Version2.0 2020-01-15T09:38:09Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 08-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1c(sc2c1c(nc(n2)n3c(cc(n3)C)C)N(Nc4ccc(cc4)C)Nc5ccc(cc5)C)C C34787403 RHF 6-31G(d) (6D,7F) CCc1c(sc2c1c(nc(n2)n3c(cc(n3)C)C)N(Nc4ccc(cc4)C)Nc5ccc(cc5)C)C C01[X(C28H31N7S1)] 195 C1 606 CCc1c(C)sc2c1c(nc(n2)n1nc(cc1C)C)N(Nc1ccc(cc1)C)Nc1ccc(cc1)C CCc1c(C)sc2c1c(nc(n2)n1nc(cc1C)C)N(Nc1ccc(cc1)C)Nc1ccc(cc1)C CCc1c(C)sc2nc(nc(N(Nc3ccc(C)cc3)Nc4ccc(C)cc4)c12)n5nc(C)cc5C InChIKey=QLLXLXSRWUBEPN-UHFFFAOYSA-N InChI=1S/C28H31N7S/c1-7-24-21(6)36-27-25(24)26(29-28(30-27)34-20(5)16-19(4)31-34)35(32-22-12-8-17(2)9-13-22)33-23-14-10-18(3)11-15-23/h8-16,32-33H,7H2,1-6H3 InChI=1/C28H31N7S/c1-7-24-21(6)36-27-25(24)26(29-28(30-27)34-20(5)16-19(4)31-34)35(32-22-12-8-17(2)9-13-22)33-23-14-10-18(3)11-15-23/h8-16,32-33H,7H2,1-6H3 CCc1c(sc2c1c(nc(n2)n3c(cc(n3)C)C)N(Nc4ccc(cc4)C)Nc5ccc(cc5)C)C C01[X(C28H31N7S1)] 195 C01 606 CCc1c(C)sc2c1c(nc(n2)n1nc(cc1C)C)N(Nc1ccc(cc1)C)Nc1ccc(cc1)C CCc1c(C)sc2c1c(nc(n2)N1N[C@H](C=C1C)C)N(Nc1ccc(cc1)C)Nc1ccc(cc1)C CCc1c(C)sc2nc(nc(N(Nc3ccc(C)cc3)Nc4ccc(C)cc4)c12)N5N[C@@H](C)C=C5C InChIKey=LLZQGIOLZMZEIX-IBGZPJMESA-N InChI=1S/C28H33N7S/c1-7-24-21(6)36-27-25(24)26(29-28(30-27)34-20(5)16-19(4)31-34)35(32-22-12-8-17(2)9-13-22)33-23-14-10-18(3)11-15-23/h8-16,19,31-33H,7H2,1-6H3/t19-/m0/s1 InChI=1/C28H33N7S/c1-7-24-21(6)36-27-25(24)26(29-28(30-27)34-20(5)16-19(4)31-34)35(32-22-12-8-17(2)9-13-22)33-23-14-10-18(3)11-15-23/h8-16,19,31-33H,7H2,1-6H3/t19-/m0/s1 4061.0699917854 -1856.9543632 1-A 18455.1424 132 474 606 |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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.96672 -15.64215 -15.63994 -15.60379 -15.58524 -15.57397 -15.56795 -15.56230 -11.36287 -11.34473 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4615.90 4617.91 4639.93 4652.77 4673.92 4676.61 4687.66 4691.80 4692.16 4713.76 4713.98 4754.46 4755.97 4757.57 4764.02 4767.46 4772.95 4805.44 4813.77 4826.26 4831.57 4836.30 4859.30 4862.60 4905.87 4943.29 5451.79 5495.73 0.589945 0.622673 0.623617 0.519536 -1856.364418 -1856.331690 -1856.330746 -1856.434827 3.490894D-04 MUNgauss RevisionA2.0 retrievium 15-Jan-2020 DUDE CCc1c(sc2c1c(nc(n2)n3c(cc(n3)C)C)N(Nc4ccc(cc4)C)Nc5ccc(cc5)C)C C34787403 RHF 6-31G(d) (6D,10F) C1 497.236166 |X|Y|Z| 73.514912 76.169826 85.140203 78.120383 29 6 7 16 21 7 1 |36.858105| |12.426781|36.858105| |7.449403|12.568389|36.858105| |5.801049|7.598145|14.178216|36.858105| |3.919837|4.689562|7.320849|10.847347|388.023441| |4.003873|4.983943|8.033089|7.670087|78.327367|36.858105| |5.223549|7.164473|12.968006|8.189418|52.220080|13.694560|36.858105| |4.449487|5.644217|7.141584|5.121130|34.845194|8.173956|13.480536|36.858105| |3.420670|4.087117|5.012178|4.098148|31.113966|7.250462|8.032277|14.548100|53.358707| |