Version2.1 2020-12-26T08:26:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 20-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c2cc(sc2n(n1)Cc3ccc(cc3)F)C(=O)NC[C@@H](c4cccc(c4)OC)[NH+](C)C C17794921 RHF 6-31G(d) (6D,7F) Cc1c2cc(sc2n(n1)Cc3ccc(cc3)F)C(=O)NC[C@@H](c4cccc(c4)OC)[NH+](C)C C01[X(C25H28F1N4O2S1)] 177 C1 555 COc1cccc(c1)[C@@H]([NH+](C)C)CNC(=O)c1sc2c(c1)c(nn2Cc1ccc(cc1)F)C COc1cccc(c1)[C@@H]([NH+](C)C)CNC(=O)c1sc2c(c1)c(nn2Cc1ccc(cc1)F)C COc1cccc(c1)[C@H](CNC(=O)c2sc3n(Cc4ccc(F)cc4)nc(C)c3c2)[NH+](C)C InChIKey=SIGOWWKBHIXNLS-QFIPXVFZSA-O InChI=1S/C25H27FN4O2S/c1-16-21-13-23(33-25(21)30(28-16)15-17-8-10-19(26)11-9-17)24(31)27-14-22(29(2)3)18-6-5-7-20(12-18)32-4/h5-13,22H,14-15H2,1-4H3,(H,27,31)/p+1/t22-/m0/s1 InChI=1/C25H27FN4O2S/c1-16-21-13-23(33-25(21)30(28-16)15-17-8-10-19(26)11-9-17)24(31)27-14-22(29(2)3)18-6-5-7-20(12-18)32-4/h5-13,22H,14-15H2,1-4H3,(H,27,31)/p+1/t22-/m0/s1/fC25H28FN4O2S/h27,29H/q+1 Cc1c2cc(sc2n(n1)Cc3ccc(cc3)F)C(=O)NC[C@@H](c4cccc(c4)OC)[NH+](C)C C01[X(C25H28F1N4O2S1)] 177 C01 555 COc1cccc(c1)[C@@H]([NH+](C)C)CNC(=O)c1sc2c(c1)c(nn2Cc1ccc(cc1)F)C CO[C]1[CH][CH][CH][C]([CH]1)[C@@H]([NH](C)C)CNC(=O)C1=[CH][C]2[C](S1)[N]([N][C]2C)C[C]1[CH][CH][C]([CH][CH]1)F CO[C]1[CH][CH][CH][C]([CH]1)[C@H](CNC(=O)C2=C[C]3[C](C)[N]N(C[C]4[CH][CH][C](F)[CH][CH]4)[C]3S2)[NH](C)C InChIKey=RERLMRSWDSBIFZ-QFIPXVFZSA-N InChI=1S/C25H28FN4O2S/c1-16-21-13-23(33-25(21)30(28-16)15-17-8-10-19(26)11-9-17)24(31)27-14-22(29(2)3)18-6-5-7-20(12-18)32-4/h5-13,22,29H,14-15H2,1-4H3,(H,27,31)/t22-/m0/s1 InChI=1/C25H28FN4O2S/c1-16-21-13-23(33-25(21)30(28-16)15-17-8-10-19(26)11-9-17)24(31)27-14-22(29(2)3)18-6-5-7-20(12-18)32-4/h5-13,22,29H,14-15H2,1-4H3,(H,27,31)/t22-/m0/s1/f/h27H 3481.0486065220 -1827.2485933 1-A 19448.0329 123 432 555 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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 12862.5916 24535.6428 33143.4450 0.99998 -0.00549 -0.00302 0.00549 0.99998 0.00106 0.00302 -0.00108 0.99999 1 0.00673 0.00353 0.00261 0.14031 0.07356 0.05445 7.08 10.21 11.87 32.09 41.49 50.43 63.82 76.36 101.04 114.74 127.15 146.58 156.97 172.58 205.26 222.14 234.30 275.79 298.08 307.40 332.52 349.33 356.16 374.85 397.16 406.45 424.10 429.02 451.32 485.82 493.97 510.70 529.98 548.91 582.91 590.36 628.57 657.95 671.90 688.65 705.75 733.74 743.44 763.65 776.94 790.60 806.36 845.41 885.11 894.32 954.32 991.82 1005.14 1009.95 1021.41 1065.33 1096.52 1123.36 1131.71 1141.05 1155.98 1206.50 1219.55 1242.43 1265.10 1325.47 1346.02 1347.87 1365.64 1370.10 1409.48 1435.53 1441.69 1463.35 1500.54 1514.93 1534.90 1549.66 1552.56 1558.66 1587.79 1603.25 1604.61 1612.82 1631.33 1654.35 1684.01 1688.79 1699.73 1707.11 1709.80 1742.14 1780.91 1785.28 1835.42 1844.05 1851.17 1852.89 1858.91 1865.14 1869.30 1892.70 1901.72 1928.47 1943.54 1960.37 1983.15 2003.42 2030.26 2042.34 2061.63 2090.22 2099.51 2101.29 2149.92 2174.30 2181.23 2236.08 2243.35 2249.83 2258.79 2277.36 2280.61 2293.28 2294.76 2325.50 2338.19 2338.52 2340.15 2340.81 2351.79 2358.01 2361.22 2363.06 2370.02 2375.17 2379.52 2382.26 