Version2.1 2020-12-29T07:53:50Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 03-Dec-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]2[C@@H]3C(=c4ccccc4=[NH+]3)CCN2C(=O)Nc5ccsc5C(=O)OC C63491671 RHF 6-31G(d) (6D,7F) COc1ccc(cc1)[C@@H]2[C@@H]3C(=c4ccccc4=[NH+]3)CCN2C(=O)Nc5ccsc5C(=O)OC C01[X(C25H24N3O4S1)] 165 C1 547 COc1ccc(cc1)[C@H]1N(CCC2=c3c(=[NH+][C@H]12)cccc3)C(=O)Nc1ccsc1C(=O)OC COc1ccc(cc1)[C@H]1N(CCC2=c3c(=[NH+][C@H]12)cccc3)C(=O)Nc1ccsc1C(=O)OC COC(=O)c1sccc1NC(=O)N2CCC3=C4C=CC=CC4=[NH+][C@@H]3[C@H]2c5ccc(OC)cc5 InChIKey=QBNYLPHZPWEUPF-FCHUYYIVSA-O InChI=1S/C25H23N3O4S/c1-31-16-9-7-15(8-10-16)22-21-18(17-5-3-4-6-19(17)26-21)11-13-28(22)25(30)27-20-12-14-33-23(20)24(29)32-2/h3-10,12,14,21-22H,11,13H2,1-2H3,(H,27,30)/p+1/t21-,22+/m0/s1 InChI=1/C25H23N3O4S/c1-31-16-9-7-15(8-10-16)22-21-18(17-5-3-4-6-19(17)26-21)11-13-28(22)25(30)27-20-12-14-33-23(20)24(29)32-2/h3-10,12,14,21-22H,11,13H2,1-2H3,(H,27,30)/p+1/t21-,22+/m0/s1/fC25H24N3O4S/h26-27H/q+1 COc1ccc(cc1)[C@@H]2[C@@H]3C(=c4ccccc4=[NH+]3)CCN2C(=O)Nc5ccsc5C(=O)OC C01[X(C25H24N3O4S1)] 165 C01 547 COc1ccc(cc1)[C@H]1N(CCC2=c3c(=[NH+][C@H]12)cccc3)C(=O)Nc1ccsc1C(=O)OC COC(=O)[C]1[C]([CH]=[CH]S1)NC(=O)N1CCC2=[C]3[C]([NH][C@@H]2[C@H]1[C]1[CH][CH][C]([CH][CH]1)OC)[CH]=[CH][CH]=[CH]3 CO[C]1[CH][CH][C]([CH][CH]1)[C@@H]2[C@H]3N[C]4C=CC=CC4=C3CCN2C(=O)N[C]5C=CS[C]5C(=O)OC InChIKey=VKJYSCVQNVTCTP-FCHUYYIVSA-N InChI=1S/C25H24N3O4S/c1-31-16-9-7-15(8-10-16)22-21-18(17-5-3-4-6-19(17)26-21)11-13-28(22)25(30)27-20-12-14-33-23(20)24(29)32-2/h3-10,12,14,21-22,26H,11,13H2,1-2H3,(H,27,30)/t21-,22+/m0/s1 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12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 15.99491 15.99491 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 12942.3756 24420.7241 32728.8745 0.99998 0.00376 -0.00455 -0.00375 0.99999 0.00118 0.00455 -0.00116 0.99999 1 0.00669 0.00355 0.00265 0.13944 0.07390 0.05514 14.11 30.99 41.20 55.47 69.64 85.85 101.21 112.97 126.19 143.06 158.99 170.74 178.39 216.53 233.24 243.54 270.54 282.60 301.14 334.90 361.05 369.35 391.74 410.80 444.06 460.61 477.66 510.20 534.92 559.66 628.43 642.97 670.77 701.64 708.02 720.03 730.84 753.06 760.42 785.57 819.99 827.85 860.77 879.57 889.38 910.64 995.45 1008.04 1027.49 1042.32 1055.79 1080.68 1119.16 1155.88 1169.63 1191.61 1206.40 1217.67 1230.39 1244.36 1262.64 1272.65 1292.80 1313.39 1318.30 1337.12 1361.68 1369.75 1379.14 1410.01 1434.96 1451.24 1517.04 1519.63 1523.00 1533.57 1551.64 1577.21 1594.65 1602.20 1610.61 1642.34 1662.66 1663.32 1687.21 1688.95 1752.02 1757.33 1771.06 1785.87 1795.62 1810.25 1820.69 1831.37 1860.06 1864.12 1864.76 1884.62 1900.45 1919.53 1930.02 1935.90 1948.03 1956.06 1989.23 2037.42 2041.82 2082.05 2082.95 2101.50 2109.49 2115.51 2140.42 2176.55 2188.26 2204.79 2230.73 2259.25 2266.66 2272.29 2292.75 2296.25 2314.35 2347.16 2352.46 2358.85 2361.78 2368.18 2375.81 2375.96 2383.32 2436.93 2448.82 2503.75 2537.22 2547.65 2589.94 2611.76 2656.19 2766.57 2793.42 4630.42 4640.86 4657.31 4692.40 4695.38 