3.052120|3.594995|4.609297|4.118114|35.298667|8.623559|7.075134|8.382489|19.629101|36.858105| |3.189044|3.780417|5.216370|5.035145|50.710343|14.370357|7.849086|6.974993|11.094929|14.612209|53.358707| |2.503571|2.853782|3.448567|3.197166|27.207067|5.453934|4.662692|5.411918|11.235509|13.667678|11.227987|53.358707| |2.196742|2.466152|2.954747|2.866366|25.207267|4.541645|3.745151|4.001440|7.144668|7.615596|9.020343|18.882420|36.858105| |1.949890|2.156027|2.493968|2.400609|20.165970|3.486262|3.059195|3.350270|5.846757|5.373257|6.229787|11.914153|14.067463|36.858105| |2.017658|2.229796|2.533367|2.366461|19.111818|3.402639|3.144563|3.648074|6.626587|5.552942|5.867085|12.256764|8.603385|13.384864|36.858105| |2.326584|2.609902|3.005442|2.732391|21.901582|4.157513|3.908444|4.817723|9.797815|8.026491|7.319549|19.114540|8.451750|8.515696|14.769059|53.358707| |1.811153|1.972140|2.174724|2.027091|15.879237|2.727595|2.610444|3.024996|5.174319|3.984346|4.424012|7.292173|5.182333|7.264689|12.722820|10.665089|36.858105| |2.160468|2.420896|2.951160|3.002350|28.117021|4.651907|3.608730|3.560410|5.816781|6.038985|9.067451|10.103976|12.718596|7.446494|5.170712|7.005599|3.732585|36.858105| |4.712537|5.740256|5.867244|4.212326|26.681117|5.199299|7.669347|13.587493|11.335686|5.415610|6.282443|5.650657|3.219981|2.853748|3.191445|5.538314|2.798517|2.860052|53.358707| |5.846022|6.179084|5.706066|4.127462|24.950893|4.473754|6.360967|8.082292|7.714739|4.248763|5.276124|4.628829|2.761451|2.477552|2.722424|4.531152|2.439994|2.518969|18.711295|53.358707| |4.587407|4.406618|4.283305|3.398077|21.742518|3.799966|4.813612|5.929997|6.698374|3.859796|4.738189|4.420411|2.667743|2.442377|2.712488|4.453016|2.475457|2.409479|10.706427|18.283997|36.858105| |4.329768|3.846270|3.546844|2.931780|18.529578|3.046163|3.699331|4.196311|4.929919|3.014303|3.811465|3.581641|2.240527|2.086268|2.290822|3.628526|2.142444|2.058472|7.156737|10.773932|13.689469|36.858105| |3.421146|3.053850|2.911622|2.512272|16.409906|2.646700|3.055950|3.405230|4.231999|2.683490|3.403536|3.294948|2.100340|1.986405|2.178284|3.376821|2.070934|1.931051|5.405619|7.042012|7.910351|13.804048|36.858105| |2.972896|2.747031|2.739456|2.405408|16.311757|2.662977|2.977091|3.356520|4.368146|2.814184|3.525524|3.529388|2.252598|2.149387|2.373349|3.661649|2.265785|2.047795|5.077520|6.129187|6.767057|7.881316|13.692155|36.858105| |3.064809|2.941624|3.049464|2.650148|18.411319|3.131597|3.486028|4.088941|5.481507|3.472879|4.228393|4.330206|2.690356|2.546604|2.854885|4.522135|2.672951|2.393846|6.016786|6.964245|7.933453|6.938280|8.036110|13.752182|36.858105| |3.667741|3.632198|3.812973|3.164054|21.627666|3.877869|4.566887|5.764592|7.371255|4.318770|5.120691|5.072198|3.015622|2.775836|3.132557|5.206470|2.838507|2.658443|8.817327|10.505110|13.752796|7.977474|6.904211|7.853243|13