2401.83 2406.05 2443.30 2448.69 2449.50 2530.88 2566.78 2581.24 2602.44 2622.49 2712.36 4624.45 4637.96 4663.30 4701.58 4702.28 4710.17 4722.48 4740.13 4772.30 4776.30 4802.55 4803.58 4825.61 4826.76 4836.20 4842.68 4849.68 4854.33 4871.36 4872.19 4874.29 4886.07 4896.38 4896.97 4919.77 4934.16 5342.07 5605.75 0.538652 0.568498 0.569442 0.470355 -1826.709941 -1826.680096 -1826.679151 -1826.778238 3.323394D-04 MUNgauss RevisionA2.0 retrievium 26-Dec-2020 DUDE Cc1c2cc(sc2n(n1)Cc3ccc(cc3)F)C(=O)NC[C@@H](c4cccc(c4)OC)[NH+](C)C C17794921 RHF 6-31G(d) (6D,10F) C1 467.191701 |X|Y|Z| 76.728877 110.437733 36.932395 67.893459 25 6 7 16 21 3 1 |36.858105| |12.727639|36.858105| |7.220733|13.341642|36.858105| |5.390501|7.023449|13.375812|36.858105| |3.982481|5.103807|8.261108|14.086308|36.858105| |3.655782|4.982461|7.315512|7.272226|10.714295|388.023441| |5.179539|8.629119|13.857224|8.204799|7.763037|78.521588|36.858105| |5.317000|8.867833|8.670210|5.474783|5.038393|47.529474|14.333573|53.358707| |7.808369|14.694761|8.553328|5.218609|4.351625|34.607351|8.673814|19.107293|53.358707| |3.921264|5.413691|5.255746|3.949582|3.901232|38.295107|7.551714|17.848634|10.648055|36.858105| |3.241561|4.226418|4.355005|3.540228|3.671419|37.075922|6.046751|10.478009|7.292827|12.583645|36.858105| |3.229494|4.074691|4.102465|3.387983|3.436641|31.902364|5.213816|8.513276|6.776146|7.548989|13.671186|36.858105| |2.674713|3.216503|3.312666|2.908581|3.024830|27.149981|4.003889|5.960163|5.016252|5.015204|7.894257|13.802035|36.858105| |2.338524|2.788244|2.937426|2.656271|2.849859|26.104093|3.576171|5.155557|4.280374|4.459129|6.906270|8.019794|13.784819|36.858105| |2.332437|2.819591|3.008561|2.714620|2.965180|28.524029|3.785248|5.464686|4.373581|5.006992|7.887084|6.866809|7.897773|13.860879|36.858105| |2.679955|3.354959|3.572737|3.098207|3.355546|34.258951|4.771700|7.258274|5.416346|7.554281|13.746673|7.962666|6.875219|8.025688|13.721743|36.858105| |2.041979|2.367636|2.491746|2.317232|2.489255|21.737784|2.917519|4.103785|3.539415|3.401784|4.662015|5.316795|8.167854|14.346164|8.176683|5.312240|97.533100| |3.168378|3.725016|5.138309|7.678616|12.987684|47.254613|4.881806|4.956572|4.443006|3.042342|2.961083|2.820157|2.597094|2.509471|2.597794|2.824175|5.095625|36.858105| |3.071943|3.423539|4.475751|6.666831|8.115240|34.005360|3.998968|4.268962|4.004472|2.636012|2.542049|2.459510|2.280471|2.190230|2.240811|2.412619|4.510023|15.742045|73.516695| |2.648533|3.098581|4.035558|5.174611|7.849381|43.525120|4.169695|4.428686|3.880037|2.865161|2.890114|2.734087|2.590649|2.583831|2.706087|2.872488|5.319439|13.973981|15.210386|53.358707| |2.260871|2.547136|3.146016|3.893438|5.078444|29.839713|3.178320|3.558255|3.207549|2.359610|2.388055|2.287098|2.210863|2.226150|2.313890|2.402499|4.700738|7.889761|12.679835|18.042173|36.858105| |2.154736|2.379818|2.876305|3.522265|4.303199|25.281067|2.848633|3.251033|2.985188|2.157465|2.215375|2.186386|2.149825|2.142513|2.166416|2.204960|4.600867|6.144678|11.049789|10.643398|12.334342|36.858105| |2.360042|2.591131|3.162246|4.000697|4.787815|26.293