Version2.0 2020-07-18T13:49:22Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 24-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1c(sc2c1c(nc(n2)SCC(=O)Nc3ccc(cc3)C)N4CC[NH+](CC4)CC(=O)N5CC5)C C34762822 RHF 6-31G(d) (6D,7F) CCc1c(sc2c1c(nc(n2)SCC(=O)Nc3ccc(cc3)C)N4CC[NH+](CC4)CC(=O)N5CC5)C C01[X(C26H33N6O2S2)] 201 C1 614 CCc1c(C)sc2c1c(nc(n2)SCC(=O)Nc1ccc(cc1)C)N1CC[NH+](CC1)CC(=O)N1CC1 CCc1c(C)sc2c1c(nc(n2)SCC(=O)Nc1ccc(cc1)C)N1CC[NH+](CC1)CC(=O)N1CC1 CCc1c(C)sc2nc(SCC(=O)Nc3ccc(C)cc3)nc(N4CC[NH+](CC4)CC(=O)N5CC5)c12 InChIKey=OZWUBHGANVCAET-UHFFFAOYSA-O InChI=1S/C26H32N6O2S2/c1-4-20-18(3)36-25-23(20)24(32-11-9-30(10-12-32)15-22(34)31-13-14-31)28-26(29-25)35-16-21(33)27-19-7-5-17(2)6-8-19/h5-8H,4,9-16H2,1-3H3,(H,27,33)/p+1 InChI=1/C26H32N6O2S2/c1-4-20-18(3)36-25-23(20)24(32-11-9-30(10-12-32)15-22(34)31-13-14-31)28-26(29-25)35-16-21(33)27-19-7-5-17(2)6-8-19/h5-8H,4,9-16H2,1-3H3,(H,27,33)/p+1/fC26H33N6O2S2/h27,30H/q+1 CCc1c(sc2c1c(nc(n2)SCC(=O)Nc3ccc(cc3)C)N4CC[NH+](CC4)CC(=O)N5CC5)C C01[X(C26H33N6O2S2)] 201 C01 614 CCc1c(C)sc2c1c(nc(n2)SCC(=O)Nc1ccc(cc1)C)N1CC[NH+](CC1)CC(=O)N1CC1 CC[C]1=C(C)S[C]2[C]1[C]([N][C]([N]2)SCC(=O)N[C]1[CH][CH][C]([CH][CH]1)C)N1CC[NH](CC1)CC(=O)N1CC1 CCC1=C(C)S[C]2[N][C]([N][C]([C]12)N3CC[NH](CC3)CC(=O)N4CC4)SCC(=O)N[C]5[CH][CH][C](C)[CH][CH]5 InChIKey=NNQSPSFOQGQHHW-UHFFFAOYSA-N InChI=1S/C26H33N6O2S2/c1-4-20-18(3)36-25-23(20)24(32-11-9-30(10-12-32)15-22(34)31-13-14-31)28-26(29-25)35-16-21(33)27-19-7-5-17(2)6-8-19/h5-8,30H,4,9-16H2,1-3H3,(H,27,33) InChI=1/C26H33N6O2S2/c1-4-20-18(3)36-25-23(20)24(32-11-9-30(10-12-32)15-22(34)31-13-14-31)28-26(29-25)35-16-21(33)27-19-7-5-17(2)6-8-19/h5-8,30H,4,9-16H2,1-3H3,(H,27,33)/f/h27H 3984.6418055175 -2275.0246932 1-A 37928.2474 139 475 614 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2088.57 2103.96 2109.81 2123.56 2142.34 2147.14 2170.84 2179.56 2210.92 2222.12 2242.77 2243.90 2253.51 2258.61 2260.09 2263.71 2278.03 2303.23 2310.00 2334.43 2339.56 2341.27 2346.06 2347.96 2349.37 2358.30 2359.58 2360.06 2363.72 2365.81 2373.79 2384.15 2394.64 2423.04 2434.39 2465.53 2480.47 2541.24 2573.51 2587.66 2626.88 2828.24 2828.98 4573.52 4609.59 4613.11 4628.72 4630.86 4684.63 4684.97 4692.44 4704.47 4705.30 4707.26 4712.72 4713.97 4723.36 4728.41 4744.17 4762.84 4767.00 4769.62 4770.08 4783.37 4797.58 4801.76 4803.24 4808.59 4828.69 4838.86 4841.69 4913.24 4937.40 4978.91 5222.07 5563.86 0.615006 0.649083 0.650027 0.539239 -2274.409687 -2274.375610 -2274.374666 -2274.485455 3.715881D-04 MUNgauss RevisionA2.0 retrievium 18-Jul-2020 DUDE CCc1c(sc2c1c(nc(n2)SCC(=O)Nc3ccc(cc3)C)N4CC[NH+](CC4)CC(=O)N5CC5)C C34762822 RHF 6-31G(d) (6D,10F) C1 525.210643 |X|Y|Z| 174.605186 82.078501 26.533427 72.448039 30 6 7 16 22 6 2 |36.858105| |12.426571|36.858105| |7.505620|12.597320|36.858105| |5.543197|7.547862|14.167760|36.858105| |3.922485|4.679906|7.310603|10.829546|388.023441| |4.212586|4.990842|8.008328|7.657193|78.395282|36.858105| |5.642091|7.227644|12.992736|8.202385|52.251074|13.638717|36.858105| |4.979507|5.739273|7.200676|5.147308|34.936186|8.174955|13.610286|36.858105| |3.790721|4.130151|5.024756|4.099274|31.042909|7.216129|8.049469|14.572100|53.358707| |3.311891|3.611396|4.603494|4.107269|35.143211|8.579194|7.069322|8.371327|19.460489|36.858105| |3.394016|3.795394|5.217193|5.027722|50.521750|14.410420|7.871131|6.996152|11.058873|14.551539|53.358707| |2.581906|2.723184|3.231616|3.000418|25.248002|4.911406|4.283079|4.969510|10.002812|10.837205|9.655999|388.023441| |2.304262|2.438489|2.933343|2.894407|26.054077|4.571770|3.673735|3.796295|6.507778|6.939036|9.090597|74.764202|36.858105| |1.963385|2.049332|2.379812|2.350885|20.254121|3.348312|2.856115|2.986791|4.954167|4.629300|5.930455|49.880310|12.498256|36.858105| |1.883687|1.950881|2.221015|2.156156|17.944660|2.993801|2.656601|2.863211|4.796072|4.237502|5.135446|48.024310|7.999338|15.917334|73.516695| |1.802967|1.881011|2.176500|2.199546|19.099119|2.985171|2.534434|2.568552|4.075144|3.703397|5.066892|34.189062|7.941579|14.072415|14.925911|53.358707| |1.592855|1.650512|1.873567|1.894361|16.010476|2.443548|2.133341|2.166208|3.366939|2.922405|3.968850|25.975856|5.034765|7.620059|11.507080|18.312012|36.858105| |1.499206|1.544207|1.727184|1.724187|14.213627|2.192296|1.961562|2.027418|3.158805|2.664958|3.511459|24.077420|4.199081|6.257233|11.591566|10.480916|13.746827|36.858105| |1.353510|1.389397|1.537439|1.540056|12.526319|1.897379|1.718275|1.766425|2.702386|2.231905|2.965766|19.324648|3.226374|4.303446|7.929641|6.966863|7.956104|13.721563|36.858105| |1.292215|1.327701|1.469136|1.487246|12.125727|1.798410|1.622883|1.645019|2.480264|2.046960|2.776386|17.119185|2.893016|3.649146|6.364333|6.140407|6.781954|7.839628|13.752642|36.858105| |1.353163|1.396056|1.559340|1.595666|13.216645|1.934648|1.720261|1.720717|2.584189|2.163626|2.995866|17.828096|3.142775|3.893501|6.383910|7.063170|7.914699|6.881161|8.030892|13.689487|36.858105| |1.497951|1.552610|1.757682|1.803061|15.248436|2.249441|1.963329|1.957361|2.971017|2.548267|3.559754|21.318835|4.015862|5.155880|7.868246|10.838799|13.688164|7.955086|6.944039|7.891182|13.813096|36.858105| |1.172923|1.201321|1.316206|1.332393|10.711858|1.574528|1.437841|1.456023|2.170424|1.762094|2.390028|14.423095|2.353606|2.837101|5.024163|4.522658|4.409958|4.987682|7.526033|12.608643|7.544859|5.014265|36.858105| |5.352285|5.945097|5.962139|4.254033|26.761679|5.185495|7.708441|13.376632|11.190990|5.361560|6.258880|27.725554|3.033347|2.523135|4.413042|2.990758|1.901894|1.812229|1.601390|1.491722|1.543830|1.728370|1.335756|53.358707| |4.358763|5.245266|5.072996|3.823896|24.038279|4.364240|5.911261|7.973345|8.272156|4.440451|5.352457|24.480816|2.753532|2.336983|4.107325|2.797623|1.797868|1.721373|1.531485|1.429769|1.475688|1.641703|1.286690|17.791259|36.858105| |4.123686|4.638891|4.040632|3.178575|19.601266|3.312382|4.242180|5.128414|5.772650|3.327051|4.109529|19.638688|2.276098|