Version2.1 2020-12-14T22:52:36Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 27-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCSc1nc(c2c3c(sc2n1)COC(C3)(C)C)N4CC[NH+](CC4)CC(=O)N5CCCC5 C34749977 RHF 6-31G(d) (6D,7F) CCCSc1nc(c2c3c(sc2n1)COC(C3)(C)C)N4CC[NH+](CC4)CC(=O)N5CCCC5 C01[X(C24H36N5O2S2)] 201 C1 575 CCCSc1nc(N2CC[NH+](CC2)CC(=O)N2CCCC2)c2c(n1)sc1c2CC(OC1)(C)C CCCSc1nc(N2CC[NH+](CC2)CC(=O)N2CCCC2)c2c(n1)sc1c2CC(OC1)(C)C CCCSc1nc2sc3COC(C)(C)Cc3c2c(n1)N4CC[NH+](CC4)CC(=O)N5CCCC5 InChIKey=ASNNGNGCJGBMEH-UHFFFAOYSA-O InChI=1S/C24H35N5O2S2/c1-4-13-32-23-25-21(20-17-14-24(2,3)31-16-18(17)33-22(20)26-23)29-11-9-27(10-12-29)15-19(30)28-7-5-6-8-28/h4-16H2,1-3H3/p+1 InChI=1/C24H35N5O2S2/c1-4-13-32-23-25-21(20-17-14-24(2,3)31-16-18(17)33-22(20)26-23)29-11-9-27(10-12-29)15-19(30)28-7-5-6-8-28/h4-16H2,1-3H3/p+1/fC24H36N5O2S2/h27H/q+1 CCCSc1nc(c2c3c(sc2n1)COC(C3)(C)C)N4CC[NH+](CC4)CC(=O)N5CCCC5 C01[X(C24H36N5O2S2)] 201 C01 575 CCCSc1nc(N2CC[NH+](CC2)CC(=O)N2CCCC2)c2c(n1)sc1c2CC(OC1)(C)C CCCS[C]1[N][C]([C]2[C]([N]1)SC1=[C]2CC(OC1)(C)C)N1CC[NH](CC1)C[C]([N]1CCCC1)=O CCCS[C]1[N][C]2SC3=C(CC(C)(C)OC3)[C]2[C]([N]1)N4CC[NH](CC4)CC(=O)N5CCCC5 InChIKey=LFUQJHSLGPUQOU-UHFFFAOYSA-N InChI=1S/C24H36N5O2S2/c1-4-13-32-23-25-21(20-17-14-24(2,3)31-16-18(17)33-22(20)26-23)29-11-9-27(10-12-29)15-19(30)28-7-5-6-8-28/h27H,4-16H2,1-3H3 InChI=1/C24H36N5O2S2/c1-4-13-32-23-25-21(20-17-14-24(2,3)31-16-18(17)33-22(20)26-23)29-11-9-27(10-12-29)15-19(30)28-7-5-6-8-28/h27H,4-16H2,1-3H3 3806.6395360901 -2146.6230049 1-A 26223.5611 131 444 575 |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| -92.05482 -92.01571 -20.67027 -20.64003 -15.84031 -15.72270 -15.70183 -15.65784 -15.65587 -11.49700 -11.44991 -11.43826 -11.43195 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2108.13 2109.81 2119.77 2142.66 2155.80 2171.58 2182.19 2195.99 2199.12 2200.64 2221.14 2228.22 2242.93 2247.52 2249.66 2256.44 2264.19 2274.47 2283.53 2326.97 2335.52 2338.09 2341.21 2348.89 2350.37 2356.20 2356.57 2357.28 2363.33 2364.17 2367.92 2368.42 2371.74 2378.51 2379.81 2379.90 2392.81 2396.41 2400.09 2415.10 2464.23 2546.79 2589.90 2739.20 4557.46 4593.75 4611.95 4612.66 4617.23 4622.53 4626.49 4629.87 4633.28 4654.43 4660.81 4664.64 4680.53 4681.63 4699.80 4702.51 4707.50 4707.56 4711.13 4713.43 4714.16 4716.49 4721.21 4723.97 4739.54 4746.26 4747.54 4755.27 4780.74 4782.79 4785.43 4793.85 4800.37 4804.02 4820.69 5152.08 0.638639 0.669258 0.670202 0.573743 -2145.984366 -2145.953747 -2145.952803 -2146.049262 3.235251D-04 MUNgauss RevisionA2.0 retrievium 14-Dec-2020 DUDE CCCSc1nc(c2c3c(sc2n1)COC(C3)(C)C)N4CC[NH+](CC4)CC(=O)N5CCCC5 C34749977 RHF 6-31G(d) (6D,10F) C1 490.231044 |X|Y|Z| 134.778108 86.488127 24.043013 65.441751 26 6 7 8 16 19 5 1 1 |36.858105| |12.460745|36.858105| |7.544649|12.456733|36.858105| |4.607432|6.959765|10.457268|388.023441| |3.582012|4.578220|6.818995|77.140315|36.858105| |2.910460|3.610295|4.724276|52.067812|14.268710|53.358707| |2.510422|2.966546|3.760543|35.295994|8.374988|19.851278|36.858105| |2.486117|2.838571|3.644687|30.510837|7.088279|10.965681|13.597130|36.858105| |2.146527|2.370596|2.920140|23.051218|4.621329|6.855308|7.212948|13.054662|36.858105| |2.174813|2.342369|2.884075|21.424610|4.123964|5.593808|5.158702|8.236067|14.246442|36.858105| |2.648459|2.827588|3.636518|25.288053|4.934859|5.924533|4.895546|7.319342|7.318900|10.881691|388.023441| |2.923064|3.320701|4.524522|35.012313|8.584425|9.804487|8.158722|13.658812|8.056036|7.709304|78.038030|36.858105| |3.619578|4.309801|6.575340|50.696123|14.559466|11.038834|6.990324|7.886580|5.238828|5.050861|50.415603|14.415152|53.358707| |1.898866|2.002447|2.382867|17.346640|3.114156|4.244686|3.741181|5.070362|7.610151|12.678205|47.532378|4.825231|4.965009|36.858105| |1.709291|1.814131|2.123195|15.840390|2.798996|3.969287|3.559252|4.536057|6.921482|7.983131|33.533883|3.980583|4.246634|13.657969|73.516695| |1.692592|1.820776|2.127681|16.328232|2.904343|4.273755|3.952135|4.876025|7.574650|6.861684|30.100719|3.967947|4.260462|7.934650|23.929197|36.858105| |1.851464|2.033345|2.416939|19.244082|3.585534|5.547824|5.625019|7.133868|12.619979|7.714741|33.524147|4.982513|5.148604|6.507373|14.113644|12.360782|36.858105| |1.692200|1.812348|2.107069|16.015612|2.801337|4.054374|3.618815|4.352962|5.986286|5.773558|28.367731|3.722920|4.107494|6.497088|13.904163|12.435631|7.490388|36.858105| |1.502316|1.610163|1.844219|14.185749|2.435913|3.615428|3.241654|3.692488|4.976639|4.536996|22.778792|3.080683|3.477369|5.218683|14.548850|12.498022|7.567940|7.610190|36.858105| |2.152474|2.508173|3.010139|27.635386|5.361820|11.181039|13.447702|7.746134|5.993649|4.275848|26.771934|5.196681|6.265173|3.365310|6.078414|3.979544|5.807823|3.570132|3.446876|53.358707| |2.112854|2.495094|2.902856|27.603960|4.781021|9.738203|7.885238|5.151918|4.191415|3.282478|21.620137|4.030140|5.298921|2.711346|4.890285|3.166432|4.163782|2.985689|2.860157|17.825469|36.858105| |1.810435|2.087338|2.358224|21.141708|3.470970|6.226769|5.134094|3.955979|3.572973|2.861125|18.288784|3.171462|4.096249|2.477472|4.625054|3.050829|3.866591|2.873708|2.903872|10.718548|12.545199|36.858105| |1.695542|1.932996|2.171019|18.994978|3.103219|5.380570|4.496690|3.641754|3.406999|2.755874|17.401870|2.939861|3.756477|2.427273|4.614087|2.991300|3.776878|2.698811|2.949656|9.078877|7.690533|12.668189|53.358707| |1.733823|1.989645|2.217400|19.626433|3.124928|5.396585|4.282038|3.422661|3.117938|2.573699|16.711827|2.842537|3.721675|2.258642|4.221529|2.664818|3.313845|2.416057|2.605302|8.095331|7.175177|9.381671|25.518580|0.500000| |1.727637|1.953630|2.233492|19.184103|3.281756|5.657511|5.131142|4.329440|4.208023|3.286701|19.917665|3.344074|4.098903|2.870647|5.570759|3.631006|4.861575|3.089304|3.576754|10.640586|6.629202|7.706774|17.326491|0.255481|36.858105| |1.988478|2.281785|2.686874|23.729027|4.340610|7.972482|7.942954|6.082764|5.332566|3.969839|24.452939|4.409420|5.318386|3.246316|6.033376|3.826613|5.484185|3.238449|3.487227|17.812921|7.965444|6.660670|10.484587|0.196295|12.535053|36.858105| |1.500929|1.686