Version2.1 2020-11-24T09:36:42Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 05-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc2c(c1)ccc(c2C[NH2+]CCNc3ccc(cc3)[N+](=O)[O-])OCc4ccc(cc4)F C16525908 RHF 6-31G(d) (6D,7F) c1ccc2c(c1)ccc(c2C[NH2+]CCNc3ccc(cc3)[N+](=O)[O-])OCc4ccc(cc4)F C01[X(C26H25F1N3O3)] 168 C1 545 Fc1ccc(cc1)COc1ccc2c(c1C[NH2+]CCNc1ccc(cc1)[N+](=O)[O-])cccc2 Fc1ccc(cc1)COc1ccc2c(c1C[NH2+]CCNc1ccc(cc1)[N+](=O)[O-])cccc2 [O-][N+](=O)c1ccc(NCC[NH2+]Cc2c(OCc3ccc(F)cc3)ccc4ccccc24)cc1 InChIKey=BFIDPCULUOTVAW-UHFFFAOYSA-O InChI=1S/C26H24FN3O3/c27-21-8-5-19(6-9-21)18-33-26-14-7-20-3-1-2-4-24(20)25(26)17-28-15-16-29-22-10-12-23(13-11-22)30(31)32/h1-14,28-29H,15-18H2/p+1 InChI=1/C26H24FN3O3/c27-21-8-5-19(6-9-21)18-33-26-14-7-20-3-1-2-4-24(20)25(26)17-28-15-16-29-22-10-12-23(13-11-22)30(31)32/h1-14,28-29H,15-18H2/p+1/fC26H25FN3O3/h28H/q+1 c1ccc2c(c1)ccc(c2C[NH2+]CCNc3ccc(cc3)[N+](=O)[O-])OCc4ccc(cc4)F C01[X(C26H25F1N3O3)] 168 C01 545 Fc1ccc(cc1)COc1ccc2c(c1C[NH2+]CCNc1ccc(cc1)[N+](=O)[O-])cccc2 F[C]1[CH][CH][C]([CH][CH]1)CO[C]1[CH][CH][C]2[C]([C]1C[NH2]CCN[C]1[CH][CH][C]([CH][CH]1)[N]([O])[O])[CH]=[CH][CH]=[CH]2 [O]N([O])[C]1[CH][CH][C]([CH][CH]1)NCC[NH2]C[C]2[C]([CH][CH][C]3C=CC=C[C]23)OC[C]4[CH][CH][C](F)[CH][CH]4 InChIKey=VBDNBGXZTLRHPW-UHFFFAOYSA-N InChI=1S/C26H25FN3O3/c27-21-8-5-19(6-9-21)18-33-26-14-7-20-3-1-2-4-24(20)25(26)17-28-15-16-29-22-10-12-23(13-11-22)30(31)32/h1-14,29H,15-18,28H2 InChI=1/C26H25FN3O3/c27-21-8-5-19(6-9-21)18-33-26-14-7-20-3-1-2-4-24(20)25(26)17-28-15-16-29-22-10-12-23(13-11-22)30(31)32/h1-14,29H,15-18,28H2 3068.9282799348 -1486.1834405 1-A 23620.1407 117 428 545 |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| -26.40801 -20.73324 -20.65753 -20.65673 -15.91361 -15.84447 -15.70197 -11.44604 -11.44302 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1 1 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 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 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 1.00783 1.00783 11357.0406 34477.4460 42896.3074 0.99999 0.00382 -0.00268 -0.00380 0.99996 0.00798 0.00271 -0.00797 0.99996 1 0.00763 0.00251 0.00202 0.15891 0.05235 0.04207 11.07 22.54 23.83 34.93 41.29 44.38 67.59 89.10 93.53 104.63 135.16 153.74 159.74 202.91 212.97 217.58 241.55 278.30 281.78 320.28 386.72 442.58 460.54 466.43 479.65 503.44 536.09 569.97 621.45 658.12 664.31 667.48 672.33 693.66 697.10 717.90 763.46 793.66 805.37 838.89 839.54 848.40 862.44 897.38 913.51 972.17 999.89 1005.82 1060.24 1076.23 1111.77 1112.75 1134.99 1153.40 1208.06 1225.37 1232.63 1237.81 1253.53 1281.80 1306.26 1317.45 1323.95 1337.66 1349.90 1354.38 1369.77 1376.51 1390.03 1391.84 1426.31 1479.40 1537.21 1551.72 1566.28 1573.21 1580.85 1584.62 1592.87 1593.94 1602.06 1602.72 1604.30 1606.93 1634.82 1642.58 1665.46 1710.93 1712.08 1726.51 1753.55 1764.29 1801.49 1809.66 1846.79 1851.51 1859.00 1868.79 1878.15 1894.81 1903.41 1916.44 1923.48 1982.43 1993.74 2013.14 2019.28 2035.75 