1.992342|3.537675|2.419335|1.583743|1.531694|1.380171|1.292880|1.326113|1.457442|1.175456|10.638635|12.539087|36.858105| |3.626353|3.724437|3.340012|2.708294|17.277840|2.929951|3.607258|4.499706|5.466656|3.141073|3.772470|19.404523|2.209197|1.967632|3.553810|2.373643|1.564489|1.530809|1.381598|1.286007|1.308090|1.431083|1.171776|9.061117|7.686720|12.664644|53.358707| |3.144812|3.280503|3.072176|2.539926|16.673380|2.851686|3.411618|4.320428|5.553408|3.198826|3.768508|20.327690|2.278974|2.045658|3.733663|2.449712|1.616377|1.591350|1.433344|1.326814|1.343638|1.469495|1.207447|8.126862|7.170746|9.369259|25.587383|0.500000| |4.135626|3.950411|3.575882|2.860898|18.325961|3.173381|3.957077|5.122912|6.210894|3.468531|4.096826|21.179894|2.370410|2.094686|3.782969|2.509012|1.643970|1.605594|1.441957|1.338888|1.363407|1.497593|1.215404|10.689229|6.650542|7.713064|17.277628|0.256349|36.858105| |4.346391|4.305316|4.234181|3.306378|21.800928|4.057820|5.200178|7.912138|9.678507|4.779418|5.317481|27.589059|2.920366|2.502855|4.496593|2.935288|1.885319|1.825976|1.615424|1.491374|1.526368|1.698264|1.338503|17.819522|7.961974|6.641079|10.490691|0.198473|12.541880|36.858105| |3.150407|3.153293|2.774132|2.324630|14.795762|2.410959|2.874938|3.363360|4.168641|2.524760|3.110442|16.058838|1.886445|1.711529|3.098092|2.093321|1.398323|1.375618|1.255011|1.173499|1.189389|1.289251|1.078422|6.089057|4.992397|7.668622|17.441708|0.263989|7.623475|4.985098|36.858105| |2.597773|2.681272|2.429101|2.085424|13.521002|2.179261|2.527505|2.912150|3.716310|2.306136|2.850945|15.022481|1.781681|1.636263|2.977027|2.008631|1.351217|1.336465|1.224753|1.144835|1.155832|1.247061|1.055826|4.971383|4.302745|6.052133|10.608009|0.222469|5.072507|3.923388|12.470627|36.858105| |2.479262|2.613363|2.436171|2.098562|13.839376|2.256750|2.591794|3.029682|3.951056|2.447657|2.991200|16.114290|1.891552|1.739825|3.181314|2.123021|1.425640|1.413458|1.291099|1.201880|1.211269|1.309183|1.105465|5.088686|4.577596|5.983595|9.918602|0.251281|4.785653|3.996769|8.098131|15.930415|73.516695| |2.334938|2.389698|2.151491|1.880921|12.170037|1.916848|2.191928|2.449740|3.129171|1.989953|2.501808|13.067208|1.583225|1.466155|2.661329|1.818822|1.233223|1.221225|1.127599|1.059248|1.068547|1.146134|0.982811|4.037621|3.394931|4.512466|7.082788|0.142149|3.894217|3.118727|7.845179|14.077216|14.894170|53.358707| |1.987217|2.033551|1.867640|1.661507|10.919873|1.705674|1.910967|2.116949|2.758884|1.786874|2.252207|11.974430|1.465068|1.373655|2.505650|1.711812|1.170101|1.165633|1.082515|1.017089|1.021400|1.089312|0.948238|3.374831|2.794324|3.454498|5.287215|0.111048|3.111835|2.612601|5.088440|7.706850|11.451508|18.057112|36.858105| |2.114902|2.112996|1.911281|1.690987|11.015401|1.719995|1.942384|2.152258|2.780704|1.791035|2.258588|11.925942|1.456876|1.361968|2.480605|1.696970|1.158449|1.152345|1.069664|1.005721|1.011102|1.079065|0.937434|3.474272|2.790388|3.510357|5.602114|0.112070|3.397553|2.737392