4728.10 4728.58 4739.69 4807.52 4815.50 4816.16 4832.97 4848.73 4875.88 4882.08 4890.83 4904.88 4906.49 4911.61 4916.98 4947.85 5009.13 5477.03 5562.50 0.491851 0.518908 0.519852 0.430956 -1820.321386 -1820.294330 -1820.293385 -1820.382281 2.981586D-04 MUNgauss RevisionA2.0 retrievium 29-Dec-2020 DUDE COc1ccc(cc1)[C@@H]2[C@@H]3C(=c4ccccc4=[NH+]3)CCN2C(=O)Nc5ccsc5C(=O)OC C63491671 RHF 6-31G(d) (6D,10F) C1 462.148753 |X|Y|Z| 108.374433 76.914779 37.990174 68.161003 26 6 7 16 22 3 1 |36.858105| |13.555422|73.516695| |8.008837|25.336833|36.858105| |5.255166|14.624975|13.656638|36.858105| |3.984031|9.439677|7.917654|13.846066|36.858105| |3.771096|8.184266|6.792835|7.893218|13.637979|36.858105| |4.508917|9.272618|7.949895|6.924734|7.998164|13.745977|36.858105| |6.706241|14.021583|13.725239|7.935631|6.873024|7.855301|13.739292|36.858105| |2.918192|5.989232|4.409758|4.972093|7.393565|12.553856|7.651055|5.027627|36.858105| |2.835008|5.627704|4.054588|4.262010|5.668997|9.090505|7.512443|4.883191|17.577428|0.500000| |2.539275|5.234788|3.669751|4.339658|6.234632|7.363412|5.046628|3.858045|12.234480|0.248886|36.858105| |2.500337|5.241122|3.631406|4.515015|6.593120|6.632003|4.512974|3.633489|8.771773|0.174903|17.596773|0.500000| |2.152713|4.293968|2.893785|3.252799|4.223861|4.938334|3.901868|3.089730|7.696939|0.201335|12.750251|0.247960|36.858105| |2.020369|3.983998|2.632259|2.905299|3.599291|4.080780|3.416910|2.798797|5.550706|0.160294|8.188493|0.173754|14.031055|36.858105| |1.771576|3.429319|2.211083|2.386545|2.831140|3.149852|2.777985|2.349074|4.002711|0.118301|5.072957|0.119680|7.418468|13.217755|36.858105| |1.696757|3.261537|2.073443|2.216053|2.560384|2.793199|2.524446|2.187710|3.349180|0.099527|4.098423|0.099283|5.133539|7.960619|14.194482|36.858105| |1.809529|3.494780|2.218387|2.374713|2.718292|2.920650|2.646735|2.320565|3.368418|0.099813|4.148906|0.100433|4.650942|6.887433|7.866225|13.175875|36.858105| |2.055007|4.035477|2.603244|2.831266|3.297918|3.527601|3.119692|2.707441|4.028006|0.118051|5.191877|0.122359|5.296460|7.659069|6.611855|7.711415|14.061261|36.858105| |2.210840|4.412480|2.932050|3.268981|4.040595|4.462330|3.711589|3.076308|5.556565|0.159387|8.358885|0.176523|8.444811|13.205499|7.643029|6.812998|8.070543|13.438020|36.858105| |2.552387|5.247436|3.615222|4.206361|5.586118|6.144175|4.659178|3.748124|7.539084|0.195682|13.172930|0.252641|8.310058|8.440365|5.292040|4.654337|5.255778|7.712485|14.492635|53.358707| |2.799422|5.867705|4.066670|4.826912|6.260963|6.349068|4.887927|4.085892|6.496833|0.167533|8.811005|0.205951|5.845440|5.913467|4.230193|3.944589|4.632065|6.791245|9.251776|26.001025|0.500000| |2.012567|3.960701|2.636063|2.909555|3.674203|4.294493|3.537795|2.834521|6.439146|0.167918|7.421236|0.181260|12.791498|7.334188|5.713149|4.098473|3.570610|3.796560|5.114083|7.001829|0.114561|36.858105| |2.214802|4.325232|2.926309|3.144162|3.974442|5.010753|4.247593|3.269175|7.842339|0.210054|6.513651|0.156533|7.728628|5.255979|4.255834|3.332216|3.038081|3.281628|4.250608|6.218456|0