Version2.1 2021-01-06T17:54:06Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 22-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+]1CCc2c(sc(c2C(=O)OC)NC(=O)[C@H]3CCCN3S(=O)(=O)c4ccc(cc4)F)C1 C08868858 RHF 6-31G(d) (6D,7F) CC[NH+]1CCc2c(sc(c2C(=O)OC)NC(=O)[C@H]3CCCN3S(=O)(=O)c4ccc(cc4)F)C1 C01[X(C22H27F1N3O5S2)] 174 C1 557 COC(=O)c1c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(cc2)F)sc2c1CC[NH+](C2)CC COC(=O)c1c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(cc2)F)sc2c1CC[NH+](C2)CC CC[NH+]1CCc2c(C1)sc(NC(=O)[C@H]3CCCN3[S](=O)(=O)c4ccc(F)cc4)c2C(=O)OC InChIKey=FNKDJCHAAWCSGV-QGZVFWFLSA-O InChI=1S/C22H26FN3O5S2/c1-3-25-12-10-16-18(13-25)32-21(19(16)22(28)31-2)24-20(27)17-5-4-11-26(17)33(29,30)15-8-6-14(23)7-9-15/h6-9,17H,3-5,10-13H2,1-2H3,(H,24,27)/p+1/t17-/m1/s1 InChI=1/C22H26FN3O5S2/c1-3-25-12-10-16-18(13-25)32-21(19(16)22(28)31-2)24-20(27)17-5-4-11-26(17)33(29,30)15-8-6-14(23)7-9-15/h6-9,17H,3-5,10-13H2,1-2H3,(H,24,27)/p+1/t17-/m1/s1/fC22H27FN3O5S2/h24-25H/q+1 CC[NH+]1CCc2c(sc(c2C(=O)OC)NC(=O)[C@H]3CCCN3S(=O)(=O)c4ccc(cc4)F)C1 C01[X(C22H27F1N3O5S2)] 174 C01 557 COC(=O)c1c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(cc2)F)sc2c1CC[NH+](C2)CC CC[NH]1CC[C]2=C(C1)S[C]([C]2C(=O)OC)NC(=O)[C@H]1CCCN1[S@]([O])(=O)[C]1[CH][CH][C]([CH][CH]1)F CC[NH]1CCC2=C(C1)S[C](NC(=O)[C@H]3CCCN3[S]([O])(=O)[C]4[CH][CH][C](F)[CH][CH]4)[C]2C(=O)OC InChIKey=GLFGWXOKFPAEGW-QGZVFWFLSA-N InChI=1S/C22H27FN3O5S2/c1-3-25-12-10-16-18(13-25)32-21(19(16)22(28)31-2)24-20(27)17-5-4-11-26(17)33(29,30)15-8-6-14(23)7-9-15/h6-9,17,25H,3-5,10-13H2,1-2H3,(H,24,27)/t17-/m1/s1 InChI=1/C22H27FN3O5S2/c1-3-25-12-10-16-18(13-25)32-21(19(16)22(28)31-2)24-20(27)17-5-4-11-26(17)33(29,30)15-8-6-14(23)7-9-15/h6-9,17,25H,3-5,10-13H2,1-2H3,(H,24,27)/t17-/m1/s1/f/h24H 3944.3002873719 -2280.6981963 1-A 22147.0048 130 427 557 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.27558 -92.08975 -26.38266 -20.70942 -20.64685 -20.63561 -20.62066 -20.61583 -15.85032 -15.70463 -15.66841 -11.48641 -11.45212 -11.44670 -11.44345 -11.44326 -11.43896 -11.40716 -11.38134 -11.37972 -11.37852 -11.37467 -11.37391 -11.37348 -11.34754 -11.34000 -11.33628 -11.33411 -11.33168 -11.31501 -11.31378 -11.31322 -11.30577 -9.24628 -9.09839 -6.93294 -6.93247 -6.93118 -6.78065 -6.77960 -6.77775 -1.70330 -1.57527 -1.54555 -1.50808 -1.49436 -1.46644 -1.42066 -1.37455 -1.34363 -1.29721 -1.25113 -1.22183 -1.20479 -1.15984 -1.15216 -1.13036 -1.11599 -1.11455 -1.10698 -1.07712 -1.05646 -1.03669 -1.02247 -0.99383 -0.96338 -0.93888 -0.92711 -0.92185 -0.90067 -0.89108 -0.88116 -0.86597 -0.84737 -0.84189 -0.83209 -0.82248 -0.81349 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2246.81 2247.05 2257.53 2272.82 2281.31 2293.97 2298.83 2335.96 2348.77 2353.56 2354.36 2356.34 2359.21 2367.46 2368.55 2370.74 2372.85 2396.01 2409.70 