482|3.039448|3.431620|3.188992|2.231922|2.273218|2.267676|2.208257|2.158902|2.159751|2.217019|4.600557|7.006924|13.741103|10.190090|8.940594|17.677830|0.500000| |2.015006|2.239989|2.663826|3.113710|3.766800|24.189597|2.718622|3.160263|2.871274|2.142261|2.266447|2.268025|2.291309|2.315195|2.311741|2.288646|5.066691|4.775775|7.947908|8.360201|7.491967|12.572505|0.246596|36.858105| |1.795121|1.991245|2.324601|2.634821|3.145936|21.384884|2.416382|2.869187|2.597076|1.992227|2.123084|2.104972|2.153720|2.228787|2.249884|2.194399|4.957547|3.804038|6.292963|6.688411|6.056998|7.513018|0.154730|13.636618|36.858105| |1.683571|1.865085|2.140730|2.358915|2.758082|19.527841|2.251614|2.727143|2.466648|1.926350|2.092430|2.099552|2.199514|2.307768|2.299898|2.185917|5.262717|3.152608|5.185903|5.273774|4.313734|5.020394|0.116510|7.950005|13.808011|36.858105| |1.732941|1.920102|2.190274|2.385613|2.749632|19.637062|2.305187|2.810598|2.547092|1.985678|2.191428|2.251217|2.403540|2.503424|2.424757|2.268650|5.795589|3.046075|4.996922|4.888440|3.743657|4.431022|0.110824|6.841924|7.895511|13.713597|36.858105| |1.927626|2.139801|2.466548|2.722522|3.135132|21.751421|2.563565|3.083296|2.804319|2.135181|2.351780|2.455511|2.601364|2.630598|2.505665|2.375572|5.979221|3.479750|5.709228|5.439300|4.018039|5.021279|0.133235|7.892465|6.834657|7.945855|13.739032|36.858105| |2.103008|2.339295|2.764771|3.182263|3.755347|24.440622|2.817697|3.294533|3.002345|2.225732|2.394441|2.462988|2.524340|2.512310|2.438544|2.384584|5.534241|4.446371|7.343663|7.073484|5.346194|7.629104|0.205508|13.814398|7.932685|6.908759|7.922111|13.627367|36.858105| |1.964081|2.167122|2.456587|2.655414|2.960400|20.714071|2.540018|3.103646|2.850699|2.150623|2.393699|2.576091|2.777631|2.748928|2.532720|2.378784|6.323786|3.142293|5.199775|4.646308|3.300613|3.965544|0.111777|5.309522|4.625911|5.214416|7.888211|14.276186|8.246232|73.516695| |1.784331|1.957002|2.168458|2.281786|2.501653|18.068772|2.264996|2.840712|2.617742|2.013102|2.269529|2.466696|2.739402|2.753120|2.491367|2.282094|6.589968|2.591298|4.300038|3.807964|2.712595|3.115569|0.086449|3.977029|3.780288|4.501284|6.695012|8.003973|5.254516|24.041010|36.858105| |1.906778|2.053855|2.407506|2.882509|3.320750|19.915049|2.354080|2.758232|2.581311|1.849328|1.882602|1.860947|1.835404|1.831543|1.849826|1.876752|3.976029|4.410507|8.575977|6.868606|7.449742|12.433210|0.255391|7.633784|6.163019|4.364042|3.772523|4.039540|5.388002|5.882243|2.713676|53.358707| |1.766100|1.907077|2.215945|2.596695|2.998574|18.707767|2.201520|2.606308|2.426558|1.771938|1.813843|1.784644|1.772673|1.789839|1.817454|1.830753|3.913386|3.853263|7.173523|6.218662|6.749752|9.183728|0.182573|7.235164|6.969546|4.775710|3.887777|3.928093|4.941644|5.627100|2.654586|25.737000|0.500000| |1.929888|2.051478|2.393320|2.896658|3.254019|18.991534|2.294960|2.692628|2.551651|1.792230|1.787957|1.751774|1.703212|1.689693|1.719287|1.770081|3.637034|4.329581|9.086085|6.255644|6.448940|7.510214|0.192257|4.946658|4.268824|3.289361|2.924903|3.114224|3.929599|4.773462|2.265742|17.290609|0.258460|36.858