|5.897800|7.565986|9.841800|17.859274|12.858441|36.858105| |4.827328|6.035572|7.381846|12.669391|48.741152|4.838068|5.015436|3.701349|4.220762|3.111104|4.986333|17.337774|2.406964|2.021724|3.313748|2.627862|1.695734|1.548790|1.401978|1.367314|1.467932|1.639177|1.237115|4.496235|3.086512|2.723296|3.194708|0.061013|2.443713|2.698129|2.084192|1.887545|3.342891|2.363922|1.545247|1.575734|36.858105| |17.572827|8.779437|6.785338|5.747433|28.844207|4.083546|5.061833|4.284983|4.656085|3.122450|4.483059|17.536099|2.261501|1.930789|3.267542|2.439534|1.586191|1.484991|1.344080|1.290352|1.357472|1.502512|1.172265|5.842841|3.571810|3.349997|4.111737|0.074619|3.421402|3.637530|2.681128|2.264841|3.866549|2.810072|1.787569|1.896366|5.337882|0.500000| |17.567461|8.757774|6.804891|4.954121|27.242742|4.423349|6.046560|5.808308|5.953467|3.690273|4.972397|20.283485|2.477132|2.101541|3.606723|2.593733|1.675622|1.582642|1.421293|1.348016|1.406723|1.561595|1.219295|8.724309|4.699731|4.354328|5.454491|0.096101|4.925494|5.372699|3.374154|2.724753|4.638166|3.276376|2.044241|2.186980|4.102968|0.302051|0.500000| |17.536352|8.780597|5.480628|4.359766|23.022522|3.429532|4.388835|4.107732|4.433605|2.846911|3.907578|16.350780|2.055174|1.782474|3.066686|2.237143|1.467459|1.391377|1.264622|1.208418|1.259347|1.383613|1.103465|6.349363|4.034814|4.125799|4.998357|0.086825|4.103780|3.993638|3.327198|2.704578|4.486161|3.358265|2.080452|2.246267|4.065393|0.301686|0.300769|0.500000| |8.874032|17.608787|8.935073|7.147099|30.877708|4.232536|5.472057|4.420742|4.635772|3.087636|4.490401|17.117146|2.211516|1.882494|3.179438|2.383232|1.549393|1.448598|1.312433|1.262136|1.329450|1.471028|1.147615|6.163953|4.313020|4.005438|4.405335|0.080108|3.318829|3.492789|2.853138|2.483728|4.286930|3.079966|1.942185|2.009979|6.878366|0.211883|0.173202|0.213295|0.500000| |8.864676|17.605519|8.907319|5.753339|28.809950|4.578021|6.701567|6.078514|5.854010|3.604477|4.946813|19.520721|2.399443|2.030567|3.473750|2.516449|1.626723|1.533552|1.379780|1.312214|1.371704|1.521574|1.188564|9.777328|6.900893|6.190910|6.180335|0.108353|4.605331|4.890056|3.734195|3.132049|5.415969|3.730713|2.286369|2.367712|4.698369|0.173360|0.209719|0.214045|0.306504|0.500000| |2.398701|2.503810|3.042074|3.054877|28.224446|4.823733|3.768465|3.756811|6.202428|6.541633|9.488906|56.282760|17.610101|8.849323|10.982358|9.688055|4.713815|3.862537|3.047964|2.798181|3.090068|3.947927|2.293323|4.056156|2.646466|2.206178|2.912524|0.060475|2.328266|2.856707|1.836834|1.716719|3.203243|2.086705|1.414217|1.417321|2.540363|0.066401|0.071706|0.058946|0.063059|0.067199|0.500000| |2.286461|2.476532|3.018588|3.032642|28.112380|4.806410|3.748988|3.751046|6.201377|6.536302|9.503389|56.284275|17.610655|8.850291|10.988014|9.683083|4.712230|3.863868|3.048540|2.797717|3.088467|3.944668|2.292500|4.062680|2.781585|2.282356|2.956459|0.062203|2.286313|2.789029|1.857649|1.768088|3.348582|2.143759|1.458142|1.440880|2.519577|0.062