.107224|12.257932|36.858105| |2.618597|5.251141|3.702516|4.077580|5.514398|7.540843|5.749335|4.161131|13.026758|0.261004|7.759532|0.192852|6.781714|4.704828|3.653161|3.000480|2.884799|3.254761|4.251824|6.900808|0.123284|7.651087|13.063564|53.358707| |2.570135|5.233752|3.619421|4.149150|5.511791|6.288021|4.803724|3.813727|7.761242|0.159938|6.132069|0.184339|5.272432|3.853160|3.101390|2.604234|2.519423|2.821396|3.563917|5.778306|0.107632|6.047136|7.828497|18.396669|36.858105| |2.605654|5.456993|3.759103|4.616408|6.338359|6.193604|4.491358|3.727651|6.856717|0.138727|6.357434|0.223038|5.056439|3.786726|3.017710|2.570200|2.531178|2.877695|3.632196|6.071617|0.115657|5.272455|5.711146|11.323658|15.873297|73.516695| |2.375353|4.700643|3.134688|3.424298|4.150388|4.629894|3.982871|3.326240|5.284431|0.123707|4.340376|0.126340|4.078558|3.166118|2.688552|2.288240|2.188661|2.387442|2.899662|4.480547|0.084783|4.939133|6.565779|11.315126|14.106491|14.943661|53.358707| |2.186820|4.303904|2.772834|3.032090|3.496536|3.638300|3.215554|2.842264|3.903597|0.093948|3.456879|0.103628|3.284323|2.661402|2.322875|2.013088|1.930463|2.084289|2.466487|3.751397|0.072256|3.869070|4.564693|7.122186|7.739773|11.688705|18.612962|36.858105| |2.152235|4.300006|2.725845|3.068872|3.476811|3.385934|2.944190|2.682059|3.495413|0.083195|3.264296|0.102013|3.030669|2.501442|2.183916|1.916303|1.858224|2.015868|2.364388|3.618807|0.070758|3.406190|3.713219|5.834269|6.217232|11.630934|10.295548|13.299943|36.858105| |1.940240|3.808710|2.349642|2.586037|2.824130|2.747650|2.470764|2.305709|2.807894|0.068980|2.657768|0.081455|2.522937|2.145695|1.918710|1.705624|1.651831|1.770216|2.033083|3.050708|0.060058|2.818096|3.021558|4.530194|4.355687|7.961974|7.135948|8.292349|14.123531|36.858105| |1.804056|3.457484|2.120696|2.258568|2.446209|2.468736|2.292152|2.135788|2.557157|0.064659|2.374051|0.070327|2.315919|1.990080|1.811634|1.612686|1.547583|1.637999|1.864966|2.750743|0.053867|2.641775|2.908501|4.188929|3.791603|6.412367|6.632755|7.411293|7.413625|11.143035|388.023441| |1.982414|3.809809|2.398734|2.545263|2.837762|2.976604|2.749305|2.481109|3.170705|0.079723|2.833197|0.082721|2.775169|2.320239|2.083149|1.824237|1.739187|1.849274|2.143879|3.184453|0.061570|3.277116|3.837315|5.556934|5.175078|7.966558|10.784181|13.944523|8.177892|7.775641|78.128716|36.858105| |1.901991|3.584682|2.251433|2.326912|2.578108|2.793634|2.664200|2.390703|3.019381|0.078693|2.653434|0.074965|2.664419|2.256181|2.058064|1.804018|1.706265|1.795548|2.066112|3.020361|0.058132|3.187650|3.864009|5.298074|4.450893|6.600128|8.820981|7.570492|5.095299|4.896650|48.169583|13.019094|36.858105| |1.978261|3.712439|2.362113|2.415375|2.709513|3.041984|2.934976|2.572366|3.371577|0.089594|2.877610|0.079294|2.924865|2.458350|2.236949|1.945156|1.830028|1.924678|2.229573|3.249620|0.062018|3.562320|4.600011|6.108536|4.799451|6.761180|9.425405|6.512691|4.405243|3.989941|34.436282|8.096735|15.835185|73.516695| |1.724527|3.212695|1.980331|2.029562|2.203070|2.351346|2.274230|2.086003|2.500