2058.80 2077.30 2092.93 2101.41 2104.65 2114.01 2141.16 2182.05 2206.47 2214.81 2241.17 2259.91 2273.03 2285.80 2299.53 2305.02 2352.87 2353.82 2364.38 2375.97 2401.24 2410.05 2415.44 2434.56 2449.94 2455.46 2555.83 2564.54 2575.42 2590.68 2596.62 2618.94 2638.77 2641.25 2689.09 4545.87 4679.33 4700.30 4712.03 4743.29 4759.59 4806.43 4839.44 4844.68 4847.31 4851.98 4853.25 4864.92 4868.28 4889.27 4893.85 4899.03 4900.64 4901.37 4920.84 4946.02 4947.35 5221.15 5348.15 5486.41 0.508187 0.535133 0.536077 0.443709 -1485.675253 -1485.648308 -1485.647363 -1485.739731 3.098038D-04 MUNgauss RevisionA2.0 retrievium 24-Nov-2020 DUDE c1ccc2c(c1)ccc(c2C[NH2+]CCNc3ccc(cc3)[N+](=O)[O-])OCc4ccc(cc4)F C16525908 RHF 6-31G(d) (6D,10F) C1 446.187995 |X|Y|Z| 131.663390 72.847302 31.273110 66.939612 29 6 7 8 26 2 1 |36.858105| |13.472764|36.858105| |7.885626|14.012686|36.858105| |6.747272|7.865681|13.384238|36.858105| |7.887600|6.854403|7.850992|13.478784|36.858105| |14.049652|7.965180|6.845623|7.763607|13.412911|36.858105| |5.143101|4.542615|5.114964|7.805562|13.468750|7.733370|36.858105| |3.935792|3.775109|4.483083|6.737183|7.852894|5.125671|14.012594|36.858105| |3.775614|3.928909|5.073111|7.847009|6.835911|4.528192|7.994926|13.519874|36.858105| |4.480418|5.078212|7.559151|13.324504|7.804707|5.083986|6.842301|7.840538|13.867882|36.858105| |3.622245|4.323591|6.251736|7.386519|4.951035|3.786288|4.443671|5.040324|7.750518|12.646697|36.858105| |3.053413|3.526993|4.664264|5.282083|4.000698|3.190615|3.788714|4.392353|6.330681|7.675534|12.595968|53.358707| |2.870197|3.189904|4.081907|4.882070|3.926255|3.088987|3.947587|4.868289|7.251936|7.315501|9.372092|25.604792|0.500000| |3.233391|3.751607|4.932390|5.461470|4.156884|3.352895|3.849872|4.300841|5.825355|7.184890|9.210920|25.692725|0.326444|0.500000| |2.559503|2.958192|3.707224|3.875753|3.090282|2.602494|2.934361|3.303521|4.332396|4.953624|7.507518|17.381730|0.255412|0.255516|36.858105| |2.234229|2.510106|3.006765|3.153502|2.654045|2.283368|2.584378|2.904517|3.605706|3.840340|4.921620|10.436401|0.197740|0.196361|12.482142|36.858105| |1.967930|2.206053|2.575314|2.627905|2.251123|1.984832|2.185003|2.410610|2.894274|3.077154|3.858502|6.957094|0.132452|0.132146|7.934598|13.256240|53.358707| |1.763174|1.948496|2.219103|2.255318|1.981523|1.776136|1.937050|2.114830|2.459330|2.567730|3.050488|5.251807|0.103284|0.104623|5.108455|7.692398|18.534142|36.858105| |1.590050|1.749423|1.964585|1.979156|1.757120|1.593825|1.718314|1.860809|2.131700|2.219008|2.604283|4.238436|0.083639|0.083622|3.985763|5.114130|10.830027|13.621784|36.858105| |1.450418|1.579939|1.747907|1.758413|1.585148|1.453152|1.556281|1.672613|1.880604|1.940835|2.216092|3.535206|0.070519|0.070987|3.143373|3.902812|7.076740|7.904003|13.859702|36.858105| |1.440944|1.559081|1.715529|1.732560|1.574879|1.447707|1.551838|1.663859|1.853687|1.900930|2.131554|3.429377|0.068971|0.070306|2.949497|3.734235|6.229112|6.889752|7.999403|13.735526|36.858105| |1.562152|1.690566|1.