625|1.860435|15.800220|2.504388|4.128259|3.365256|2.898097|2.821075|2.361452|14.900414|2.419797|3.103018|2.153617|4.152568|2.683765|3.196758|2.452538|2.763269|6.096266|4.992976|7.663484|17.441826|0.265736|7.627354|4.981742|36.858105| |1.460868|1.645075|1.783026|15.169824|2.314373|3.750701|2.909953|2.495947|2.378283|2.040831|13.276388|2.154290|2.836477|1.864126|3.525015|2.223828|2.588850|2.072887|2.262175|4.981956|4.299610|5.985702|10.660897|0.229157|5.118895|3.945329|12.413771|36.858105| |1.554893|1.768460|1.909921|16.525454|2.480279|4.046564|3.049488|2.557573|2.372904|2.040411|13.525779|2.229211|2.985402|1.839454|3.424718|2.133892|2.508599|1.991293|2.126425|5.157894|4.624228|5.962873|10.126801|0.267759|4.904288|4.078054|8.113404|15.740596|73.516695| |1.333257|1.486522|1.594364|13.307655|2.003817|3.168205|2.442561|2.151313|2.081607|1.818327|11.860196|1.887204|2.488825|1.688476|3.201066|2.008835|2.272369|1.894163|2.072954|4.028836|3.377804|4.436829|7.095346|0.145901|3.913542|3.132124|7.789489|14.420459|15.063849|53.358707| |1.281198|1.425366|1.507765|12.506817|1.838317|2.857996|2.151898|1.904606|1.827900|1.621181|10.760927|1.704862|2.280432|1.508512|2.826938|1.748250|1.954670|1.663961|1.788866|3.433693|2.883985|3.540198|5.344436|0.115020|3.104506|2.636312|4.977033|7.844652|12.170520|17.592372|36.858105| |1.174454|1.294528|1.364056|11.138486|1.636285|2.509083|1.897893|1.711623|1.665848|1.492417|9.880526|1.542077|2.054868|1.406577|2.646225|1.635683|1.792915|1.571573|1.691838|2.982147|2.451254|2.963685|4.337838|0.089683|2.641581|2.262544|4.005684|5.277726|8.035478|11.038714|12.471857|36.858105| |1.146845|1.258379|1.336222|10.842901|1.618778|2.484483|1.913805|1.746250|1.728019|1.545586|10.087733|1.560538|2.053403|1.469973|2.800811|1.739750|1.893813|1.658756|1.833283|3.030668|2.428800|2.974393|4.486920|0.089846|2.800995|2.332854|4.363133|5.243219|7.428337|11.046060|7.930231|12.445178|36.858105| |1.241364|1.370649|1.471551|12.080910|1.833773|2.864004|2.240434|2.022690|2.004035|1.762764|11.359480|1.775040|2.315370|1.664369|3.195337|2.016425|2.231054|1.908356|2.129425|3.654492|2.950961|3.818352|5.941012|0.114640|3.553441|2.825879|6.524729|7.631649|9.358990|17.649586|7.780584|7.929970|12.448362|36.858105| |17.566113|8.802640|5.490481|27.642346|3.050678|3.496492|2.236270|2.196058|1.920876|1.937215|16.368013|2.518023|4.120500|1.713989|2.771469|1.548082|1.683721|1.549764|1.388092|2.663899|1.944576|1.688017|2.158140|0.045173|1.602608|1.820803|1.415908|1.389454|2.631496|1.735832|1.234115|1.134307|1.103517|1.187411|0.500000| |17.548883|8.769971|6.838439|30.307993|3.488536|3.856965|2.478298|2.489713|2.163852|2.216148|19.422327|2.956110|4.939370|1.939469|3.088340|1.701080|1.857312|1.684290|1.510288|2.887107|2.052038|1.763913|2.276079|0.047537|1.721850|1.988871|1.480427|1.436027|2.713565|1.782981|1.256621|1.151592|1.128962|1.221622|0.301794|0.500000| |17.548895|8.769989|6.838369|30.306422|3.489631|3.857299|2.480153|2.496529|2.174942|2.227588|19.480985|2.961470|4.937764|1.952753|3.101850|1.725969|1.870885