283|0.067213|0.056646|0.062965|0.067745|0.302856|0.500000| |1.855197|1.946049|2.278783|2.343375|20.889689|3.181408|2.636949|2.606203|4.064986|3.746401|5.395110|32.167636|7.803724|9.500888|10.880898|26.058280|9.330580|5.742589|4.294426|4.064102|4.936412|7.674710|3.087790|3.002240|2.060649|1.775943|2.346641|0.049083|1.820914|2.129687|1.520512|1.454442|2.722562|1.796305|1.238217|1.228992|2.059561|0.051577|0.054105|0.046749|0.050518|0.052683|0.214277|0.213982|0.500000| |1.546346|1.590051|1.772990|1.748972|14.298379|2.251237|2.033211|2.137527|3.379871|2.833219|3.631082|26.649628|4.418700|6.821466|14.946486|9.490890|8.915006|17.824929|8.920577|5.618449|4.964736|5.653500|4.082453|2.609079|1.817903|1.614927|2.213974|0.047257|1.709830|1.953597|1.455995|1.415424|2.671994|1.752172|1.228848|1.214147|1.559673|0.042290|0.045632|0.039888|0.041202|0.044113|0.109618|0.109717|0.142900|0.500000| |1.296152|1.326144|1.455059|1.448315|11.628874|1.768571|1.621913|1.680467|2.566543|2.086909|2.741557|18.032469|2.883899|3.743943|7.207745|5.650979|5.671414|8.984658|17.706000|8.938093|5.681379|4.988038|6.970998|2.095900|1.477407|1.340931|1.839126|0.039053|1.407684|1.566293|1.233097|1.207720|2.264892|1.516185|1.073990|1.060392|1.321405|0.035652|0.037855|0.033795|0.034801|0.036730|0.075454|0.075484|0.098265|0.217464|0.500000| |1.295810|1.336796|1.489060|1.534305|12.669943|1.823998|1.625223|1.611842|2.392375|1.989756|2.785189|15.984961|2.779345|3.283450|5.367010|5.745322|5.645867|4.954991|5.678796|8.897806|17.698979|8.981306|6.989661|1.975537|1.390921|1.255629|1.680389|0.035103|1.283830|1.428586|1.127542|1.096181|2.036042|1.384948|0.973426|0.964073|1.425101|0.036244|0.037227|0.033566|0.035553|0.036384|0.076973|0.076926|0.117151|0.107701|0.124402|0.500000| |1.545730|1.608533|1.835802|1.907582|16.391843|2.369775|2.039911|2.001169|3.008579|2.603510|3.735754|21.098209|4.071400|4.833343|7.082413|10.008153|8.886734|5.647500|4.986164|5.631034|8.958034|17.683501|4.095917|2.386670|1.663220|1.471540|1.951144|0.040687|1.500065|1.703513|1.289910|1.243976|2.315672|1.557292|1.083889|1.074877|1.739338|0.043291|0.044542|0.039512|0.042469|0.043515|0.114580|0.114431|0.235930|0.124053|0.108073|0.217773|0.500000| |1.150774|1.172771|1.282250|1.301090|10.435309|1.524524|1.394079|1.406610|2.086228|1.689421|2.300969|13.685705|2.225777|2.637954|4.639968|4.183542|3.955637|4.305918|5.933898|8.835118|6.606860|4.562673|17.539478|1.758852|1.239477|1.135802|1.542746|0.032327|1.179937|1.296030|1.045683|1.020457|1.891848|1.295478|0.917579|0.910171|1.213152|0.032066|0.033214|0.030093|0.031157|0.032126|0.061204|0.059896|0.080587|0.100123|0.154415|0.184905|0.107427|0.500000| |1.137096|1.169621|1.280756|1.301255|10.453890|1.524512|1.392285|1.403393|2.079902|1.685490|2.300641|13.624861|2.221442|2.626348|4.600555|4.180695|3.950364|4.252181|5.805654|8.833556|6.786688|4.616675|17.549460|1.754683|1.249085|1.142407|1.543255|0.032439|1.169895|1.284676|1.045475|1.026664|1.911821|1