.728005|36.858105| |2.449954|2.269204|2.271476|2.051746|14.132944|2.247928|2.436310|2.679690|3.572517|2.382039|3.020096|3.075461|2.017282|1.957828|2.141972|3.205762|2.086441|1.849131|3.933265|4.516194|4.403365|5.009437|7.539388|12.605751|7.526388|4.991478|36.858105| |3.582918|4.135555|4.146397|3.257399|21.655364|4.051649|5.142766|7.973945|9.920398|4.849794|5.338861|5.569936|3.162744|2.920282|3.418426|5.958815|3.101447|2.714097|18.601219|11.032944|6.565848|4.773142|3.806576|3.662649|4.335996|5.976652|2.887122|53.358707| |3.172001|3.776613|3.728106|3.014339|20.113100|3.638670|4.424061|6.088850|8.001940|4.308309|4.847767|5.152719|3.010685|2.817885|3.279098|5.536713|3.023793|2.600735|10.978509|7.454668|4.478338|3.632107|3.019446|2.898243|3.290084|4.137953|2.397522|18.270228|36.858105| |2.619326|3.062617|3.134995|2.655520|18.521922|3.316995|3.744044|4.906042|7.339023|4.242473|4.665170|5.477759|3.222532|3.112524|3.738765|6.232454|3.523718|2.707592|7.454209|5.520691|3.580659|2.987443|2.604911|2.580681|2.943265|3.537038|2.199951|10.660153|13.775613|36.858105| |2.332283|2.718753|2.742568|2.386560|16.627165|2.848217|3.132501|3.790153|5.493749|3.444423|3.983050|4.557228|2.833944|2.778163|3.226930|5.042177|3.122173|2.447271|5.573837|4.420763|2.886192|2.509377|2.222774|2.187219|2.428656|2.819975|1.908842|7.001495|7.926898|13.715513|36.858105| |2.379464|2.792906|2.722226|2.369684|16.048690|2.666432|2.978011|3.457246|4.714721|2.993209|3.607172|3.851928|2.448940|2.366617|2.653100|4.085337|2.551935|2.188220|5.193912|4.254113|2.719596|2.419354|2.124763|2.047461|2.224768|2.571324|1.791382|6.135475|6.783951|7.873809|13.760962|36.858105| |2.783264|3.321614|3.101083|2.625839|17.118673|2.838913|3.307615|3.831538|4.907244|3.030645|3.705863|3.748088|2.359203|2.234737|2.479613|3.883315|2.346441|2.136724|6.096313|5.004160|3.070307|2.735799|2.339122|2.201467|2.371024|2.787777|1.897284|7.004654|7.928957|6.912134|8.015663|13.665309|36.858105| |3.310503|4.008160|3.694317|2.989258|19.148925|3.289222|4.036696|4.970039|6.059118|3.516884|4.219298|4.196530|2.561429|2.391361|2.682903|4.340234|2.497787|2.296579|8.824029|6.792681|3.946194|3.392195|2.797295|2.602468|2.838666|3.467435|2.181297|10.625415|13.692293|7.971702|6.913004|7.874883|13.812821|36.858105| |2.059043|2.375535|2.314420|2.073760|14.146373|2.272040|2.470132|2.750667|3.764631|2.493433|3.084645|3.274643|2.154439|2.106872|2.313318|3.440499|2.259970|1.961168|4.008496|3.430876|2.241459|2.041975|1.827136|1.765520|1.892924|2.135802|1.573895|4.519472|4.410356|4.996616|7.529871|12.604849|7.543615|5.010727|36.858105| |5.365089|6.129111|7.406241|12.673312|48.607661|4.838285|5.014948|3.690562|4.221504|3.117554|4.989548|3.493636|2.372551|2.038747|2.000233|3.063039|1.749784|2.512655|4.460651|4.520581|2.831269|2.564037|2.239070|2.123767|2.272962|2.618859|1.849709|3.621