871658|1.902926|1.725513|1.576217|1.702570|1.832594|2.050315|2.099416|2.347280|3.885673|0.078450|0.081087|3.310200|4.424689|6.994685|7.916518|6.878446|7.910905|13.824605|36.858105| |1.741647|1.904206|2.146770|2.194121|1.955856|1.761589|1.923221|2.091155|2.391812|2.468096|2.828134|4.893384|0.098056|0.101835|4.351048|6.517358|10.567737|13.691666|7.918308|6.855411|7.979690|13.761298|36.858105| |1.310290|1.405829|1.527760|1.539953|1.417058|1.315275|1.400059|1.490219|1.635496|1.668384|1.837712|2.889876|0.058400|0.059506|2.410766|2.919028|4.618083|4.517173|5.136663|7.768007|13.117433|7.794972|5.129257|53.358707| |1.234849|1.324042|1.433390|1.439985|1.327465|1.236721|1.310568|1.391444|1.522916|1.554700|1.712836|2.650957|0.053480|0.054139|2.212602|2.606216|4.152076|3.899876|4.690113|7.084640|8.410345|5.436250|4.095641|21.735711|73.516695| |1.293266|1.379372|1.491204|1.506621|1.396588|1.300654|1.383587|1.468148|1.597930|1.622918|1.764216|2.772020|0.056286|0.057705|2.261886|2.727807|4.137512|3.900603|4.099604|5.420539|8.405389|7.097312|4.683687|21.720023|15.996808|73.516695| |2.997164|3.158551|3.947972|5.246297|4.600459|3.425659|5.227346|7.834277|14.042776|8.262174|7.207592|9.468728|0.263931|0.162039|4.898717|4.139116|4.438929|2.732246|2.349058|2.050370|2.009900|2.226604|2.629201|2.391149|2.902801|3.034419|73.516695| |2.559756|2.616207|3.100623|3.919702|3.740196|2.936716|4.480113|6.577490|7.812009|5.227571|4.710981|6.454065|0.168931|0.116577|3.813633|3.481356|3.903906|2.486671|2.177861|1.931566|1.901937|2.090698|2.417409|2.289266|2.789679|2.916307|23.689670|36.858105| |2.189280|2.273670|2.667059|3.181969|2.963277|2.428837|3.339039|4.369517|5.202543|4.111762|4.162252|6.116899|0.160138|0.107990|3.967296|3.781971|4.319629|2.750930|2.416657|2.127324|2.076400|2.269753|2.636064|2.480201|3.025188|3.134032|14.352434|12.671831|36.858105| |2.047070|2.144408|2.501716|2.901623|2.673836|2.233643|2.927563|3.656513|4.327482|3.668680|3.895255|5.466915|0.133302|0.094865|3.791094|3.520498|4.229252|2.675990|2.415234|2.113539|2.020598|2.159550|2.488472|2.417270|2.985153|3.020490|10.774855|7.578507|13.693154|36.858105| |1.809264|1.903142|2.189443|2.459650|2.266629|1.941262|2.429130|2.911740|3.364915|3.005381|3.279137|4.750088|0.111591|0.083826|3.534295|3.440957|4.342494|2.799896|2.582369|2.261733|2.136793|2.248968|2.567582|2.554574|3.174584|3.164310|7.776826|5.026254|7.892292|13.775955|36.858105| |1.710821|1.795795|2.051205|2.286874|2.118786|1.829890|2.266983|2.691610|3.068478|2.758350|2.995410|4.557160|0.107639|0.082396|3.449841|3.606206|4.584630|3.051179|2.797036|2.471610|2.360749|2.500729|2.844398|2.813221|3.469529|3.490963|6.979631|4.470723|6.906648|8.018845|13.797503|36.858105| |1.784765|1.862951|2.130827|2.405305|2.243892|1.924930|2.430186|2.923044|3.315361|2.915977|3.095515|4.887276|0.119533|0.090124|3.567760|3.879478|4.697929|3.166082|2.803536|2.498625|2.455766|2.680321|3.073391|2.919719|3.540384|3.676519|7.656459|5.023177|7.887105|6.863149|7.887628|13.816