2421.90 2494.36 2567.15 2576.64 2596.42 2802.74 2871.51 4638.49 4639.25 4649.95 4653.79 4672.84 4683.75 4690.42 4696.63 4711.75 4722.79 4733.52 4739.62 4750.08 4757.20 4762.86 4764.90 4768.18 4799.31 4825.25 4828.88 4841.21 4894.57 4900.33 4915.61 4921.73 5301.86 5481.91 0.522830 0.552488 0.553433 0.457371 -2280.175367 -2280.145708 -2280.144764 -2280.240826 3.221935D-04 MUNgauss RevisionA2.0 retrievium 06-Jan-2021 DUDE CC[NH+]1CCc2c(sc(c2C(=O)OC)NC(=O)[C@H]3CCCN3S(=O)(=O)c4ccc(cc4)F)C1 C08868858 RHF 6-31G(d) (6D,10F) C1 496.137618 |X|Y|Z| 131.934776 58.899960 35.647273 65.187881 23 6 7 16 18 3 2 |36.858105| |12.522667|36.858105| |7.558417|12.652600|53.358707| |7.361914|9.286272|25.686470|0.500000| |5.986707|7.571501|17.231732|0.258507|36.858105| |4.304192|4.951360|10.382301|0.204383|12.500273|36.858105| |3.659494|4.421298|9.185469|0.182855|7.623250|12.630748|36.858105| |3.851165|5.022117|10.620044|0.199790|6.871176|7.680278|14.203111|36.858105| |2.927455|3.606164|6.373384|0.126673|4.231873|4.727779|7.370159|10.952554|388.023441| |2.616711|3.056036|5.386961|0.110192|3.979765|5.027807|8.155804|7.741221|78.176427|36.858105| |2.879831|3.321002|6.107096|0.125743|4.899710|7.204734|13.170797|8.235248|52.294010|13.855484|36.858105| |2.528800|2.786598|4.849195|0.101062|4.050208|5.877798|7.293446|5.111010|33.860399|7.683393|12.950514|36.858105| |2.187915|2.387373|3.999547|0.083283|3.235695|4.293011|5.149674|4.079882|29.673276|6.666073|8.073275|15.899129|73.516695| |2.671889|2.865916|4.960698|0.103912|4.403261|6.740122|6.635403|4.552418|27.623151|5.278013|8.158430|14.442045|15.337823|73.516695| |2.305023|2.406099|3.961551|0.083015|3.436773|4.651616|4.433857|3.395388|21.677944|3.955296|5.206265|8.132349|12.899752|23.739091|36.858105| |2.208226|2.512011|4.202050|0.086470|3.111482|3.780596|5.220806|5.010595|49.870204|13.976718|7.831459|6.504871|12.461626|8.003353|3.683264|53.358707| |2.012015|2.289392|3.701879|0.075654|2.670018|3.069420|4.016971|4.160242|43.876262|7.868320|5.151483|4.434651|8.490395|6.047614|2.923516|18.891863|36.858105| |2.072866|2.392535|3.829280|0.077716|2.677449|2.973611|3.888102|4.326326|50.069887|6.851673|4.586008|3.769446|6.830564|5.373933|2.587314|11.559898|15.975585|73.516695| |1.740702|1.939179|3.057930|0.062676|2.236543|2.546532|3.134877|3.145274|29.362087|5.075626|3.911676|3.732710|7.602244|5.277951|2.690652|10.574324|12.466460|14.146352|36.858105| |1.713674|1.890141|2.991901|0.061584|2.228463|2.583221|3.135231|3.028005|26.799656|4.942247|4.023477|4.095623|8.893979|5.719387|2.976475|10.383129|8.833004|10.416571|17.550425|0.500000| |1.629229|1.794840|2.784596|0.057734|1.998861|2.235680|2.686642|2.740707|25.050715|3.986726|3.203091|3.058467|6.065220|4.500654|2.330618|7.288859|7.525814|11.384169|12.358393|0.243208|36.858105| |1.455701|1.594234|2.430837|0.049