744|2.515227|2.243912|2.068592|2.090734|2.313441|2.561482|1.874577|36.858105| |17.562616|8.764272|6.674132|6.095709|28.660991|3.813616|4.634660|3.820854|4.160265|2.830319|4.137148|3.197320|2.101768|1.861720|1.898660|2.941263|1.702668|2.106895|5.225863|6.148063|3.806323|3.649214|3.037489|2.700403|2.771345|3.213524|2.281976|4.123804|2.728551|2.321522|2.095183|2.132438|2.444198|2.823135|1.877692|6.367239|0.500000| |17.612317|8.769824|6.796068|5.241918|27.299689|4.105780|5.394374|4.797362|4.994563|3.225066|4.515286|3.589483|2.290247|2.035611|2.122961|3.355559|1.904902|2.226723|7.036885|9.726911|5.804535|5.458966|4.156517|3.547461|3.656230|4.451180|2.835143|5.258424|3.261404|2.684240|2.343599|2.345564|2.713687|3.283040|2.013264|4.580762|0.302108|0.500000| |17.525924|8.791303|5.460676|4.475457|23.010110|3.320119|4.192992|3.807397|4.113366|2.683793|3.741131|3.069470|1.990838|1.793709|1.867590|2.905166|1.700978|1.946249|5.760026|7.136320|4.232831|4.243682|3.359677|2.847342|2.855048|3.339019|2.371919|4.603710|3.058693|2.519568|2.274400|2.359464|2.796118|3.293213|2.056768|4.358871|0.301996|0.300714|0.500000| |8.873591|17.550630|8.966969|7.054571|31.125252|4.333764|5.609115|4.525898|4.763380|3.177394|4.599513|3.523033|2.284061|2.008807|2.057993|3.225586|1.831938|2.273008|6.181762|6.339697|3.546449|3.203855|2.628455|2.382244|2.520874|3.016704|2.014877|4.803717|3.395725|2.826784|2.591067|2.722171|3.236163|3.728183|2.366251|6.620698|0.213410|0.173313|0.212042|0.500000| |8.821109|17.649130|8.940327|5.697087|28.859969|4.665602|6.900292|6.311520|6.042681|3.704468|5.041316|4.015885|2.502479|2.210466|2.330663|3.755319|2.075279|2.397259|9.942633|10.318690|4.906351|4.188136|3.227753|2.872810|3.088563|3.899144|2.344105|6.904676|4.651744|3.571930|3.123738|3.242014|4.014505|5.121587|2.679922|4.627071|0.172917|0.207303|0.214658|0.306937|0.500000| |1.767489|1.936089|2.214816|2.161957|18.090475|2.993417|2.640007|2.827404|4.716041|4.179054|5.141750|8.055781|8.780592|17.794691|8.488345|7.941654|6.320808|6.520662|3.347903|2.962668|2.155987|1.875917|1.803100|1.948215|2.268212|2.424506|1.802821|3.420866|2.449466|2.696579|2.470910|2.136902|2.011733|2.122777|1.940175|1.871430|0.047237|0.051021|0.045429|0.050585|0.054825|0.500000| |1.696001|1.854302|2.031627|1.907672|14.905302|2.511754|2.401282|2.735893|4.564200|3.522922|4.025088|6.240916|4.637108|6.437359|8.903933|8.253650|17.548430|3.499339|3.467233|3.024663|2.222785|1.947086|1.876015|2.023101|2.338913|2.485854|1.873988|3.832780|2.837089|3.365264|3.111095|2.547072|2.297733|2.389722|2.301831|1.662766|0.044432|0.049065|0.044476|0.048368|0.054178|0.169798|0.500000| |1.870685|2.032614|2.210740|2.028524|15.550879|2.693478|2.653810|3.157913|5.383412|3.904993|4.264443|6.722158|4.413337|5.477635|8.954674|10.208029|17.605991|3.282950|4.097477|3.555769|2.673674|2.307819|2.229