.303642|0.925298|0.912561|1.213548|0.031571|0.032697|0.029752|0.031154|0.032156|0.059980|0.061079|0.080871|0.098621|0.149407|0.194721|0.109132|0.302233|0.500000| |1.142158|1.167761|1.272746|1.280490|10.210250|1.511612|1.391503|1.419480|2.119343|1.706121|2.290319|14.038672|2.239783|2.701434|4.911872|4.164348|3.951050|4.730297|7.213406|8.842185|5.570700|4.171568|17.581399|1.783924|1.265390|1.160520|1.582411|0.033373|1.204188|1.321473|1.072601|1.053196|1.962842|1.335275|0.949512|0.937730|1.187886|0.031610|0.033041|0.029934|0.030955|0.032213|0.060151|0.060284|0.077931|0.112939|0.220990|0.140343|0.096047|0.302013|0.301932|0.500000| |3.534751|4.118904|4.213681|3.369697|22.452303|4.110805|5.105884|6.983736|8.561463|4.622723|5.353053|26.580433|2.908730|2.485431|4.419003|2.939971|1.887274|1.817978|1.610362|1.492936|1.533821|1.708123|1.339725|12.253701|17.465823|8.845365|9.353460|0.209302|5.794917|7.136679|4.612633|4.277497|8.671257|4.539299|2.815973|2.740141|2.751488|0.083806|0.105953|0.091389|0.097923|0.139126|0.075785|0.081857|0.059601|0.053728|0.043247|0.039963|0.047775|0.035667|0.036119|0.036702|0.500000| |4.482194|5.994367|5.896126|4.390559|26.649795|4.697497|6.448801|7.364604|7.410871|4.290996|5.494450|23.182602|2.715492|2.286855|3.957337|2.773945|1.780075|1.688604|1.505651|1.416070|1.471678|1.639783|1.274843|12.406466|17.625820|8.991667|7.623617|0.145568|4.966129|5.714339|4.147163|3.719195|6.963468|4.185341|2.572669|2.545611|3.504765|0.102784|0.126625|0.113791|0.139480|0.227380|0.072833|0.077875|0.057383|0.049104|0.040162|0.038702|0.046498|0.034114|0.034524|0.034691|0.302547|0.500000| |3.456748|3.940889|3.508745|2.872358|17.969932|2.958295|3.629714|4.203692|4.955377|2.973346|3.717596|18.039129|2.126386|1.883741|3.352303|2.302890|1.518284|1.472992|1.333890|1.251764|1.281417|1.401962|1.142318|7.668694|8.823515|17.650745|12.360261|0.227889|5.626037|4.981931|7.150103|6.832560|12.611301|6.914719|3.854328|3.733751|2.517741|0.080523|0.098442|0.097062|0.099234|0.140713|0.056825|0.059795|0.046916|0.043073|0.036078|0.033764|0.039276|0.030599|0.030943|0.031376|0.215234|0.212658|0.500000| |4.882116|5.432110|4.307989|3.345638|19.796692|3.247065|4.221437|4.786394|5.219990|3.086959|3.924605|18.069884|2.143106|1.875210|3.304762|2.300133|1.509627|1.454282|1.315819|1.239731|1.275691|1.399491|1.130316|9.579862|8.828327|17.633711|12.414290|0.182378|7.027773|5.822133|7.060885|5.259803|8.575752|5.792565|3.247996|3.412207|2.916226|0.106229|0.138699|0.142010|0.130414|0.212809|0.058542|0.059677|0.047188|0.042341|0.035458|0.033693|0.039418|0.030454|0.030536|0.030934|0.173170|0.215438|0.298927|0.500000| |3.470096|3.259464|3.015955|2.496211|16.365806|2.792374|3.332372|4.193034|5.428224|3.143700|3.698113|20.138488|2.257941|2.033938|3.721478|2.435493|1.609620|1.587540|1.430940|1.323730|1.338833|1.462778|1.205488|7.688885|4.974678|5.620775|12.365995|0.222835|17.620657|8.832086|7.093111|4.940578|8.241108|5.252941|3.159426|3.515963|2.167311|0