990|1.757443|1.935623|2.264759|2.305025|20.276520|3.135186|2.630924|2.560048|5.061169|3.874620|2.049882|5.389106|5.130237|8.303344|7.876421|0.180723|12.451915|36.858105| |1.474743|1.631710|2.482665|0.050358|1.803714|1.970455|2.314455|2.376945|21.109007|3.207303|2.669893|2.560740|5.003749|3.873086|2.032728|5.445958|5.331264|8.900169|7.788020|0.169242|7.954076|12.482565|36.858105| |1.621843|1.810910|2.805183|0.056654|2.060386|2.290879|2.754846|2.799896|25.484894|4.085343|3.289804|3.139480|6.232908|4.601169|2.377704|7.422412|7.750131|11.475341|13.077555|0.251145|8.123157|8.153171|12.962569|53.358707| |1.615166|1.808827|2.795034|0.055611|2.099997|2.328920|2.760137|2.759493|24.028684|3.882408|3.269975|3.175165|6.273826|4.708895|2.450050|6.592615|5.795107|8.878778|7.059899|0.180793|4.862172|4.965589|7.006217|15.926653|388.023441| |1.537598|1.725847|2.618964|0.051699|1.950486|2.106091|2.454056|2.510731|21.591095|3.243952|2.780768|2.649537|5.053268|4.053209|2.113214|5.133825|4.490214|7.652305|5.019962|0.124818|3.991656|4.293285|6.340210|10.517269|95.014648|73.516695| |1.804499|2.040873|3.221584|0.063674|2.463353|2.794133|3.397827|3.324594|28.943544|5.017781|4.184550|4.032204|7.965087|5.770422|2.922864|8.559948|6.705183|9.696618|6.761132|0.184822|4.419748|4.061921|4.980024|10.677051|94.398470|13.536027|73.516695| |1.456505|1.601450|2.452257|0.049136|1.867298|2.079003|2.379240|2.313178|19.064547|3.133597|2.805467|2.889200|5.883177|4.402708|2.391015|5.190174|4.162170|6.343449|5.285912|0.157754|4.083851|4.455588|5.542945|9.467826|76.581189|13.132454|13.081684|36.858105| |1.325257|1.448424|2.185392|0.043774|1.654699|1.811677|2.037110|2.000918|16.266848|2.572332|2.334275|2.387130|4.749669|3.735694|2.049103|4.109348|3.314828|5.299977|4.084394|0.117051|3.484355|4.044017|5.039452|7.242267|49.515299|11.611673|8.862765|13.717120|36.858105| |1.234669|1.335966|2.004644|0.040303|1.525075|1.668746|1.844252|1.794021|14.258467|2.257561|2.097985|2.187009|4.361974|3.485848|1.952571|3.545527|2.773757|4.449001|3.347055|0.098728|2.974934|3.418323|3.898164|5.429652|33.657022|7.896212|6.836185|7.943408|13.773779|36.858105| |1.248064|1.342729|2.024412|0.040863|1.553890|1.719040|1.886398|1.805097|14.145948|2.290544|2.167010|2.320315|4.712382|3.714947|2.122002|3.600204|2.726474|4.292235|3.269198|0.100792|2.882013|3.184288|3.435790|4.973389|30.087444|6.626417|6.611095|6.968795|8.020653|13.811386|36.858105| |1.353995|1.459640|2.226991|0.045037|1.723105|1.938691|2.142907|2.019188|15.819758|2.649846|2.520059|2.764601|5.790490|4.359682|2.505145|4.239806|3.124825|4.769943|3.766434|0.122309|3.174178|3.350984|3.557647|5.499136|33.650173|6.832434|7.848448|7.944624|6.841315|7.869767|13.792234|36.858105| |1.475601|1.609356|2.481804|0.050018|1.915939|2.172067|2.461734|2.327470|18.698139|3.201859|2.961172|3.202379|6