465|2.442752|2.892685|3.076516|2.234235|4.714886|3.365755|3.995102|3.454327|2.764952|2.533881|2.720131|2.410474|1.749071|0.048417|0.054892|0.049063|0.052179|0.060131|0.131438|0.300431|0.500000| |1.712162|1.838195|2.022001|1.902061|14.927885|2.514548|2.395327|2.724960|4.538625|3.520199|4.040794|6.236507|4.641822|6.455029|8.903777|8.234567|17.549756|3.501880|3.448178|3.083777|2.338783|2.051225|2.015964|2.234146|2.622145|2.706813|2.095399|3.758544|2.646606|2.985957|2.670074|2.240789|2.090000|2.227113|2.007957|1.656384|0.044994|0.050221|0.044707|0.047452|0.053285|0.170500|0.302076|0.300482|0.500000| |2.239754|2.560849|3.158961|3.262474|31.330077|5.068513|3.833009|3.666366|5.828870|5.991060|9.675688|8.928842|8.873141|5.824768|4.463981|6.296532|3.341027|17.611913|3.969075|3.458133|2.372599|2.028859|1.880382|1.962788|2.270503|2.554439|1.762299|3.720047|2.670969|2.769957|2.536732|2.293835|2.243481|2.392437|2.062059|2.717261|0.060784|0.063196|0.055941|0.067571|0.070148|0.143820|0.089045|0.083575|0.085524|0.500000| |1.926030|2.130656|2.533580|2.591081|23.492124|3.691137|2.995114|2.971573|4.745155|4.552607|6.578893|7.617628|9.055607|7.164963|4.751629|5.973580|3.609652|17.587204|3.367579|3.009381|2.137225|1.857389|1.761917|1.871876|2.160026|2.349710|1.716086|3.247768|2.311227|2.430343|2.238253|2.009894|1.945643|2.062340|1.830554|2.232369|0.052435|0.054979|0.048696|0.056118|0.058663|0.203782|0.096393|0.086467|0.096328|0.300367|0.500000| |2.265517|2.504993|3.100580|3.209513|31.186276|5.026630|3.776040|3.614483|5.735176|5.912191|9.717633|8.855017|8.873472|5.853318|4.466634|6.273159|3.345644|17.617341|3.920308|3.529347|2.503477|2.138912|2.014166|2.146175|2.516699|2.782520|1.937029|3.638106|2.502633|2.541210|2.276770|2.059189|2.044344|2.222868|1.840759|2.672796|0.061918|0.065369|0.056150|0.064814|0.067898|0.144983|0.085587|0.083617|0.089330|0.303612|0.300237|0.500000| |6.145293|6.307213|5.147351|3.804448|22.394790|3.810689|5.217439|6.117765|6.220905|3.572954|4.512945|4.016355|2.452352|2.229350|2.439641|3.971093|2.226108|2.259376|13.318220|26.007017|9.513333|7.680641|4.945877|4.085157|4.334329|5.834689|3.099224|9.676134|5.355528|3.893298|3.214396|3.201858|3.905188|5.359586|2.589942|3.194591|0.127326|0.197019|0.166675|0.135520|0.231766|0.055044|0.057050|0.066310|0.057501|0.063771|0.055758|0.064117|0.500000| |4.763114|4.067335|3.531049|2.912414|17.869923|2.865189|3.509977|3.855459|4.448139|2.747658|3.529777|3.262261|2.062933|1.920200|2.090027|3.281044|1.960643|1.917371|6.650121|9.937296|8.897718|17.689026|8.948759|5.626153|4.983630|5.658848|4.092391|5.978243|3.514423|2.857940|2.451609|2.422417|2.795128|3.450348|2.057128|2.602567|0.108901|0.163418|0.137641|0.094925|0.124340|0.048264|0.050108|0.058406|0.051984|0.053058|0.048251|0.055091|0.232848|0.500000| |3.152536|2.770371|2.598923|2.281181|14.831564|