|1.745751|1.523505|2.885104|2.069945|1.780077|2.254860|0.046659|1.692116|1.939936|1.470997|1.423612|2.674577|1.773424|1.248004|1.149669|1.126129|1.220248|0.301795|0.301414|0.500000| |8.851516|17.542369|8.848267|46.772342|4.290940|4.774001|2.874283|2.703563|2.263347|2.215603|18.639397|3.089211|5.339506|1.902546|3.095991|1.748361|1.961724|1.721141|1.560905|3.363194|2.479034|2.081580|2.653668|0.056385|1.961719|2.288112|1.701159|1.674015|3.227102|2.055637|1.456044|1.315674|1.273994|1.383663|0.212989|0.210714|0.172882|0.500000| |8.851452|17.542559|8.848255|46.767247|4.293006|4.774668|2.877179|2.712258|2.275978|2.226970|18.690993|3.095311|5.337538|1.915007|3.109525|1.775245|1.977642|1.786443|1.575419|3.360069|2.510602|2.108122|2.620431|0.054945|1.918364|2.214936|1.686990|1.654569|3.162521|2.041129|1.442775|1.312829|1.269956|1.381684|0.212986|0.172881|0.210713|0.303383|0.500000| |6.852328|8.794270|17.623995|56.487892|6.468672|6.152030|3.730474|3.746167|3.034767|3.049203|28.049915|4.782103|9.364865|2.515974|3.932190|2.216024|2.488619|2.233812|1.899185|4.034951|2.831465|2.316404|2.873199|0.059081|2.179835|2.601687|1.818836|1.729021|3.257288|2.114069|1.462844|1.332650|1.310841|1.445564|0.140206|0.168644|0.203330|0.173195|0.211124|0.500000| |6.852943|8.794311|17.624860|56.489970|6.461145|6.150218|3.723995|3.723207|3.004896|3.020142|27.876604|4.759615|9.375467|2.487847|3.904847|2.164208|2.456991|2.109531|1.873822|4.040226|2.786140|2.281129|2.917226|0.060887|2.244234|2.722911|1.836632|1.751265|3.328100|2.130191|1.476681|1.335601|1.315265|1.447801|0.140213|0.203352|0.168663|0.211108|0.173196|0.302393|0.500000| |1.880189|1.964394|2.321202|16.639276|2.926600|3.931708|3.370892|4.414283|6.016352|8.917710|43.323466|4.369651|4.664992|17.522113|16.482467|6.727487|5.312039|6.837363|4.650318|4.126378|2.517604|2.311201|3.031540|0.057653|2.563072|2.852995|1.997907|1.746304|3.060654|2.170394|1.432832|1.344765|1.401199|1.577807|0.047212|0.053048|0.054318|0.051386|0.052531|0.069155|0.066597|0.500000| |1.868793|1.948294|2.301697|16.450272|2.892140|3.879038|3.324195|4.349947|5.866013|8.896973|44.057844|4.340711|4.631161|17.598622|17.003414|5.821390|5.077811|4.820246|4.425498|4.079088|2.452570|2.248724|3.047589|0.058605|2.640991|2.978430|2.001083|1.750718|3.084008|2.167060|1.432205|1.336368|1.395662|1.567646|0.046923|0.053605|0.053197|0.051679|0.051316|0.066949|0.067766|0.302473|0.500000| |1.775089|1.949297|2.294899|18.353505|3.354235|5.243583|5.215257|6.104520|8.895682|6.202697|29.477109|4.415255|4.728564|5.508965|12.318613|8.877338|17.518604|5.526441|7.388170|7.806772|4.101088|3.916933|5.572473|0.099530|5.709998|6.258850|3.459593|2.750687|4.716321|3.262090|2.044019|1.863299|1.985375|2.351379|0.045049|0.049755|0.049361|0.052879|0.052410|0.064536|0.065418|0.123091|0.130457|0.500000| |1.833259|2.032492|2.399797|19.564451|3.608365|5.802687|5.930076|6.630025|8.897271|5.829629|29.033333|4.593262|4.965777|4.957856|10.173355|8.799345|17.566826|7.123366|6.569080|9.166232|4.871075|4.629643|5.850570|0.101355|5.364778|5.774318