972404|4.872359|3.105008|0.083363|4.464985|17.229208|2.418084|2.038593|2.666944|0.058017|1.720985|2.949029|1.591074|1.426853|1.336249|1.366678|1.507040|1.645123|2.526376|1.256912|2.084983|2.264855|3.128462|3.171740|5.163720|2.764179|6.765109|0.172877|0.211401|0.213239|0.304816|0.500000| |3.023154|3.266490|4.265253|4.273442|43.368637|9.351647|0.229455|5.761210|0.144856|5.087161|6.846584|7.991824|9.454044|0.219302|25.958964|49.670043|5.705031|4.243737|4.796413|0.097848|2.870904|4.519219|2.733730|2.298585|2.150598|2.300716|2.731097|3.070306|5.269759|2.046706|3.247924|3.760531|4.232005|3.595729|6.852163|3.175070|3.290190|0.090662|0.082552|0.072162|0.087293|0.080089|0.500000| |2.799402|2.942771|3.434363|3.095541|25.067025|5.079447|0.131699|4.730243|0.140150|4.913091|7.128718|7.790024|6.668239|0.136948|9.896337|56.483295|17.598945|8.937976|9.658034|0.206248|4.747385|7.089171|4.072477|3.147766|2.758386|2.856621|3.484990|4.428383|8.299631|2.382660|3.765840|4.219273|4.503483|3.393972|5.818908|2.658763|2.490804|0.087452|0.072697|0.069415|0.084360|0.071024|0.185339|0.500000| |2.665505|2.903806|3.289695|2.925992|22.716849|4.234557|0.104307|4.396874|0.126031|5.359394|8.232360|9.158174|6.407948|0.134515|7.493318|56.351092|17.564360|8.961410|9.682105|0.206737|4.755871|7.099027|4.078675|3.151285|2.760814|2.858895|3.488393|4.435041|8.315323|2.383903|3.767733|4.220845|6.029146|4.083763|6.565942|2.910275|2.387289|0.081388|0.067776|0.067453|0.086680|0.070839|0.133041|0.302655|0.500000| |1.478112|1.496285|1.584136|1.498440|11.409793|1.849909|0.050718|1.812739|0.052521|1.893216|3.199894|2.784053|2.133694|0.054584|2.861319|18.331119|3.055821|3.994291|6.429682|0.113188|7.113002|12.858963|8.934998|17.728278|8.901983|5.610208|4.942473|5.628706|5.670723|4.050776|7.051000|5.919702|2.017833|1.756526|3.052507|1.532517|1.340716|0.044209|0.039292|0.039206|0.043015|0.038496|0.059059|0.080580|0.080665|0.500000| |1.301199|1.328356|1.415878|1.364426|10.517512|1.654352|0.045163|1.595876|0.045309|1.666807|2.810315|2.477730|1.929058|0.050706|2.552041|16.658703|2.551047|3.189581|4.512077|0.080155|4.122624|6.794312|5.631254|8.903570|17.763474|8.970387|5.674110|4.948184|4.939944|7.033870|14.039847|8.656216|1.820057|1.625841|2.886463|1.469249|1.235441|0.038393|0.034915|0.034484|0.037887|0.034568|0.053451|0.066552|0.066602|0.211998|0.500000| |1.551068|1.628771|1.803948|1.765579|14.287160|2.243707|0.059536|2.084628|0.057390|2.222978|3.617649|3.517322|2.917007|0.077805|3.668060|28.710198|3.865285|4.918772|5.523506|0.093340|4.135831|5.919353|5.626237|4.945719|5.650356|8.979329|17.772391|8.896818|9.892262|6.988747|8.622381|13.834812|2.594569|2.282497|4.214679|2.081814|1.568969|0.045544|0.041671|0.040288|0.046222|0.042222|0.078713|0.094243|0.094316|0.107418|0.124954|0.500000| |2.497312|2.921121|3.393288|3.185627|25.192343|4.010759|0.092422|4.170755|0.104604|5.831827|9.254965|12.503727|7.388265|0.188653|6.584243|51.487061|5.735625|4.379445|4.877789|0.098044|2.932543|4.581315|2.824309|2.369309|2.225260|2.396621|2.864326|3.209182|5.539722|2.130149|3.365018|3.926512|17.677396|8.947529|13.157878|4.872993|2.642489|0.071818|0.064158|0.063421|0.087184|0.074393|0.116764|0.130498|0.183255|0.060537|0.055148|0.083028|0.500000| |2.877041|3.468940|3.853744|3.400832|24.460463|3.967469|0.091957|4.686395|0.119612|7.468092|14.263215|12.