867|36.858105| |2.012514|2.088248|2.416510|2.815085|2.637925|2.209681|2.930685|3.680967|4.226906|3.512044|3.600601|5.678311|0.147421|0.104230|3.832114|3.989327|4.551513|2.986329|2.590943|2.300607|2.280639|2.528113|2.934881|2.715991|3.279578|3.451015|10.472955|7.579766|13.707982|7.954450|6.867149|8.020695|13.749605|36.858105| |1.542808|1.620767|1.829087|1.998953|1.857891|1.632368|1.962395|2.270859|2.546521|2.351571|2.565510|3.881462|0.088343|0.071449|3.035116|3.245020|4.359131|3.011572|2.866610|2.574137|2.432861|2.513997|2.788782|2.924455|3.647654|3.598184|5.527683|3.412179|4.668873|5.322358|8.184680|14.409866|8.186999|5.320987|97.533100| |17.739877|8.821530|5.637395|4.888287|5.611179|8.999141|4.161319|3.287235|3.126099|3.577005|3.020220|3.564499|0.068784|0.076843|2.255071|2.001817|2.434875|1.621489|1.474654|1.355716|1.349494|1.455972|1.607013|1.682342|2.076933|2.173902|4.567250|2.248994|1.952999|1.838326|1.643006|1.560741|1.623699|1.811979|3.193743|0.500000| |8.840882|17.725037|9.037274|5.612828|4.942952|5.672493|3.615928|3.123684|3.278136|4.119584|3.780904|4.328109|0.079275|0.093789|2.777721|2.377850|2.899623|1.894863|1.715867|1.555184|1.531400|1.650460|1.847133|1.885813|2.327389|2.413843|4.888231|2.315580|2.059336|1.964624|1.769822|1.677052|1.729207|1.910234|3.440844|0.213834|0.500000| |5.642742|9.103787|17.750066|8.746772|5.585074|4.941335|4.132422|3.873916|4.592487|6.835039|6.955318|6.967767|0.118090|0.148719|4.214443|3.297392|3.869041|2.411049|2.131136|1.876320|1.825709|1.986419|2.298131|2.196204|2.693304|2.781279|6.781104|2.982203|2.646893|2.520128|2.234260|2.094429|2.157314|2.412459|4.225875|0.124647|0.220833|0.500000| |9.005490|5.643058|4.937950|5.574886|8.848771|17.718570|7.133252|4.730343|3.960785|4.148390|3.193724|3.780863|0.076107|0.080639|2.307957|2.066043|2.465623|1.639413|1.479766|1.359472|1.359307|1.476409|1.635214|1.692370|2.081672|2.193707|5.501974|2.757461|2.284762|2.098942|1.831680|1.733091|1.826284|2.091493|3.490705|0.215891|0.124294|0.107328|0.500000| |4.737691|3.965795|4.165909|5.591028|8.867516|7.135864|17.721930|9.044343|5.668318|4.936405|3.553078|4.272827|0.090984|0.088953|2.526094|2.277111|2.663942|1.761209|1.576079|1.441342|1.442901|1.576882|1.759744|1.787160|2.190147|2.316191|7.477069|3.880627|2.975158|2.630591|2.215995|2.082978|2.231451|2.657452|4.096746|0.112247|0.090298|0.095671|0.218209|0.500000| |3.293526|3.129004|3.580327|4.885597|5.609598|4.163336|9.014389|17.776709|8.799628|5.605731|4.121401|5.165712|0.119739|0.102553|2.979112|2.702794|3.090417|2.018800|1.787253|1.618168|1.615002|1.774773|2.007417|1.979740|2.416953|2.554502|12.497978|7.303804|4.645088|3.787896|2.993592|2.779391|3.050759|3.907466|5.243199|0.079127|0.074028|0.088527|0.112545|0.218044|0.500000| |3.786087|4.818597|7.209124|7.000685|4.622160|3.744476|3.921710|4.146895|5.632535|8.767000|17.711547|12.391341|0.182572|0.219931|6.988050|4.595316|5.141377|2.999835|2.590986|2.205618|2.110118|2.305516|2.759944|2.480696|3.031411|3.101973|9.118006