.793540|4.875589|2.716389|5.315552|3.966080|5.865194|4.922686|0.163554|3.814916|3.932923|4.361013|7.404807|49.453493|8.839890|11.476016|13.704064|7.891147|6.841131|8.020403|13.792689|36.858105| |1.163196|1.241360|1.858609|0.037605|1.428022|1.571741|1.699728|1.623101|12.526208|2.007313|1.927572|2.074878|4.171200|3.386712|1.962937|3.094542|2.316597|3.697291|2.709736|0.082864|2.467144|2.705217|2.832351|3.999152|23.263224|5.296072|5.286830|4.698576|5.325458|8.194905|14.422988|8.197350|5.328195|97.533100| |4.986856|7.663972|17.296916|0.260304|7.751843|6.363858|7.536381|12.728575|48.124841|4.850310|5.064781|3.728738|5.534688|6.326493|2.816099|4.949103|3.243953|6.167503|2.579333|0.068634|2.323669|2.006236|2.072939|3.221707|16.667215|3.913956|4.841920|1.995012|1.765430|1.596125|1.596229|1.756117|1.988633|3.263249|36.858105| |17.590570|8.954966|7.545312|0.147674|4.606251|3.488704|3.070285|3.263342|18.477929|2.315140|2.497797|2.218951|3.470779|4.133335|2.042920|2.707814|1.840190|3.387880|1.607827|0.043838|1.515155|1.365523|1.385976|2.057197|10.713194|2.572421|2.962589|1.362654|1.248993|1.166076|1.174819|1.266314|1.374071|2.471091|4.160548|0.500000| |17.556035|8.787897|9.329632|0.217357|5.286820|4.165200|3.617679|3.788766|20.826157|2.633948|2.889360|2.546050|3.926906|4.769377|2.319185|3.036904|2.030478|3.713529|1.757917|0.048118|1.660169|1.474884|1.479992|2.208105|11.358005|2.689079|3.159159|1.443608|1.312721|1.224771|1.240419|1.347145|1.466280|2.603722|4.721347|0.302695|0.500000| |17.602496|8.722664|9.100652|0.178985|6.414767|4.551652|3.639077|3.640114|19.621089|2.552557|2.875080|2.582956|3.952338|4.979997|2.435157|2.943090|1.951492|3.527856|1.701342|0.046930|1.582644|1.419021|1.438382|2.160099|11.334453|2.687899|3.179839|1.450116|1.318404|1.233501|1.253111|1.362885|1.479448|2.634475|4.440133|0.303141|0.300089|0.500000| |8.859488|17.628265|12.422652|0.214999|5.609211|4.157487|4.011932|4.808264|26.056669|2.983079|3.120128|2.598912|4.022354|4.639424|2.208388|3.371347|2.301184|4.352531|1.943439|0.052077|1.818163|1.613985|1.650773|2.474607|12.778495|3.068858|3.566550|1.579751|1.434243|1.318839|1.317940|1.425809|1.574371|2.738681|7.550574|0.216563|0.210797|0.172488|0.500000| |8.769130|17.623584|12.407095|0.182156|7.253652|4.645047|4.132007|4.627825|24.225412|2.912176|3.155843|2.675925|4.100211|4.899058|2.333477|3.287322|2.213949|4.109464|1.886792|0.051091|1.733311|1.554127|1.606892|2.430395|12.866746|3.093915|3.635748|1.601958|1.452749|1.339266|1.342884|1.455974|1.604636|2.793172|6.760045|0.211102|0.172144|0.209319|0.302006|0.500000| |5.142243|6.823970|12.470002|0.182532|17.617558|8.783281|6.650508|6.392194|29.533334|3.839947|4.564278|3.787989|5.495302|7.137776|3.202882|4.136758|2.646642|4.748180|2.222133|0.061197|1.968186|1.747611|1.819047|2.836129|15.370316|3.606321|4.530046|1.909796|