105| |1.813933|1.924490|2.213392|2.605178|2.891474|17.552656|2.144858|2.551716|2.419096|1.714542|1.755455|1.765432|1.756891|1.739039|1.727873|1.736896|3.814061|3.618179|7.066805|5.303089|4.915907|7.627478|0.202077|6.431059|5.225546|4.104622|3.765185|4.138815|5.350874|6.201716|2.851921|17.322747|0.260669|7.780343|36.858105| |17.556916|8.908026|6.405833|5.292792|3.899298|24.561689|4.623799|6.192486|8.222404|3.476275|2.883196|2.810110|2.374471|2.124215|2.145813|2.456238|4.213686|3.176902|5.599490|3.581558|2.269949|2.143396|0.065129|1.972773|1.761348|1.638374|1.668586|1.844367|2.028038|3.302682|1.683776|2.608971|0.049262|1.972507|1.812548|0.500000| |17.617614|8.972768|5.465923|4.195080|3.323004|22.786825|4.435045|6.702487|10.193784|3.862313|3.168847|3.175469|2.624699|2.285400|2.272851|2.609249|4.495680|2.713457|4.662926|3.179090|2.020668|1.932068|0.058128|1.829375|1.649578|1.562175|1.611344|1.777220|1.910933|3.235808|1.676397|2.348562|0.044750|1.740594|1.650109|0.300665|0.500000| |17.554439|8.903486|6.396337|5.277258|3.891912|24.537266|4.622841|6.196792|8.228949|3.464932|3.016427|3.109369|2.634195|2.286605|2.239819|2.516689|4.544547|3.172784|5.569766|3.591816|2.270723|2.210952|0.068163|2.070229|1.826281|1.714225|1.778554|2.000512|2.188397|3.661098|1.861740|2.667255|0.050076|1.975190|1.888618|0.301727|0.300612|0.500000| |5.298166|5.936397|8.543147|17.764178|8.974622|37.136110|5.693001|5.879583|5.966635|3.282059|2.975822|2.904837|2.551195|2.337466|2.364186|2.642207|4.677286|6.955042|12.852549|6.354629|3.750337|3.498111|0.113288|3.012569|2.531666|2.252654|2.272068|2.598815|3.065876|4.515071|2.178477|4.007406|0.072631|3.035308|2.693671|0.152429|0.113299|0.151804|0.500000| |3.961667|5.169477|4.568078|3.465245|3.313097|29.813083|5.758527|12.820266|10.721706|17.643704|8.836340|6.699117|4.594817|3.998273|4.304241|5.904227|7.062876|2.655958|4.196172|3.389089|2.097491|1.943103|0.055991|1.928054|1.798979|1.748017|1.806762|1.938432|2.008385|3.501608|1.862181|2.301146|0.045022|1.647213|1.582903|0.096444|0.113963|0.096281|0.082691|0.500000| |3.520774|4.685329|4.725363|3.726137|3.782294|37.622090|6.621248|12.474826|8.408288|17.573043|8.880663|5.580910|4.179837|4.003330|4.774260|7.316870|7.069001|3.003391|4.614974|3.905807|2.374099|2.129877|0.060514|2.100950|1.975938|1.901413|1.931563|2.049032|2.142902|3.613109|1.903169|2.496983|0.049127|1.789353|1.683572|0.090259|0.095854|0.085931|0.086604|0.302765|0.500000| |3.693457|4.646255|4.421567|3.538878|3.430589|29.947766|5.307445|8.994507|7.868873|7.012234|8.901103|17.712708|8.959148|5.684453|4.948432|5.656320|9.623670|2.788217|4.392372|3.583172|2.211265|2.135319|0.062369|2.188313|2.007257|1.987789|2.134848|2.357450|2.389620|4.441993|2.376371|2.488887|0.048355|1.733572|1.748626|0.086521|0.102069|0.099608|0.085048|0.189769|0.140642|0.500000| |2.561390|2.989391|3.040082|2.713712|2.781939|23.669165|3.503758|5.121039|4.542755|4.078629|5.611095|8.866344|17.743224|8.950119|5.645344|4.955499|16.725807|2.431811|3.857947|3.286130|2.091955|2.074837|0.059548|2.225616|2.084876|2.147051|2.382957|2.601447|2.490922