993|0.066095|2.246534|0.063441|2.267789|1.968021|1.826831|1.622377|1.535853|1.602523|1.813932|2.621826|0.050816|2.657353|3.090119|4.181979|3.417657|5.314275|6.131642|5.275319|4.123821|4.316596|46.274639|8.233213|14.527108|15.284833|73.516695| |1.626615|2.988685|1.831822|1.849723|1.993756|2.152358|2.122315|1.952465|2.294354|0.062057|2.059974|0.057220|2.104597|1.856681|1.748524|1.562954|1.474702|1.525614|1.709548|2.441382|0.047319|2.450322|2.848790|3.759761|2.924821|4.550974|4.981663|3.930801|3.189877|3.265471|31.241622|5.229062|8.130009|12.761063|23.803175|36.858105| |17.576446|16.429150|7.054685|4.779001|3.804400|3.729720|4.574643|6.712381|2.919590|0.078994|2.485399|0.067854|2.129857|1.978659|1.740641|1.654579|1.742901|1.961201|2.127387|3.323330|0.072962|2.026191|2.269622|3.660850|2.649547|4.689896|3.397845|2.300478|2.236675|2.021851|13.523039|2.102093|2.030815|3.762167|3.273155|1.739406|0.500000| |17.572506|16.423775|7.007345|4.741088|3.776191|3.709259|4.560606|6.697169|2.910934|0.080468|2.539989|0.068259|2.166304|2.061036|1.813895|1.751248|1.882406|2.141055|2.276680|3.548038|0.079797|2.005536|2.200295|3.494682|2.457929|4.388593|3.076451|2.059006|2.006938|1.808999|12.056373|1.873839|1.817801|3.392649|2.933241|1.570043|0.298501|0.500000| |17.666233|16.989243|5.893199|4.424717|3.417894|3.173816|3.618110|4.898106|2.539481|0.068342|2.267565|0.062666|1.946324|1.839480|1.629036|1.569583|1.674034|1.886841|2.007475|3.116245|0.069591|1.826693|1.984118|3.144488|2.297926|4.180095|2.918838|2.009686|2.003429|1.830424|12.093147|1.837331|1.757383|3.217900|2.862066|1.519823|0.299941|0.300016|0.500000| |4.873828|13.523797|8.954457|17.743701|8.914229|5.618005|4.981046|5.661341|4.044500|0.097494|3.773895|0.112686|2.916168|2.642633|2.205627|2.067450|2.220256|2.623804|2.966616|5.060586|0.118421|2.627320|2.766418|4.714024|3.642061|7.416015|4.191417|2.828943|2.960491|2.536451|15.529394|2.394530|2.165804|3.932123|3.399835|1.738085|0.120516|0.119472|0.121719|0.500000| |3.339337|7.656758|5.659778|9.036466|17.754305|8.852748|5.661852|4.955998|6.760054|0.140708|6.789343|0.231510|4.495675|3.772065|2.937521|2.635279|2.783264|3.377667|4.201034|7.971242|0.177941|3.871736|3.967878|7.284837|5.739038|13.287987|5.718376|3.619402|3.739157|2.996233|17.936277|2.886653|2.567029|4.725911|3.903481|1.968335|0.088724|0.087928|0.082521|0.217074|0.500000| |3.914765|7.481027|5.666692|4.977509|5.663371|8.923762|17.699093|8.985544|7.153200|0.229269|4.685282|0.112596|3.886021|3.437529|2.845707|2.577577|2.663251|3.074065|3.625334|5.878096|0.120659|3.607642|4.502869|7.826857|4.504053|7.119600|5.294275|3.103625|2.764957|2.348555|15.899846|2.716406|2.715754|5.454295|4.123348|2.201140|0.113080|0.112995|0.089094|0.107979|0.124013|0.500000| |7.406721|12.473329|8.860651|5.630421|4.956473|5.629904|8.957339|17.769911|4.126520|0.116386|3.258850|0.084849|2.728698|2.516903|2.163979|2.035928|2.152262|2.465547|2.734685|4.362673|0.095633|2.543904|2.937807|4.867657|3.269738|5.587300|4.036216|2.574238|2.412387|2.115682|14.215662|2.306283|2.264