|3.597053|2.853315|4.866224|3.384271|2.112352|1.934118|2.041502|2.441627|0.046496|0.050559|0.051467|0.054449|0.055580|0.068678|0.066570|0.122231|0.111375|0.302312|0.500000| |1.589609|1.681540|1.932469|14.418705|2.460514|3.495520|3.023240|3.573745|4.677072|4.858414|25.343328|3.204679|3.625237|6.028523|12.857172|8.838705|5.480047|17.573659|6.879373|4.046549|2.552600|2.482093|3.214975|0.059398|2.669336|2.762790|2.189076|1.876569|3.201848|2.363454|1.538533|1.466011|1.550274|1.762729|0.040619|0.044066|0.045694|0.044367|0.046019|0.056970|0.053912|0.190471|0.130721|0.123895|0.142499|0.500000| |1.632299|1.759304|2.026819|15.654667|2.700460|3.990932|3.542012|4.018471|5.121099|4.612115|24.343473|3.381885|3.842043|4.806097|10.078228|8.813036|6.680630|17.557654|7.048076|4.956907|3.129022|3.099304|3.890003|0.070047|3.202854|3.249588|2.629628|2.203290|3.721067|2.749993|1.761527|1.671159|1.770035|2.052806|0.041748|0.044825|0.046670|0.046540|0.048600|0.059442|0.055774|0.137294|0.105993|0.142633|0.206187|0.301361|0.500000| |1.846225|1.979631|2.331362|17.589705|3.125660|4.436294|3.936933|4.912797|6.619004|6.683860|33.432453|4.317360|4.682411|6.876603|12.062233|8.698041|6.894743|17.581823|5.498072|5.023763|3.081265|2.864200|3.584974|0.066256|2.974357|3.232120|2.353390|2.017433|3.491310|2.497201|1.625007|1.527173|1.593499|1.825100|0.046630|0.050879|0.053312|0.051686|0.054225|0.069706|0.064529|0.216682|0.137916|0.139100|0.184001|0.300996|0.302384|0.500000| |1.481019|1.586825|1.813923|13.957820|2.388970|3.549587|3.173031|3.582560|4.737902|4.330207|22.107810|2.999448|3.402598|4.911073|13.383056|8.840272|6.879956|5.523607|17.574262|4.625809|2.801391|2.849223|4.084660|0.074174|3.749827|3.621271|2.816794|2.299766|3.846821|2.859997|1.811119|1.704905|1.856333|2.153248|0.038052|0.041589|0.041463|0.043026|0.042888|0.051388|0.051627|0.116580|0.122554|0.220569|0.159138|0.141901|0.141962|0.122818|0.500000| |1.468197|1.583275|1.803140|14.065047|2.395093|3.619298|3.239505|3.534542|4.514687|3.936265|20.671668|2.909930|3.344350|4.216376|10.292978|8.803543|6.909058|6.829373|17.538346|4.879272|3.037140|3.194145|4.393017|0.077528|3.856702|3.586003|3.080736|2.471414|4.062213|3.090021|1.932678|1.834569|2.005410|2.362421|0.037818|0.040758|0.041292|0.042718|0.043331|0.051456|0.050434|0.107772|0.100441|0.187705|0.193988|0.165631|0.207787|0.140659|0.299660|0.500000| |1.422303|1.509900|1.715232|12.993452|2.192023|3.193795|2.785522|3.161040|4.109073|3.991602|20.866526|2.745057|3.149123|4.857334|12.982188|8.842593|5.501000|7.044162|17.587502|3.952014|2.479820|2.516858|3.456153|0.063195|2.978483|2.912624|2.420961|2.026635|3.392212|2.565278|1.645723|1.573164|1.703793|1.950227|0.036623|0.039739|0.040225|0.040574|0.041088|0.049276|0.048393|0.126912|0.117660|0.146394|0.137403|0.209382|0.178481|0.141690|0.301726|0.300811|0.500000| |2.202623|2.641445|3.040052|29.976428|4.894130|9.869918|6.814153|4.558180|3.659908|2.974725|20.324201|3.789649|5.222397|2.471751|4.404377|2.763526|3.529099|2.594528|2.521098|12.214933|17.522913|8.843276|9.373742|