2.333807|2.661385|2.895837|3.615826|2.335227|2.999184|2.898736|1.877667|1.786877|1.943566|2.965896|1.865606|1.743506|4.539359|5.727686|5.644248|8.979397|17.691774|8.903583|5.681600|4.966368|6.988192|4.390000|2.666005|2.326626|2.027570|1.962296|2.158617|2.531415|1.711091|2.079891|0.078973|0.103706|0.088310|0.067565|0.080665|0.045495|0.047400|0.055552|0.050670|0.047318|0.044561|0.050407|0.116998|0.217555|0.500000| |2.689048|2.624288|2.781004|2.474614|17.747255|3.010035|3.216501|3.732199|5.270398|3.472272|4.202884|4.498543|2.831083|2.720576|3.061274|4.764241|2.885887|2.493293|5.221955|5.654206|5.660909|4.984719|5.681807|8.932303|17.700966|8.976334|6.967405|5.230740|3.020378|2.801643|2.329684|2.109453|2.204330|2.587342|1.811334|2.129567|0.068841|0.086945|0.069433|0.063459|0.075768|0.067443|0.069104|0.086355|0.080189|0.064553|0.062886|0.073037|0.099144|0.108024|0.124410|0.500000| |3.489668|3.633275|4.026366|3.348783|23.837335|4.535987|5.212931|7.068718|9.942230|5.589462|6.242374|6.412808|3.630224|3.281519|3.759329|6.559652|3.283330|3.106925|9.564903|9.493438|8.884393|5.651073|4.972116|5.630448|8.959037|17.761645|4.090498|8.822971|4.454644|3.904885|3.043016|2.709550|2.887046|3.580853|2.233527|2.700158|0.085944|0.113876|0.086836|0.084256|0.107958|0.077722|0.078449|0.098455|0.085831|0.082120|0.074896|0.090206|0.144805|0.123966|0.107815|0.218650|0.500000| |2.433021|2.208568|2.194438|2.003433|13.694893|2.132769|2.304408|2.472892|3.252047|2.194153|2.833856|2.816548|1.868272|1.803232|1.943451|2.890588|1.883381|1.739165|3.601491|4.177954|3.942062|4.629290|6.844021|8.827683|5.760133|4.236050|17.547970|3.526008|2.185281|2.000468|1.756902|1.667226|1.773275|2.023936|1.476645|1.831780|0.063721|0.078155|0.065772|0.054768|0.062595|0.046421|0.047417|0.055431|0.052561|0.046254|0.044972|0.050842|0.080771|0.109586|0.198327|0.147630|0.098242|0.500000| |2.284269|2.147636|2.193798|2.004001|14.096067|2.245505|2.383937|2.616630|3.569409|2.423249|3.068072|3.180371|2.103804|2.056268|2.245613|3.325594|2.193547|1.922614|3.736619|4.162279|3.944911|4.170684|5.575270|8.840540|7.198121|4.726759|17.573710|3.743887|2.300556|2.148072|1.865173|1.734636|1.815678|2.071987|1.529293|1.800793|0.059678|0.072782|0.060769|0.053191|0.061242|0.052745|0.054315|0.064881|0.062022|0.050362|0.049753|0.056166|0.078227|0.096052|0.140584|0.219858|0.113059|0.301962|0.500000| |2.260296|2.114181|2.093846|1.890253|12.993075|2.063868|2.239411|2.481411|3.328796|2.211147|2.784768|2.885327|1.897956|1.862945|2.053395|3.049467|2.035178|1.732211|3.692632|4.169480|3.951675|4.535149|6.524453|8.826036|5.989664|4.330783|17.531102|3.791045|2.349485|2.171524|1.897578|1.783089|1.881233|2.146782|1.572720|1.714007|0.058293|0.071464|0.061629|0.052633|0.061268|0.047852|0.051068|0.061074|0.056754|0.045996|0.044904|0.049897|0.081146|0.106625|0.180991|0.156669|0.100