418|4.345057|3.559100|1.900719|0.221467|0.223127|0.145149|0.124115|0.107649|0.218687|0.500000| |1.665055|3.202713|2.052621|2.203015|2.594683|2.886786|2.571678|2.184641|3.668186|0.107553|4.423137|0.107883|6.553402|8.714566|17.744542|9.024420|5.587557|4.817006|5.496715|5.836988|0.098057|5.996022|4.351746|4.834393|3.050998|5.192231|3.690266|2.356478|2.195221|1.941436|13.188315|2.137804|2.132039|4.130202|3.373657|1.824549|0.045807|0.047120|0.042653|0.056757|0.074795|0.073784|0.056297|0.500000| |1.555486|2.962614|1.861009|1.970848|2.239305|2.424525|2.229273|1.960173|2.848641|0.084398|3.352714|0.083377|4.101013|5.629238|9.043533|17.755882|8.771416|5.587625|4.926201|5.019380|0.089823|3.521140|2.929524|3.569741|2.312535|4.043286|2.823782|1.849071|1.761788|1.586525|10.759993|1.697690|1.689917|3.228984|2.728593|1.489347|0.042251|0.044591|0.040201|0.051442|0.063823|0.063534|0.051216|0.215542|0.500000| |1.708778|3.271034|2.044818|2.166041|2.421709|2.566609|2.373997|2.126651|2.866199|0.084625|3.396079|0.084449|3.684523|4.960880|5.656838|8.801133|17.722559|9.094384|5.699962|5.712712|0.108279|2.975998|2.601496|3.391575|2.211654|3.959045|2.654794|1.742070|1.685567|1.513733|10.124189|1.584094|1.557855|2.955969|2.515023|1.364743|0.045582|0.049576|0.044224|0.056800|0.068503|0.066361|0.055403|0.124042|0.215655|0.500000| |2.137561|4.204598|2.684448|2.908220|3.295927|3.429657|3.085527|2.751365|3.688252|0.106883|4.539910|0.110828|4.298046|5.496971|4.817766|5.522274|8.949153|17.752830|8.752396|9.230750|0.191948|3.230004|2.898551|4.033097|2.616521|4.799029|3.030474|1.963078|1.916332|1.691304|11.093884|1.745631|1.689353|3.200303|2.693769|1.442568|0.055949|0.062327|0.054713|0.075527|0.092869|0.083198|0.069748|0.105251|0.123174|0.216822|0.500000| |1.951184|3.867757|2.551080|2.868379|3.606796|3.992553|3.249814|2.673355|5.545408|0.135603|6.558466|0.185962|9.024319|5.850408|4.758226|3.591670|3.189840|3.395950|4.434439|6.255816|0.105852|17.536715|8.791837|9.266531|6.471476|10.591213|7.228554|4.314475|3.888253|3.169702|20.617466|3.566190|3.336476|6.404585|4.929143|2.498153|0.054555|0.053430|0.049562|0.073233|0.109449|0.089589|0.066414|0.139089|0.087451|0.075229|0.082030|0.500000| |1.830610|3.549939|2.320798|2.512914|3.061117|3.524617|3.046081|2.500259|4.890040|0.136572|5.470508|0.135330|8.898941|6.824521|6.283229|4.363849|3.588420|3.618053|4.602568|5.872128|0.098278|17.597349|8.709644|7.579179|4.609835|7.268763|5.569103|3.361460|2.971159|2.542028|17.374746|2.978361|2.980053|5.934837|4.517697|2.392643|0.051243|0.050961|0.046455|0.063727|0.088521|0.087866|0.063564|0.207377|0.106816|0.083585|0.084773|0.301590|0.500000| |2.069974|3.999619|2.653155|2.821946|3.443478|4.141952|3.655678|2.932412|5.664128|0.150844|4.879353|0.126195|5.610306|4.179740|3.616820|2.906464|2.635909|2.787899|3.455744|4.977004|0.088700|8.803539|17.662319|12.376274|7.301770|9.310880|10.161411|5.194338|3.983245|3.274129|23.220604|4.508620|4.716810|10.417609|6.490180|3.339667|0.059500|0.056707|0.051921|0.070097|0.095984|0.107465|0.074463|0.106061