|3.723466|3.391761|3.260820|2.853178|2.634465|2.690436|3.026193|5.214638|0.087918|0.120467|0.264546|0.086664|0.089412|0.095846|0.500000| |3.179738|3.681357|4.956017|5.745704|4.257128|3.341945|4.015644|4.682511|6.988483|8.851991|17.637600|12.485539|0.227375|0.181739|7.036050|4.658369|5.187708|2.994527|2.605634|2.205383|2.091971|2.269566|2.716870|2.457320|3.014778|3.059890|13.179026|5.014567|4.590852|4.554663|3.758748|3.292454|3.288404|3.788140|6.277716|0.075213|0.091310|0.150330|0.080333|0.091357|0.110701|0.302050|0.500000| |2.622413|3.111316|3.888461|3.823205|3.011638|2.595284|2.772634|3.011797|3.828886|4.585925|6.859477|12.371546|0.179968|0.220380|17.637605|8.824138|9.766659|4.849987|3.913096|3.102088|2.888745|3.194716|4.108948|3.232264|3.898707|3.949527|7.212762|3.223320|3.271125|3.180367|2.997216|2.912182|2.972369|3.150913|5.922863|0.064434|0.082911|0.128747|0.063475|0.066707|0.074873|0.209410|0.171972|0.500000| |2.413483|2.759089|3.421262|3.617123|2.929324|2.468675|2.825273|3.220806|4.222622|4.665407|7.044959|12.477642|0.220877|0.180868|17.613572|8.776930|9.663088|4.685391|3.878380|3.046439|2.791916|3.037971|3.867945|3.133988|3.812820|3.808634|8.848314|3.967272|4.296557|4.356191|4.102122|3.855524|3.800220|4.002040|7.573188|0.059336|0.072025|0.106810|0.061264|0.067899|0.081726|0.176925|0.218167|0.300831|0.500000| |2.157764|2.374157|2.824280|3.060412|2.635544|2.246741|2.642345|3.046295|3.770825|3.794099|4.622287|9.590124|0.214444|0.176602|8.815235|17.453295|12.221827|6.581684|4.621848|3.675309|3.591897|4.283983|6.073448|3.881942|4.517238|4.790532|8.111141|3.960500|4.506137|4.043722|3.970213|4.334499|4.906016|5.034438|8.510751|0.053734|0.061803|0.083663|0.057030|0.064895|0.080296|0.114029|0.124785|0.173023|0.209058|0.500000| |2.301217|2.588209|3.072406|3.179085|2.689263|2.336801|2.591042|2.857263|3.472113|3.746967|4.581868|9.524779|0.175301|0.210530|8.925542|17.594116|12.593869|7.075982|4.705274|3.781759|3.796739|4.722689|7.066998|4.064044|4.659388|5.058956|6.774746|3.208233|3.351004|3.053046|2.947274|3.100014|3.405233|3.565693|6.339524|0.057388|0.068344|0.093264|0.058677|0.063646|0.073472|0.122120|0.114493|0.215029|0.173745|0.301562|0.500000| |1.901943|2.126727|2.481073|2.541207|2.182113|1.922330|2.128917|2.360885|2.838914|2.994152|3.787231|6.487898|0.125779|0.117981|7.349068|9.287244|25.978082|9.526567|7.588070|4.929517|4.129985|4.350341|5.879883|4.293054|5.188356|4.975266|5.766720|2.888080|3.268259|3.322303|3.500417|3.644853|3.573525|3.383293|7.896992|0.048078|0.057046|0.076011|0.048842|0.053042|0.062069|0.102441|0.108493|0.182169|0.215741|0.210432|0.181343|0.500000| |1.578918|1.743791|1.961020|1.966890|1.739290|1.578255|1.695944|1.835437|2.109893|2.207395|2.620868|4.162724|0.081589|0.080537|3.973848|4.732365|9.976277|8.881576|17.717915|8.975028|5.674791|4.954970|5.636101|5.670606|7.176660|6.052302|4.135083|2.153903|2.396749|2.450711|2.642319|2.803853|2.727767|2.517218|6.511737|0.040678|0.047638|0.059436|0.040642|0.043162|0.048880