0.209869|5.798962|7.122982|4.622495|4.299749|8.832936|4.559730|2.942446|2.451985|2.383867|2.842712|0.056501|0.059427|0.059089|0.074296|0.073643|0.080203|0.081046|0.063756|0.063296|0.098633|0.109006|0.062809|0.074347|0.074527|0.069622|0.073276|0.061535|0.500000| |2.204383|2.620869|3.051475|29.340716|4.991361|9.857458|7.319850|4.993261|4.027564|3.222371|21.683435|4.055696|5.456068|2.661896|4.728024|3.067203|3.910883|3.014217|2.729500|12.454227|17.644309|8.978471|7.621115|0.145776|4.948374|5.722926|4.143578|3.702640|6.982321|4.140927|2.658388|2.307955|2.267263|2.708205|0.056283|0.058692|0.060521|0.071240|0.074563|0.084073|0.079374|0.070033|0.066387|0.102485|0.128454|0.071574|0.088551|0.088247|0.072800|0.080471|0.066647|0.303673|0.500000| |1.756462|2.027092|2.245392|20.099438|3.141255|5.438667|4.191341|3.318869|3.000254|2.485650|16.275390|2.781323|3.688349|2.183687|4.043125|2.621080|3.185477|2.519533|2.520641|7.700855|8.828789|17.646120|12.389022|0.229284|5.630828|4.986083|7.175850|6.723546|12.347369|6.776892|4.034540|3.304101|3.197397|4.085675|0.045877|0.047257|0.047860|0.056427|0.057454|0.061039|0.059805|0.057271|0.055580|0.089081|0.103186|0.061539|0.075517|0.070038|0.068649|0.076692|0.061937|0.214906|0.212560|0.500000| |1.733482|1.974610|2.234802|19.501634|3.242505|5.635721|4.835601|3.950756|3.739011|2.972593|18.480451|3.130509|3.947363|2.609757|4.957889|3.382109|4.255487|3.234505|3.247057|9.689003|8.827707|17.624713|12.390267|0.182245|7.010941|5.858198|7.023496|5.163210|8.484670|5.615061|3.268229|2.852919|2.937441|3.801800|0.044867|0.046916|0.047796|0.054125|0.055481|0.061949|0.060071|0.068054|0.064880|0.116905|0.149634|0.076671|0.099954|0.088274|0.086543|0.102266|0.077576|0.173170|0.214766|0.298608|0.500000| |1.636496|1.834666|2.075105|17.487084|2.919033|4.835550|4.200298|3.710112|3.676507|2.993202|18.339259|2.989535|3.700304|2.679009|5.223725|3.291801|4.186958|2.773276|3.344529|7.670783|4.977345|5.619425|12.379552|0.223038|17.618936|8.827345|7.072540|5.017687|8.514808|5.329032|3.126122|2.654348|2.852596|3.571133|0.042359|0.045602|0.044343|0.051558|0.049770|0.055914|0.058493|0.066221|0.069940|0.140620|0.121367|0.068030|0.078811|0.073654|0.100692|0.098494|0.078495|0.130805|0.109062|0.126968|0.143123|0.500000| |1.656241|1.854765|2.121166|17.860965|3.073611|5.174464|4.806331|4.309833|4.485419|3.459561|20.145760|3.287824|3.937346|3.086736|6.202965|4.242935|5.727363|3.548520|4.311172|9.550836|5.784442|6.971661|12.404334|0.180338|17.630185|8.827033|7.014269|4.573466|7.411934|5.028421|2.914313|2.560903|2.772290|3.543336|0.042672|0.045793|0.045459|0.051226|0.050763|0.058346|0.059054|0.076586|0.077532|0.189519|0.184613|0.084008|0.104319|0.092303|0.124201|0.134710|0.096787|0.133430|0.129288|0.143031|0.209048|0.299624|0.500000| |1.975820|2.234391|2.653552|22.538438|4.207741|7.187419|7.372785|6.768534|6.437075|4.680072|27.497161|4.798124|5.483724|3.777289|7.080890|4.383987|6.563517|3.508255|3.920130|12.398925|5.714724|4.967571|7.636906|0.143897|8.983652|17.655087|4.134954|3.325731|5.998044|3.736991