923|0.302214|0.302083|0.500000| |3.191923|3.598401|3.773859|3.065660|21.276271|4.047180|4.837652|7.533616|11.381720|5.413520|5.626570|6.449564|3.539741|3.307343|4.027455|7.319519|3.635563|2.931454|13.087212|8.978333|6.187751|4.476028|3.762400|3.819429|4.757078|6.546243|3.026006|25.933634|9.497345|7.652600|4.919883|4.074481|4.322906|5.822311|3.089801|2.503520|0.076911|0.096691|0.082867|0.086211|0.116307|0.077767|0.089249|0.115394|0.088963|0.080390|0.071373|0.079883|0.154313|0.110024|0.087700|0.120847|0.216029|0.074159|0.081633|0.080864|0.500000| |2.474400|2.842525|2.993479|2.573374|18.493713|3.361697|3.668883|4.868168|8.021424|4.687500|4.929757|6.407636|3.668937|3.627496|4.617135|7.944465|4.375905|2.956632|6.965653|5.256181|3.565613|2.942712|2.620754|2.670376|3.118172|3.713916|2.287770|9.773648|8.937544|17.711958|8.899352|5.622112|4.972529|5.658976|4.079824|2.164234|0.061569|0.071447|0.065419|0.072327|0.089737|0.085609|0.113500|0.143135|0.099610|0.082350|0.073613|0.076412|0.099689|0.076417|0.064532|0.084307|0.117623|0.057235|0.062894|0.062586|0.232096|0.500000| |2.080432|2.391034|2.445315|2.175204|15.470868|2.615869|2.787791|3.297834|4.919389|3.220048|3.739146|4.446141|2.836545|2.856903|3.333107|5.013152|3.318640|2.434407|4.677346|3.817046|2.558489|2.248349|2.031239|2.025588|2.247410|2.555056|1.795583|5.688734|5.654188|8.951068|17.700540|8.930692|5.671956|4.971582|6.966796|1.902166|0.052612|0.058187|0.056242|0.063693|0.074564|0.071325|0.094679|0.101723|0.077963|0.069761|0.062698|0.062152|0.076428|0.060677|0.051747|0.060837|0.076896|0.045932|0.049162|0.049722|0.116399|0.216268|0.500000| |2.737872|3.238611|2.938212|2.521906|16.171005|2.598458|3.011187|3.340844|4.206159|2.664242|3.346069|3.296091|2.115154|2.002036|2.184299|3.366035|2.073693|1.951601|5.243244|4.534018|2.795258|2.557528|2.195882|2.045079|2.165895|2.510493|1.777901|5.685519|5.649123|4.970057|5.675584|8.900708|17.687869|8.975060|7.005566|2.275526|0.067162|0.072840|0.077901|0.090189|0.107575|0.050606|0.056651|0.061571|0.051946|0.057101|0.049689|0.052179|0.100500|0.073974|0.057057|0.055853|0.071193|0.046602|0.047092|0.049037|0.098871|0.107818|0.124342|0.500000| |3.870457|4.693811|4.024982|3.179447|19.550936|3.292771|4.178309|4.953493|5.658902|3.310149|4.086192|3.877775|2.389330|2.212045|2.444347|3.929877|2.267942|2.180059|9.319054|7.813973|4.306218|3.772057|3.013607|2.719993|2.912350|3.578196|2.255658|9.746681|8.909618|5.662334|4.973458|5.620887|8.939301|17.725236|4.091720|2.746207|0.089073|0.105315|0.109530|0.120034|0.177200|0.054850|0.059944|0.068030|0.057035|0.063030|0.054372|0.059481|0.186925|0.110449|0.076052|0.072366|0.099542|0.058634|0.058801|0.061404|0.145693|0.124340|0.107851|0.216828|0.500000| |2.073004|2.416337|2.352582|2.128843|14.462064|2.286132|2.471753|2.682743|3.625300|2.438159|3.074622|3.171900|2.108175|2.