.082744|0.113295|0.096509|0.078134|0.101740|0.061518|0.059892|0.048730|0.047183|0.039029|0.034968|0.040457|0.032538|0.032147|0.033312|0.130163|0.109137|0.126775|0.143645|0.500000| |4.909789|4.401538|3.755982|2.979895|18.488564|3.118071|3.942718|4.790243|5.550177|3.204552|3.918009|19.285267|2.224355|1.962483|3.507413|2.379531|1.563213|1.518836|1.370482|1.281327|1.309945|1.436266|1.166721|9.636912|5.844835|7.018876|12.395038|0.180726|17.627247|8.804480|7.001130|4.561420|7.312968|5.053760|2.950709|3.301378|2.578604|0.109400|0.165129|0.140984|0.102047|0.141917|0.061578|0.059818|0.048328|0.044593|0.037086|0.034425|0.040161|0.031582|0.031237|0.032029|0.134059|0.130737|0.143462|0.211153|0.299500|0.500000| |4.460903|4.141446|4.153332|3.302008|22.086602|4.105389|5.104926|7.309716|9.418151|4.879090|5.442535|28.409898|3.017829|2.581649|4.628389|3.023916|1.937667|1.873355|1.653919|1.526263|1.563759|1.743273|1.367270|12.456013|5.720592|4.954939|7.631924|0.144939|8.980049|17.629566|4.133709|3.305929|5.888338|3.719834|2.335028|2.474024|2.697712|0.106453|0.161387|0.111724|0.093346|0.122980|0.083787|0.078375|0.060949|0.055659|0.044477|0.040619|0.048585|0.036929|0.036294|0.037444|0.144884|0.127455|0.109151|0.130045|0.213129|0.214266|0.500000| |3.526171|3.594690|3.671328|2.982019|20.487720|3.830106|4.595267|6.902880|10.154019|5.000750|5.296984|30.779130|3.106792|2.690164|4.926571|3.101296|1.989982|1.944768|1.710653|1.564374|1.591073|1.771887|1.399346|12.216968|7.116949|5.806173|9.409887|0.209253|8.852669|17.526163|4.621361|3.901265|7.430445|4.177771|2.628469|2.693605|2.453118|0.084888|0.115591|0.090751|0.083772|0.111926|0.082289|0.081873|0.061735|0.058445|0.046233|0.041117|0.048986|0.037455|0.037242|0.038519|0.212447|0.144330|0.130819|0.134023|0.215068|0.173057|0.303448|0.500000| |3.389706|3.369087|2.854090|2.389480|14.871403|2.377729|2.857020|3.233553|3.906243|2.397050|3.013738|15.039777|1.797940|1.625555|2.917159|2.004532|1.339991|1.311587|1.199978|1.128400|1.148102|1.243570|1.038963|5.795075|4.711853|7.369719|12.283466|0.184078|6.450280|4.448202|17.646155|8.764643|10.802947|9.841908|4.698683|5.608974|2.172381|0.079350|0.098379|0.102930|0.085865|0.111800|0.049016|0.049418|0.040691|0.038333|0.032671|0.030348|0.034713|0.028047|0.028031|0.028634|0.115530|0.114062|0.191385|0.223376|0.159087|0.190288|0.105715|0.110491|0.500000| |2.963390|2.867009|2.553621|2.164299|13.936308|2.266146|2.662707|3.112769|3.944693|2.410353|2.956686|15.612514|1.833616|1.677977|3.056076|2.051819|1.376541|1.361047|1.244400|1.161446|1.172851|1.267668|1.069439|5.475265|4.175889|5.633396|12.343891|0.211433|7.478108|4.764732|17.600624|8.864702|11.394537|9.138295|4.804544|6.018293|1.948891|0.071129|0.089586|0.086990|0.072069|0.091341|0.049781|0.049683|0.041245|0.040106|0.034072|0.030863|0.035121|0.028862|0.028723|0.029609|0.109311|0.097409|0.142985|0.149377|0.229329|0.192098|0.114906|0.123734|0.301414|0.500000| |1.899550|1.946741|1.815900|1.619459|10.776351|1