|2.342128|2.051230|2.136825|2.546353|0.050028|0.055468|0.053753|0.061924|0.059579|0.071880|0.076127|0.089120|0.096687|0.228687|0.172622|0.082974|0.094793|0.096523|0.116326|0.107933|0.089460|0.144561|0.127429|0.109276|0.130786|0.212820|0.215488|0.500000| |2.061219|2.388513|2.792565|25.121543|4.425677|8.035020|6.887918|5.208059|4.387781|3.484209|22.758869|4.123385|5.256457|2.876245|5.222750|3.189348|4.267915|2.762368|2.937081|12.278322|7.169477|5.820480|9.385070|0.206354|8.856102|17.453684|4.608628|3.931326|7.623024|4.219056|2.670914|2.255623|2.288012|2.724093|0.052544|0.057464|0.055139|0.067673|0.063983|0.073390|0.079137|0.070910|0.075063|0.132256|0.121483|0.066927|0.076497|0.077388|0.085228|0.082990|0.069996|0.213779|0.145373|0.130864|0.134558|0.215621|0.173272|0.302742|0.500000| |1.461267|1.634618|1.802915|15.180827|2.412961|3.944611|3.242192|2.840733|2.815087|2.358885|14.734612|2.368512|3.016629|2.172924|4.225686|2.785696|3.261387|2.592407|2.901952|5.803325|4.729680|7.441105|12.311492|0.185679|6.386888|4.435369|17.642862|8.666643|10.774334|9.486356|4.576332|3.955878|4.418768|6.839245|0.038298|0.039902|0.040047|0.045434|0.045648|0.049461|0.049187|0.056500|0.055570|0.095903|0.104624|0.064172|0.078919|0.068498|0.080522|0.092255|0.070781|0.116234|0.114422|0.195512|0.223455|0.156662|0.187499|0.105327|0.110162|0.500000| |1.437362|1.601834|1.766038|14.756074|2.346088|3.798420|3.122791|2.770922|2.759568|2.332108|14.582145|2.325305|2.956299|2.156935|4.211600|2.694132|3.168246|2.410280|2.844257|5.494290|4.180587|5.649139|12.341974|0.209757|7.538237|4.769428|17.607746|8.840742|11.389732|9.178664|4.535833|3.777240|4.326865|6.268335|0.037677|0.039634|0.039112|0.044954|0.044201|0.047932|0.048898|0.055174|0.056143|0.098106|0.096312|0.060260|0.071045|0.063511|0.082450|0.087679|0.069153|0.109315|0.097499|0.143305|0.150117|0.228705|0.196302|0.115271|0.123043|0.301524|0.500000| |1.266791|1.406675|1.484179|12.260541|1.795261|2.774460|2.081670|1.849831|1.773924|1.581042|10.539004|1.665048|2.232229|1.472401|2.753799|1.686188|1.884906|1.591893|1.725658|3.290986|2.716890|3.232409|5.027673|0.111274|3.009799|2.579624|4.521557|6.786891|11.523218|12.348166|17.587042|8.736327|6.599540|6.182290|0.033940|0.034650|0.034146|0.040132|0.039360|0.039797|0.040598|0.038712|0.039078|0.055187|0.055901|0.041002|0.046406|0.043210|0.048956|0.051325|0.044143|0.078239|0.068955|0.099421|0.082118|0.086440|0.077338|0.064123|0.073830|0.111322|0.120440|0.500000| |1.334932|1.493892|1.573187|13.163589|1.911188|2.976537|2.207288|1.932276|1.830254|1.622742|10.874871|1.737884|2.347221|1.498835|2.784650|1.721234|1.933478|1.651070|1.738271|3.502430|3.021785|3.665852|5.279337|0.115735|3.018275|2.633277|4.605257|7.155518|12.747085|12.321224|17.643974|8.666385|5.713224|5.864406|0.035782|0.036204|0.036062|0.042460|0.042234|0.042302|0.042529|0.039667|0.039460|0.055632|0.058249|0.042304|0.048538|0.045159|0.048585|0.051984|0.044432|0.086912|0.078268|0.120745|0.092276|0.082658|0.078114|0.064419|0.074716|0.118622|0.112179|0.301994|0.500000| |1.121