|5.073884|2.866308|2.430139|0.047803|1.651482|1.733064|0.063001|0.070117|0.071428|0.067378|0.107801|0.095905|0.213919|0.500000| |2.086404|2.476946|2.652882|2.451492|2.703117|25.336066|3.255344|4.590562|3.767727|4.074250|5.610797|4.951134|5.640853|8.969323|17.744218|8.838189|16.708659|2.434138|3.754399|3.520195|2.253135|2.101955|0.057443|2.259378|2.245946|2.319677|2.419600|2.439683|2.351204|4.323906|2.419500|2.462874|0.049871|1.678050|1.685235|0.054038|0.056470|0.055753|0.060016|0.099503|0.113172|0.107487|0.124606|0.500000| |2.574966|3.202018|3.428255|3.008691|3.287179|33.607554|4.546301|6.790672|5.117335|6.997815|8.915460|5.650413|4.952353|5.693083|8.947548|17.706569|9.623767|2.792966|4.242296|3.896163|2.406020|2.165709|0.059972|2.221207|2.150995|2.123548|2.161762|2.235286|2.265725|3.911966|2.102266|2.524878|0.050520|1.764929|1.699745|0.066768|0.069588|0.066393|0.071485|0.152983|0.225090|0.124145|0.107555|0.213898|0.500000| |2.596561|3.098711|4.011689|4.812269|7.284109|50.627494|4.417194|4.702973|3.991808|3.110501|3.217954|3.003847|2.866182|2.911782|3.095786|3.272448|5.951362|9.222257|10.842191|26.090055|9.033863|6.262511|0.161911|5.827902|4.965858|4.079817|3.808367|4.160631|5.131729|6.304434|2.940798|5.821103|0.112268|3.811596|3.443847|0.070684|0.064295|0.071263|0.115865|0.073846|0.086924|0.078593|0.073106|0.082401|0.090619|0.500000| |2.064354|2.328490|2.820241|3.338387|4.266129|27.582723|2.928069|3.347935|2.992915|2.276057|2.329400|2.212745|2.163593|2.221729|2.335662|2.397755|4.732736|5.803067|9.150496|12.596092|17.620033|8.745090|0.174766|7.071349|6.847904|4.763792|3.898116|3.939412|4.919746|5.653257|2.675151|8.713021|0.184743|5.431996|4.387193|0.057412|0.051903|0.057167|0.088071|0.056194|0.064287|0.058693|0.056626|0.064215|0.067343|0.229752|0.500000| |2.256747|2.505043|3.068431|3.840266|4.803571|27.225059|3.023791|3.407679|3.122027|2.246587|2.226022|2.120456|2.028180|2.029436|2.116367|2.222665|4.274240|7.414002|13.736013|12.711618|17.694496|8.734549|0.206811|5.496873|4.701103|3.541118|3.119101|3.320517|4.240328|5.025162|2.373101|9.648480|0.175468|7.644764|4.665509|0.063989|0.055891|0.062715|0.105946|0.055947|0.063218|0.057457|0.053382|0.057223|0.062373|0.184813|0.302179|0.500000| |1.719827|1.900533|2.210596|2.505144|2.982973|20.257576|2.294548|2.734088|2.480498|1.905656|2.006519|1.962826|1.990454|2.068814|2.119349|2.085707|4.582141|3.635912|6.090876|6.431590|6.256315|6.884164|0.139086|8.800772|17.682562|8.967502|5.636963|4.930059|5.624927|6.518945|3.126917|8.623676|0.223294|4.539682|4.969301|0.047274|0.043979|0.048273|0.067153|0.047897|0.053088|0.051987|0.053209|0.059216|0.057587|0.130579|0.218375|0.139723|0.500000| |1.555116|1.716000|1.947750|2.119392|2.451316|17.634321|2.057023|2.523510|2.286610|1.804616|1.958752|1.952929|2.053040|2.180405|2.190738|2.069442|5.022053|2.757511|4.561269|4.548818|3.714497|4.087059|0.096249|5.649632|8.951531|17.727556|8.948093|5.659417|4.971354|7.468926|3.901113|5.107660|0.116918|2.952530|3.528105|0.042149|0.040345|0.043764|0.056258|0.045703|0.049829|0.051174|0.055579|0.062279|0.056295|0