1.695229|1.556331|1.577537|1.743289|1.944479|3.253637|7.352188|0.117673|0.122075|0.151008|0.146100|0.213250|0.500000| |6.873458|7.241504|12.317072|0.216363|17.664423|8.811644|5.554641|5.004941|24.437989|3.308043|4.005353|3.539402|5.148111|7.091187|3.267206|3.664205|2.340069|4.152172|2.005496|0.055851|1.814102|1.610157|1.643498|2.526377|13.450189|3.137886|3.887749|1.710397|1.529119|1.422414|1.454344|1.605433|1.762846|3.031845|5.640631|0.142852|0.162811|0.237316|0.144534|0.193408|0.301222|0.500000| |3.693174|4.119906|7.622245|0.146288|8.993566|17.628348|8.878159|5.854377|29.110745|4.585617|6.566623|6.111684|7.943784|13.733034|5.346509|4.909371|2.929205|4.958484|2.485454|0.070994|2.157437|1.891609|1.938665|3.081101|16.733835|3.772659|5.067521|2.132071|1.854097|1.716276|1.780444|2.018858|2.252597|3.667982|4.947718|0.086003|0.097668|0.111489|0.097237|0.112961|0.220314|0.207886|0.500000| |4.292895|4.557285|8.955738|0.202701|8.821171|17.551996|8.881199|6.085043|29.500501|4.509793|6.291294|5.654687|7.466956|12.317902|4.918836|4.805869|2.878014|4.920448|2.430185|0.069070|2.172113|1.876347|1.880009|2.942491|15.389257|3.468809|4.534900|1.962772|1.719124|1.597190|1.655108|1.865782|2.067321|3.428552|5.260495|0.095969|0.121195|0.127628|0.107798|0.114281|0.173359|0.219519|0.305730|0.500000| |2.381368|2.435690|3.955891|0.082935|3.504409|4.629735|4.074815|3.166925|19.656729|3.398085|4.390907|5.947063|9.230486|16.886479|17.672945|4.241493|2.548813|4.102120|2.347484|0.070900|2.069644|1.840449|1.829393|2.868585|15.464038|3.400359|4.538035|2.123517|1.851022|1.774343|1.917025|2.222390|2.376615|4.034007|2.721560|0.058556|0.066379|0.071134|0.061382|0.065754|0.089955|0.095775|0.151321|0.140113|0.500000| |2.166495|2.242964|3.657376|0.077956|3.052181|4.009539|3.967038|3.143539|20.723769|3.790485|4.749622|7.200999|12.880349|16.405627|17.655933|4.980797|2.924214|4.562203|2.740334|0.085303|2.412025|2.109364|2.052690|3.240826|17.061523|3.659210|4.989151|2.367254|2.034004|1.950296|2.132772|2.522713|2.709104|4.460120|2.619038|0.053619|0.061392|0.062926|0.057922|0.059817|0.078412|0.080952|0.120246|0.121066|0.298514|0.500000| |2.119049|2.232266|3.619856|0.074440|3.127019|4.061035|3.987634|3.147700|20.675634|3.777115|4.752144|7.206334|12.867942|16.404342|17.655941|4.947746|2.922172|4.556450|2.744331|0.085332|2.339694|2.087032|2.093011|3.356465|18.531655|3.969015|5.576442|2.594499|2.208129|2.113870|2.325103|2.786240|3.009685|4.827266|2.625041|0.052744|0.058615|0.061982|0.057238|0.061006|0.083611|0.082149|0.131859|0.113279|0.298482|0.299853|0.500000| |2.091998|2.339180|3.879405|0.080037|2.957503|3.659573|4.791373|4.312538|37.720120|9.561439|7.386674|7.533262|17.283567|8.824185|4.181595|25.944309|9.249243|10.841237|7.384515|0.241546|5.039555|3.868574|3.855279|7.147768|34.705618|6.536638|11.470204|4.113461|3.179