038629|2.195863|3.257263|2.114311|1.951544|3.839028|3.304793|2.137646|1.950496|1.741645|1.678052|1.795688|2.028178|1.497629|4.167035|3.952785|4.284434|5.862005|8.826636|6.703481|4.587863|17.538391|1.940547|0.052837|0.055618|0.057494|0.068043|0.075050|0.052357|0.059874|0.061699|0.052468|0.057655|0.050616|0.050895|0.069385|0.054874|0.045421|0.047717|0.058948|0.039272|0.040448|0.041354|0.078802|0.099390|0.151585|0.190538|0.108142|0.500000| |1.975518|2.239579|2.146233|1.925929|13.016947|2.067540|2.258450|2.501836|3.386391|2.239338|2.788373|2.939709|1.943816|1.909331|2.094758|3.096524|2.070035|1.778281|3.708664|3.257712|2.151140|1.994053|1.792776|1.720937|1.821955|2.034610|1.542480|4.181298|3.953576|4.284235|5.871107|8.827388|6.687573|4.587719|17.536807|1.760752|0.050051|0.053683|0.055480|0.062073|0.070120|0.049137|0.058330|0.061586|0.051691|0.051566|0.046316|0.046757|0.069221|0.056255|0.047027|0.048274|0.058294|0.040294|0.041440|0.043090|0.079113|0.099174|0.151745|0.189862|0.108221|0.302259|0.500000| |1.891299|2.162301|2.144848|1.944248|13.521536|2.171535|2.315034|2.578616|3.619656|2.438876|3.002572|3.281854|2.184562|2.170374|2.389395|3.490402|2.369090|1.976445|3.682604|3.159156|2.100120|1.911456|1.731685|1.693557|1.823281|2.037771|1.522175|4.169726|3.948819|4.734607|7.224792|8.839207|5.564848|4.165425|17.574721|1.757263|0.048291|0.051730|0.052125|0.059551|0.066812|0.055863|0.068160|0.070038|0.058166|0.057510|0.051670|0.051083|0.065321|0.052973|0.045041|0.048975|0.059605|0.039591|0.041364|0.042312|0.081488|0.112805|0.221351|0.140410|0.095904|0.301955|0.301968|0.500000| |4.174596|4.836796|5.741115|8.878700|46.196409|4.431608|4.338462|3.302806|3.908085|2.949945|4.756948|3.369436|2.332195|2.005242|1.944286|2.942760|1.701034|2.514773|3.974258|3.921875|2.487768|2.259864|1.999709|1.915062|2.051383|2.338432|1.688215|3.316896|2.353272|2.139617|2.002431|2.029463|2.216611|2.402084|1.844149|17.553730|0.131221|0.101535|0.099387|0.149793|0.108740|0.051511|0.045261|0.046916|0.044701|0.076759|0.062545|0.073683|0.077302|0.063514|0.051852|0.054001|0.067559|0.046350|0.045921|0.043731|0.064152|0.057382|0.051577|0.060817|0.070424|0.053501|0.047951|0.048235|0.500000| |5.018212|5.079265|5.928925|8.870344|43.320645|4.331446|4.373013|3.332741|3.887187|2.893633|4.619909|3.294619|2.261217|1.954332|1.910183|2.900844|1.678576|2.408119|4.065747|4.229051|2.740525|2.521048|2.236994|2.130912|2.262910|2.561657|1.871283|3.342583|2.289862|2.056936|1.891671|1.897992|2.083193|2.305969|1.709735|17.539768|0.175664|0.124202|0.113946|0.143910|0.110070|0.050125|0.044168|0.046519|0.044534|0.071152|0.059890|0.072254|0.082575|0.070737|0.058026|0.059096|0.072683|0.051951|0.050721|0.047865|0.064943|0.055672|0.048652|0.056831|0.068519|0.048825|0.044882|0.044793|0.302014|0.500000| 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