.098172|0.116797|0.087572|0.217065|0.500000| |1.625355|1.793301|2.014877|2.154430|2.441906|17.780552|2.130412|2.642737|2.402407|1.892572|2.107037|2.180250|2.368047|2.492784|2.389457|2.196671|5.917635|2.635863|4.342269|4.130765|3.111983|3.546817|0.090773|4.940334|5.645469|8.941831|17.772209|8.872827|5.626112|12.475956|7.396062|4.261395|0.089902|2.520177|3.165391|0.043348|0.042330|0.046280|0.056973|0.048164|0.051083|0.057235|0.065803|0.066851|0.057937|0.089867|0.090304|0.074005|0.124573|0.217240|0.500000| |2.304579|2.553123|3.038233|3.559995|4.116429|25.546155|3.020261|3.497444|3.223355|2.314350|2.466590|2.569394|2.598179|2.518891|2.419588|2.398593|5.474901|4.827249|8.147451|7.048290|5.024644|7.031859|0.226691|8.879533|5.625119|4.971844|5.662534|8.969323|17.727661|13.625805|4.892401|6.857593|0.122012|3.886014|5.178902|0.061432|0.057628|0.067560|0.096499|0.058161|0.061178|0.070433|0.071747|0.063770|0.062838|0.137138|0.121615|0.115012|0.123234|0.107859|0.124257|0.500000| |1.771915|1.964142|2.176230|2.261344|2.503290|18.692492|2.318739|2.926454|2.661832|2.107155|2.419276|2.623581|2.980451|3.081337|2.771530|2.478328|7.566525|2.560097|4.176374|3.814167|2.682646|2.979210|0.081373|3.793453|3.736626|4.566345|6.696740|7.048231|4.772849|16.420760|17.583879|3.499217|0.070664|2.164996|2.622931|0.046364|0.046426|0.050869|0.059191|0.053880|0.055476|0.068888|0.086043|0.075514|0.063114|0.083737|0.074737|0.064935|0.086731|0.112693|0.221079|0.120717|0.500000| |1.634871|1.775070|1.955246|2.065896|2.254494|16.110913|2.027262|2.552358|2.369539|1.813597|2.018942|2.166516|2.380405|2.409870|2.215605|2.040780|5.779984|2.367204|3.987000|3.490101|2.555494|2.961075|0.081085|3.772491|3.717766|4.551967|6.689814|7.013252|4.745909|16.416380|17.580978|3.631452|0.073443|2.220007|2.858384|0.043176|0.042786|0.047313|0.055334|0.046871|0.048023|0.058155|0.068805|0.060471|0.052851|0.074019|0.070642|0.062670|0.086225|0.112460|0.222626|0.120029|0.298308|0.500000| |1.814831|1.976134|2.161136|2.247832|2.414202|17.390397|2.240525|2.841196|2.646127|2.009985|2.267194|2.514714|2.810552|2.757359|2.444778|2.244136|6.612586|2.453792|4.101551|3.511431|2.469249|2.806571|0.079641|3.416225|3.182208|3.614417|4.893937|5.894492|4.429328|16.978105|17.672889|3.358395|0.066335|2.105088|2.610833|0.047253|0.047561|0.052985|0.059840|0.052092|0.052272|0.068171|0.083758|0.065158|0.056944|0.074763|0.066846|0.060908|0.075012|0.088857|0.145000|0.122338|0.299914|0.299966|0.500000| 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|1.778819|1.865999|2.136795|2.535400|2.773662|16.537018|2.044140|2.435406|2.329557|1.631707|1.628251|1.603513|1.565668|1.552234|1.572399|1.611449|3.362977|3.509334|7.253717|4.970993|4.751268|5.543909|0.146778|4.143979|3.721709|2.985493|2.679887|2.822001|3.436738|4.396407|2.120122|12.303461|0.213446|17.659670|7.594188|0.050565|0.044888|0.050737|0.074256|0.042004|0.045196|0.044219|0.042416|0.042734|0.044592|0.087316|0.118031|0.149135|0.109762|0.075754|0.065166|0.094571|0.055978|0.058427|0.055017|0.298292|0.500000| 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