|0.072941|0.074102|0.109882|0.111875|0.118098|0.116712|0.226623|0.500000| |1.356500|1.473365|1.618493|1.622434|1.470399|1.356042|1.443834|1.545006|1.724647|1.777839|2.017143|3.145168|0.062784|0.062882|2.756910|3.270851|5.729499|5.626360|8.932680|17.783357|8.926459|5.646761|4.948092|9.757367|14.153038|8.818183|3.326573|1.775599|1.952025|1.962087|2.112000|2.289016|2.277872|2.091234|5.437921|0.035377|0.040440|0.048176|0.035351|0.037310|0.041627|0.055998|0.056172|0.076204|0.075519|0.086266|0.087542|0.115837|0.215507|0.500000| |1.529026|1.641380|1.802213|1.836667|1.683554|1.546071|1.667309|1.786185|1.973049|2.007263|2.199733|3.609993|0.073435|0.076465|2.962002|3.843076|5.653952|5.635370|4.960038|5.645547|8.964836|17.782653|8.909145|9.801846|8.848000|14.215031|3.776346|2.009246|2.157608|2.029146|2.094831|2.331724|2.536180|2.417364|5.247520|0.039730|0.044477|0.052642|0.040429|0.043151|0.048253|0.059867|0.058662|0.079399|0.075242|0.105661|0.116975|0.099403|0.107646|0.124487|0.500000| |1.869134|2.039534|2.312103|2.386503|2.126150|1.901752|2.095559|2.286884|2.622796|2.697481|3.056243|5.460906|0.110377|0.117310|4.650954|7.235872|9.503749|8.839796|5.619342|4.947110|5.689552|9.006615|17.765611|5.689152|6.065959|7.207892|5.115387|2.619935|2.817046|2.587241|2.611283|2.889807|3.220969|3.168955|6.205316|0.047668|0.054525|0.068289|0.048942|0.053053|0.060811|0.081877|0.079912|0.119338|0.110489|0.193110|0.248351|0.146238|0.123527|0.107516|0.217089|0.500000| |2.554797|2.576989|3.011477|3.797762|3.730702|2.954664|4.559769|6.584992|7.034994|4.850505|4.275420|5.465729|0.133440|0.099532|3.325052|2.990400|3.461534|2.221762|1.982508|1.769729|1.733580|1.881373|2.146086|2.105475|2.586249|2.679550|16.504888|17.608813|8.849494|7.058265|4.694077|3.986566|4.206288|5.674887|7.050846|0.062591|0.063303|0.079654|0.077901|0.111819|0.212614|0.096444|0.129814|0.080435|0.097570|0.091716|0.076909|0.071880|0.054983|0.045632|0.050262|0.063760|0.500000| |2.531006|2.537824|2.950165|3.724391|3.705756|2.940654|4.604033|6.760833|6.933826|4.708879|4.090675|5.785559|0.148569|0.110252|3.424875|3.251707|3.646484|2.376193|2.075804|1.865429|1.863493|2.065323|2.365638|2.259183|2.740489|2.905811|16.458765|17.613458|8.891899|5.637116|4.198368|3.999407|4.739771|7.200224|7.069139|0.062122|0.062319|0.077731|0.077984|0.113905|0.231698|0.092559|0.114669|0.081666|0.095610|0.103168|0.085742|0.073651|0.056367|0.047569|0.055852|0.072064|0.300444|0.500000| |2.125033|2.224471|2.596778|3.019698|2.784939|2.322315|3.042874|3.777545|4.449329|3.799039|3.990724|5.229714|0.122952|0.090603|3.583005|3.194475|3.881166|2.447604|2.234002|1.959754|1.865192|1.978593|2.265237|2.245001|2.789150|2.804092|10.531941|7.017161|8.898128|17.706899|8.959512|5.686485|4.946153|5.648831|9.634633|0.052909|0.056469|0.072407|0.060524|0.075772|0.107597|0.093209|0.134316|0.085647|0.115321|0.097921|0.077856|0.084874|0.063603|0.050923|0.051705|0.065152|0.210490|0.142642|0.500000| 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