|0.072882|0.063919|0.069376|0.216354|0.208404|0.500000| |2.216435|4.256794|2.870016|2.988525|3.680186|4.775013|4.329798|3.302124|7.178777|0.232476|5.749536|0.131565|6.844814|5.221203|4.377098|3.467276|3.149480|3.362489|4.262340|6.024613|0.104598|8.761565|17.597162|12.508925|5.749556|7.981322|6.952543|3.770477|3.124359|2.623888|18.321307|3.320524|3.469673|7.470185|5.071029|2.718062|0.063191|0.062033|0.054920|0.072577|0.098809|0.135325|0.084081|0.123791|0.084927|0.075026|0.082262|0.173190|0.213730|0.303873|0.500000| |2.330863|4.515763|2.995354|3.155241|3.740650|4.351672|3.958250|3.282241|5.023827|0.124972|3.996260|0.110844|3.884445|3.071815|2.653745|2.261960|2.148814|2.320314|2.790360|4.229231|0.079856|4.783644|6.936431|10.810549|9.412903|10.833256|25.951624|9.428657|5.676530|4.420415|32.084427|7.532018|7.552881|17.079705|8.850094|4.152026|0.068734|0.062155|0.058247|0.078194|0.101837|0.112255|0.083074|0.074979|0.057300|0.053340|0.059980|0.134816|0.113977|0.238614|0.157370|0.500000| |2.262506|4.618271|2.949531|3.446969|3.965934|3.692367|3.104521|2.832468|3.747738|0.086987|3.595784|0.116974|3.227152|2.652257|2.278690|2.002469|1.961324|2.153860|2.544360|3.966150|0.078092|3.503537|3.699971|6.006801|6.538564|14.400094|9.068438|8.606282|17.843789|8.883800|37.620860|5.708921|4.064650|6.608768|5.997517|2.732599|0.064473|0.058415|0.058504|0.093612|0.123484|0.079124|0.069571|0.062833|0.050765|0.049274|0.057091|0.112176|0.083409|0.105555|0.086200|0.138473|0.500000| |1.853330|3.639537|2.211131|2.442262|2.620062|2.497749|2.254008|2.136834|2.519004|0.062230|2.432304|0.074928|2.302632|1.990810|1.791804|1.608631|1.566357|1.676367|1.904938|2.847713|0.056524|2.518465|2.635396|3.926919|3.652686|6.908391|5.612943|5.718346|8.812679|17.780768|55.751346|5.448902|3.877923|5.803549|6.373220|2.828541|0.053289|0.047895|0.049069|0.067820|0.077832|0.059198|0.054631|0.050194|0.041711|0.040096|0.044754|0.078447|0.063660|0.077886|0.064432|0.098936|0.204410|0.500000| |1.572199|2.894108|1.782624|1.806275|1.965464|2.140017|2.098861|1.909266|2.327384|0.063493|2.106209|0.058088|2.194485|1.938601|1.842621|1.638337|1.530407|1.571759|1.762468|2.491856|0.047916|2.597304|3.008915|3.832926|2.921285|4.513811|4.906756|3.741518|3.029010|3.038885|27.827818|4.754252|7.178799|12.697409|16.424799|17.645888|0.046406|0.042445|0.040733|0.047023|0.054078|0.060931|0.051538|0.053960|0.043507|0.039270|0.041026|0.073165|0.071632|0.099813|0.080195|0.114717|0.073038|0.073471|0.500000| |1.712827|3.119752|1.911299|1.903891|2.038518|2.220948|2.230321|2.059467|2.341214|0.063866|2.065018|0.056879|2.089348|1.848163|1.733624|1.555626|1.476227|1.532673|1.714940|2.458713|0.047859|2.402571|2.847621|3.812392|2.915048|4.502070|4.923178|3.749779|3.033263|3.041427|27.851970|4.764864|7.197313|12.726429|16.427108|17.648173|0.051318|0.045954|0.044294|0.049389|0.055200|0.064843|0.056206|0.049919|0.041099|0.037987|0.040389|0.067002|0.064836|0.091428|0.076780|0.116520|0.073158|0.073522|0.299677|0.500000| 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