.694665|1.883755|2.105291|2.787785|1.808785|2.261845|12.287212|1.495674|1.410767|2.590278|1.752369|1.200171|1.201510|1.115718|1.044397|1.044908|1.113270|0.973632|3.327271|2.746425|3.297164|5.137895|0.112604|3.057220|2.612155|4.679036|7.043140|12.012177|12.067892|17.719845|8.644664|1.497237|0.047653|0.054703|0.054598|0.051350|0.060505|0.039890|0.041262|0.035054|0.035318|0.030837|0.027598|0.030660|0.026120|0.026369|0.027151|0.078697|0.069662|0.101375|0.084102|0.087640|0.078687|0.064834|0.074609|0.114622|0.125810|0.500000| |1.878845|1.937094|1.779259|1.596781|10.481915|1.618718|1.803132|1.968728|2.558173|1.674316|2.130971|11.208036|1.387080|1.302298|2.366375|1.632453|1.118773|1.112718|1.036685|0.977631|0.982973|1.046145|0.913730|3.095125|2.572544|3.129371|4.559037|0.094717|2.729570|2.345522|4.189522|5.828588|9.188985|12.198018|17.741096|8.587472|1.498518|0.047220|0.053087|0.054724|0.051997|0.060227|0.037225|0.038541|0.032885|0.032465|0.028553|0.026091|0.028963|0.024564|0.024832|0.025398|0.071782|0.067210|0.098171|0.082965|0.075810|0.072946|0.058640|0.065281|0.112836|0.108292|0.291058|0.500000| |2.077810|2.061917|1.847556|1.644144|10.637849|1.641508|1.851188|2.020578|2.591040|1.681797|2.142225|11.149034|1.376187|1.286131|2.331863|1.611459|1.102011|1.093596|1.017950|0.960877|0.967793|1.031206|0.897647|3.234293|2.570639|3.206737|4.924941|0.095964|3.083169|2.509121|5.014051|5.733510|7.795866|12.103442|8.554282|17.740976|1.548680|0.052002|0.059066|0.062029|0.055057|0.063729|0.037381|0.037864|0.032522|0.031883|0.028002|0.025705|0.028598|0.024260|0.024299|0.024911|0.069109|0.066220|0.093948|0.089448|0.087536|0.085791|0.063830|0.067626|0.144135|0.141483|0.169852|0.207003|0.500000| |2.094584|2.064900|1.882417|1.664234|10.921209|1.716685|1.932826|2.161944|2.822890|1.814346|2.270612|12.190298|1.480089|1.388891|2.542990|1.724924|1.178717|1.176890|1.092002|1.023598|1.026160|1.094568|0.953923|3.486889|2.735801|3.373069|5.638563|0.114200|3.550647|2.828631|5.845200|6.845439|9.323681|11.938234|8.666186|17.691516|1.543026|0.052320|0.060959|0.061466|0.054084|0.063787|0.040013|0.040393|0.034582|0.034555|0.030137|0.027127|0.030204|0.025743|0.025728|0.026552|0.075084|0.068400|0.096516|0.090353|0.106315|0.094654|0.071652|0.077850|0.145889|0.185265|0.212656|0.170577|0.291166|0.500000| |3.864235|4.820726|5.783906|8.889215|45.343002|4.390632|4.348543|3.320018|3.890569|2.913835|4.690504|16.561930|2.340371|1.979218|3.232283|2.598052|1.682941|1.532253|1.391405|1.363694|1.469290|1.638429|1.235659|4.040515|2.866405|2.533974|2.967616|0.057315|2.228903|2.449780|1.949098|1.795263|3.201990|2.259644|1.488841|1.504543|17.558491|0.114303|0.094041|0.094027|0.152575|0.112372|0.067997|0.069157|0.056837|0.042661|0.036367|0.039778|0.048507|0.033599|0.033829|0.032896|0.072385|0.091269|0.066371|0.074317|0.055315|0.064475|0.067307|0.062995|0.056214|0.050495|0.040147|0.040332|0.041070|0.040783|0.500000| 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