920|2.778570|2.894753|3.525339|4.471811|5.570669|3.227685|0.052417|0.058676|0.057613|0.063336|0.062781|0.080132|0.072197|0.100142|0.096343|0.095083|0.116845|0.117074|0.500000| |1.619010|1.764660|2.742740|0.057517|1.972153|2.225502|2.647723|2.655799|23.540423|3.834742|3.172927|3.104885|6.234180|4.590948|2.403670|6.894120|6.239145|9.319525|8.715972|0.221874|17.595605|8.664937|5.670654|7.952491|28.619556|5.916493|6.804887|3.621360|3.119858|2.764594|2.755492|3.064431|3.569227|5.406828|2.252110|0.041731|0.046156|0.043788|0.049500|0.047027|0.053354|0.050039|0.059541|0.060984|0.059126|0.070403|0.066411|0.137659|0.500000| |1.686960|1.870487|2.892608|0.060018|2.038740|2.250795|2.724864|2.861283|26.959455|4.018914|3.169728|2.919277|5.592359|4.332733|2.211547|6.980697|7.475551|13.322985|8.845732|0.175572|17.601888|8.834701|6.852276|9.165401|30.769100|6.692088|7.155583|3.506942|3.065483|2.626016|2.519601|2.733416|3.238784|4.921192|2.448397|0.043657|0.047850|0.045132|0.053193|0.049981|0.055726|0.051210|0.059563|0.060597|0.055102|0.063128|0.061039|0.126294|0.301065|0.500000| |1.393543|1.514339|2.306840|0.047520|1.685698|1.867196|2.156772|2.155921|18.442087|2.921914|2.518737|2.521689|5.076814|3.842213|2.069548|5.001121|4.446907|6.958052|6.764377|0.180624|8.806378|17.556446|8.848658|9.318423|33.480208|7.076399|6.892375|4.733464|4.348102|3.799538|3.604871|3.786050|4.326855|6.869648|1.877894|0.036307|0.039223|0.037955|0.042317|0.041059|0.046491|0.043159|0.051124|0.050552|0.051484|0.059598|0.058961|0.103995|0.216197|0.173969|0.500000| |1.392105|1.518344|2.291896|0.047239|1.642758|1.788757|2.071657|2.128405|18.527279|2.771491|2.355918|2.277704|4.424852|3.504462|1.858527|4.574755|4.228806|7.255125|5.643334|0.133889|8.712199|17.597830|8.725352|7.908501|28.349483|6.530706|5.957647|3.632119|3.452104|3.006733|2.788641|2.864993|3.242015|5.476317|1.884726|0.036453|0.039273|0.037567|0.042946|0.041050|0.045310|0.042019|0.048338|0.048381|0.046830|0.053173|0.052217|0.090189|0.196310|0.217844|0.301472|0.500000| |1.380251|1.518702|2.293190|0.046373|1.680137|1.827369|2.110476|2.146998|18.491795|2.814219|2.412718|2.355090|4.611851|3.615683|1.925140|4.651834|4.248636|7.072236|5.819242|0.141836|5.718562|8.721875|17.622899|12.271853|48.163290|11.755233|8.183618|6.198923|6.274597|4.681250|3.894107|3.846839|4.597305|7.115696|1.893167|0.036161|0.038357|0.037560|0.042520|0.041766|0.047266|0.042804|0.050408|0.048464|0.048352|0.053888|0.055568|0.093977|0.126422|0.138261|0.221545|0.194221|0.500000| |1.484819|1.651493|2.494732|0.050424|1.791716|1.930358|2.268825|2.378724|21.366115|3.093624|2.561472|2.401888|4.582959|3.664736|1.906464|5.062916|4.997655|9.156109|6.258804|0.134913|6.655980|8.730620|17.607151|12.353554|41.970846|10.807596|7.916315|4.481185|4.216795|3.340336|2.939586|3.007662|3.600152|5.584594|2.103065