511531|5.706919|0.139935|5.914367|34.630390|4.804258|3.724642|4.523095|0.095912|2.737534|4.434449|2.533090|2.157945|1.995600|2.084804|2.412589|2.728862|4.492143|1.855113|2.989645|3.358176|17.656347|8.935682|10.273742|4.273416|2.802853|0.082453|0.071555|0.073759|0.109650|0.087204|0.101248|0.118343|0.167960|0.056486|0.050067|0.067960|0.302008|0.500000| |2.400710|2.912217|3.241004|3.129777|22.955059|3.229822|0.075924|3.516777|0.086398|4.732836|8.736457|7.603086|4.427092|0.128981|4.639357|27.364481|3.323456|2.796844|3.371900|0.069076|2.151009|3.500897|2.085530|1.834064|1.753299|1.865758|2.128969|2.285868|3.638530|1.718729|2.775276|3.175817|8.925072|17.472498|16.541892|7.194721|2.748515|0.066163|0.061761|0.062227|0.087716|0.078018|0.084224|0.083534|0.102455|0.047822|0.044584|0.061668|0.213363|0.219896|0.500000| |2.999249|3.884846|4.486429|4.304418|29.941525|4.067251|0.092289|4.690278|0.108391|6.667233|12.560940|9.502406|5.047085|0.147130|5.444315|26.993599|3.330546|2.703268|3.294736|0.068854|2.078720|3.412694|1.981051|1.739016|1.649268|1.739840|1.979039|2.147001|3.433207|1.597626|2.591761|2.936806|8.845678|17.541064|16.525805|7.347113|3.647671|0.081007|0.076437|0.076179|0.117212|0.104189|0.095216|0.087688|0.101782|0.045659|0.042013|0.056918|0.174428|0.211355|0.300787|0.500000| |2.155300|2.550024|3.002579|3.294549|27.318003|3.235244|0.077112|3.083587|0.073600|3.485564|5.729880|5.461770|4.083970|0.142540|4.541115|24.619213|2.708393|2.338817|2.775264|0.055750|1.808702|2.933698|1.809101|1.617638|1.587588|1.725840|1.961229|2.024036|3.184410|1.639545|2.638761|3.109034|4.354939|5.859350|16.903319|17.619346|3.059149|0.058499|0.058392|0.054900|0.070720|0.070383|0.088511|0.071124|0.075603|0.041881|0.040681|0.058603|0.118445|0.100110|0.146692|0.148079|0.500000| |2.105252|2.512694|2.838225|2.969421|22.677464|2.864997|0.068704|2.905301|0.070597|3.451670|6.019657|5.317195|3.626813|0.116516|4.009629|22.543913|2.609318|2.272419|2.737064|0.055315|1.790531|2.923600|1.778833|1.595622|1.559026|1.679680|1.894736|1.966520|3.064948|1.590523|2.574456|2.989692|4.715660|7.211454|16.475710|17.498152|2.767823|0.056999|0.056019|0.054500|0.071839|0.069741|0.076316|0.067529|0.075407|0.041528|0.040047|0.055968|0.125775|0.112769|0.213468|0.178162|0.299802|0.500000| |2.484770|3.070463|3.588237|3.933208|29.632797|3.443494|0.080990|3.504740|0.081927|4.064842|6.970700|5.937419|4.007168|0.131597|4.558743|22.639831|2.643288|2.244217|2.720095|0.055698|1.762638|2.893485|1.726637|1.543098|1.494975|1.597670|1.801377|1.892494|2.968583|1.503058|2.440896|2.806439|4.752064|7.212730|16.476597|17.504689|3.691956|0.066054|0.066537|0.063333|0.085810|0.086579|0.085351|0.070478|0.075961|0.040368|0.038401|0.052782|0.117439|0.112368|0.172765|0.218701|0.299701|0.299427|0.500000| |4.335825|4.901644|5.883169|8.907860|44.753434|4.431352|0.122166|4.302521|0.103386|3.505547|5.763016|4.203871|3.071605|0.088455|4.615892|17.010434|2.228399|1.905654|2.426360|0.051286|1.582713|2.673242|1.505041|1.357858|1.294498|1.345344|1.486164|1.588210|2.437509|1.256047|2.075202|2.294442|2.652370|2.764853|5.063694|2.827973|17.545814|0.105289|0.139252|0.102169|0.108869|0.147208|0.088800|0.065835|0.061738|0.036259|0.033548|0.042346|0.066397|0.068903|0.067307|0.085492|0.077227|0.068777|0.088669|0.500000| 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