846|1.231558|1.289442|10.450102|1.522063|2.310682|1.736074|1.575786|1.533317|1.385292|9.233197|1.433069|1.917840|1.309932|2.454657|1.503561|1.637545|1.445485|1.553232|2.688109|2.187649|2.570261|3.753192|0.078497|2.344300|2.045045|3.333692|4.239661|6.829906|7.906865|8.744727|17.609605|8.692582|5.662753|0.030205|0.030590|0.030460|0.034863|0.034671|0.034931|0.035127|0.034840|0.034747|0.047265|0.048629|0.037658|0.042442|0.039102|0.043595|0.046413|0.040349|0.061344|0.057479|0.078652|0.068573|0.066022|0.062942|0.051981|0.057110|0.090429|0.089293|0.218767|0.192668|0.500000| |1.176776|1.297593|1.364862|11.147815|1.632187|2.499518|1.884350|1.698578|1.650598|1.479828|9.816453|1.533083|2.047114|1.394191|2.616126|1.623992|1.773919|1.578169|1.672232|2.949480|2.449129|2.964448|4.166549|0.085033|2.529138|2.191517|3.763054|4.776244|7.389721|9.197633|8.833336|17.558261|8.815127|6.821804|0.031598|0.031926|0.032088|0.036502|0.036743|0.037179|0.036928|0.037222|0.036658|0.050679|0.053517|0.040897|0.046882|0.042712|0.046385|0.050533|0.043313|0.067515|0.065116|0.093326|0.080239|0.069228|0.068827|0.055140|0.060256|0.107115|0.095902|0.174167|0.220395|0.302059|0.500000| |1.119382|1.224626|1.299292|10.489862|1.565832|2.391551|1.843004|1.691562|1.678879|1.508537|9.853681|1.516848|1.994581|1.439610|2.745583|1.690504|1.835991|1.597362|1.789013|2.900361|2.288020|2.746605|4.248006|0.086198|2.723040|2.272652|4.054281|4.779202|6.988111|9.237793|6.832612|8.815230|17.564423|8.845479|0.029935|0.030725|0.030470|0.034540|0.034182|0.035310|0.035706|0.037986|0.038191|0.053937|0.054356|0.041612|0.046971|0.042565|0.050823|0.053940|0.046254|0.062899|0.058895|0.080454|0.074744|0.078928|0.074273|0.058343|0.062418|0.109840|0.117333|0.184710|0.137891|0.216801|0.173843|0.500000| |1.094855|1.195573|1.267598|10.204373|1.523209|2.320829|1.790582|1.650564|1.645912|1.481282|9.653876|1.480849|1.944648|1.419865|2.710942|1.684954|1.809544|1.620073|1.786393|2.807891|2.229950|2.698498|3.965946|0.078288|2.534765|2.136874|3.738680|4.199381|6.132969|7.907626|5.657943|8.666733|17.608279|8.743356|0.029293|0.029918|0.029965|0.033501|0.033567|0.034701|0.034628|0.037789|0.037426|0.052350|0.054176|0.042312|0.048208|0.043101|0.049966|0.054441|0.046496|0.060248|0.058587|0.079916|0.075586|0.071117|0.070970|0.054937|0.057735|0.109223|0.103156|0.134923|0.126261|0.196357|0.216306|0.301834|0.500000| |1.249453|1.379537|1.483628|12.179668|1.854544|2.899267|2.276109|2.058317|2.046505|1.796282|11.531711|1.801194|2.343615|1.698160|3.265018|2.084199|2.293664|2.000574|2.200095|3.716608|3.024297|3.979411|5.817268|0.108647|3.475475|2.791536|6.158773|6.520561|8.371252|12.292629|6.181278|6.619751|8.769235|17.545637|0.033169|0.034038|0.034263|0.038469|0.038794|0.040728|0.040351|0.044985|0.044119|0.066215|0.070733|0.051240|0.060549|0.053069|0.060906|0.068625|0.056068|0.079244|0.078514|0.119440|0.114418|0.093723|0.099024|0.069873|0.073510|0.204607|0.154431|0.135099|0.145384|0.135336|0.185140|0.174671|0.220121|0.500000| 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