|0.038913|0.041336|0.039998|0.046778|0.045229|0.050371|0.045281|0.052392|0.050972|0.048076|0.053170|0.054150|0.096478|0.135558|0.186633|0.173953|0.217169|0.301644|0.500000| |1.303233|1.428973|2.141760|0.042768|1.608555|1.740621|1.958812|1.952793|15.986908|2.457844|2.211520|2.216068|4.326429|3.483548|1.892071|3.872891|3.194552|5.272396|3.850544|0.105211|3.376609|4.004693|5.282762|7.092372|47.294008|13.414908|8.197164|8.913442|17.758197|8.924349|5.681680|4.939236|5.630631|9.624768|1.740521|0.034249|0.035803|0.035872|0.039511|0.039898|0.045951|0.041264|0.049194|0.045750|0.047852|0.052005|0.056092|0.081123|0.082543|0.084650|0.114928|0.097344|0.192199|0.128105|0.500000| |1.159320|1.250282|1.861013|0.037407|1.410658|1.529385|1.676942|1.640802|12.958617|2.015283|1.881146|1.947762|3.832391|3.140452|1.761605|3.115524|2.441802|3.993531|2.888826|0.083595|2.650760|3.072697|3.467610|4.637847|27.728889|6.885106|5.730736|5.632511|8.861643|17.751967|8.956442|5.631880|4.938687|16.749675|1.476603|0.030544|0.031935|0.032151|0.034361|0.034860|0.040015|0.036712|0.043600|0.040754|0.044896|0.048890|0.052638|0.066989|0.068759|0.066097|0.093921|0.077333|0.116192|0.084965|0.212885|0.500000| |1.348251|1.443056|2.203714|0.044744|1.717289|1.945263|2.123160|1.973863|15.185479|2.566137|2.498110|2.813879|5.955890|4.503867|2.658011|4.046649|2.894010|4.419593|3.391622|0.111519|2.907812|2.987045|3.065751|4.712775|27.714123|5.720557|6.836356|5.631782|4.938778|5.633401|8.953120|17.751080|8.864865|16.771928|1.717748|0.034971|0.037329|0.037874|0.038977|0.039909|0.048003|0.044708|0.056619|0.052422|0.065352|0.075003|0.083089|0.094794|0.080012|0.070085|0.093431|0.072014|0.089783|0.073282|0.107348|0.124522|0.500000| |1.592478|1.741279|2.722089|0.054966|2.119788|2.452358|2.811903|2.606595|20.889892|3.754295|3.497240|3.896004|8.639966|5.761386|3.195041|6.372653|4.488280|6.391144|5.378716|0.190501|3.960724|3.814995|4.106352|7.356798|47.135576|8.142166|13.110246|8.897327|5.628123|4.938971|5.683611|8.941915|17.754516|9.634565|2.181709|0.040907|0.044000|0.044455|0.047068|0.048079|0.059501|0.053849|0.070997|0.064711|0.075867|0.088301|0.099538|0.157904|0.104550|0.093484|0.113893|0.087204|0.113656|0.095765|0.124017|0.107345|0.213267|0.500000| |4.805323|7.051664|12.388290|0.229349|5.643381|4.894243|5.739802|8.859579|45.531288|4.386825|4.325295|3.285595|5.024309|5.520022|2.523473|4.660057|3.158789|6.166289|2.521136|0.066297|2.326807|2.004268|2.054474|3.142537|15.920870|3.768205|4.520925|1.904015|1.698239|1.535964|1.528727|1.670003|1.884080|3.132078|17.606103|0.114914|0.132111|0.113652|0.229451|0.163694|0.146704|0.126738|0.109555|0.121847|0.067672|0.066539|0.065382|0.083627|0.062722|0.069207|0.051751|0.052835|0.051865|0.058447|0.046762|0.039636|0.045263|0.056926|0.500000| 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