Version2.1 2021-01-09T03:19:45Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 13-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H]1CN(C[C@@H](O1)C)[C@@H](C)CNC(=O)[C@@H](CC2=c3ccccc3=[NH+]C2)NC(=O)c4cccs4 C64360502 RHF 6-31G(d) (6D,7F) C[C@@H]1CN(C[C@@H](O1)C)[C@@H](C)CNC(=O)[C@@H](CC2=c3ccccc3=[NH+]C2)NC(=O)c4cccs4 C01[X(C25H33N4O3S1)] 192 C1 565 C[C@@H]1O[C@H](C)CN(C1)[C@H](CNC(=O)[C@@H](CC1=c2ccccc2=[NH+]C1)NC(=O)c1cccs1)C C[C@@H]1O[C@H](C)CN(C1)[C@H](CNC(=O)[C@@H](CC1=c2ccccc2=[NH+]C1)NC(=O)c1cccs1)C C[C@H]1CN(C[C@@H](C)O1)[C@@H](C)CNC(=O)[C@@H](CC2=C3C=CC=CC3=[NH+]C2)NC(=O)c4sccc4 InChIKey=VCDCRLYXKAHZQL-VDVULAQNSA-O InChI=1S/C25H32N4O3S/c1-16(29-14-17(2)32-18(3)15-29)12-27-24(30)22(28-25(31)23-9-6-10-33-23)11-19-13-26-21-8-5-4-7-20(19)21/h4-10,16-18,22H,11-15H2,1-3H3,(H,27,30)(H,28,31)/p+1/t16-,17-,18+,22+/m0/s1 InChI=1/C25H32N4O3S/c1-16(29-14-17(2)32-18(3)15-29)12-27-24(30)22(28-25(31)23-9-6-10-33-23)11-19-13-26-21-8-5-4-7-20(19)21/h4-10,16-18,22H,11-15H2,1-3H3,(H,27,30)(H,28,31)/p+1/t16-,17-,18+,22+/m0/s1/fC25H33N4O3S/h26-28H/q+1 C[C@@H]1CN(C[C@@H](O1)C)[C@@H](C)CNC(=O)[C@@H](CC2=c3ccccc3=[NH+]C2)NC(=O)c4cccs4 C01[X(C25H33N4O3S1)] 192 C01 565 C[C@@H]1O[C@H](C)CN(C1)[C@H](CNC(=O)[C@@H](CC1=c2ccccc2=[NH+]C1)NC(=O)c1cccs1)C C[C@@H]1O[C@H](C)CN(C1)[C@H](CNC(=O)[C@@H](CC1=[C]2[CH]=[CH][CH]=[CH][C]2[NH]C1)NC(=O)C1=[CH][CH]=[CH]S1)C C[C@H]1CN(C[C@@H](C)O1)[C@@H](C)CNC(=O)[C@@H](CC2=C3C=CC=C[C]3NC2)NC(=O)c4sccc4 InChIKey=YAAMXFMWFATFMK-VDVULAQNSA-N InChI=1S/C25H33N4O3S/c1-16(29-14-17(2)32-18(3)15-29)12-27-24(30)22(28-25(31)23-9-6-10-33-23)11-19-13-26-21-8-5-4-7-20(19)21/h4-10,16-18,22,26H,11-15H2,1-3H3,(H,27,30)(H,28,31)/t16-,17-,18+,22+/m0/s1 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 4.0547 12.0502 18.8541 23.3440 27.3054 33.1939 39.2680 52.6039 72.2733 83.2624 105.2828 111.8342 123.0013 132.5499 166.0366 172.8692 175.2774 182.0101 195.1771 200.6023 216.9055 225.9543 241.2963 242.9053 252.3997 254.6225 264.6420 284.4595 286.9917 309.7565 343.5318 375.8592 381.6233 411.9333 424.0098 444.9753 460.7327 482.8910 487.5207 494.1867 509.1211 511.9162 524.9661 529.2717 543.5231 554.0117 568.3343 580.6959 581.7126 591.3206 606.5884 609.0032 623.3072 634.7097 678.0035 697.0153 724.2026 761.5566 791.5979 810.5534 831.6741 833.4082 850.5751 854.5992 867.5765 895.2462 910.1936 930.6905 940.7344 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4961.79 5521.55 5574.34 5578.42 0.600907 0.631094 0.632038 0.533654 -1805.025118 -1804.994931 -1804.993987 -1805.092370 3.299782D-04 MUNgauss RevisionA2.0 retrievium 09-Jan-2021 DUDE C[C@@H]1CN(C[C@@H](O1)C)[C@@H](C)CNC(=O)[C@@H](CC2=c3ccccc3=[NH+]C2)NC(=O)c4cccs4 C64360502 RHF 6-31G(d) (6D,10F) C1 469.227338 |X|Y|Z| 115.484090 75.145210 37.541031 68.808679 28 6 7 8 16 22 4 1 1 |36.858105| |12.552239|36.858105| |8.873727|17.443185|0.500000| |7.518398|12.496910|0.248158|36.858105| |5.013231|7.819384|0.197606|13.071937|53.358707| |4.536934|6.754164|0.164844|7.978894|17.808802|36.858105| |5.208708|8.073077|0.201467|6.752313|10.637511|12.498475|36.858105| |4.769401|7.252512|0.218810|5.927648|9.673020|8.942622|17.446663|0.500000| |8.087164|13.584041|0.259815|7.941400|9.271526|7.937162|13.579732|0.259853|73.516695| |4.059620|5.208718|0.132454|4.538325|6.822582|7.516767|12.553310|0.246485|14.373663|36.858105| |3.806688|5.030988|0.132366|7.689668|17.689085|7.770152|5.050770|0.132788|8.017871|3.824854|36.858105| |3.272714|4.254835|0.115019|5.683025|12.697851|7.589000|4.888591|0.131475|7.255506|3.872293|17.553514|0.500000| |3.514510|4.252149|0.106256|6.323361|10.200998|5.929661|4.127723|0.103629|6.960180|3.378144|12.431112|0.248070|36.858105| |3.498434|4.375119|0.123475|6.116481|10.536383|5.082632|3.947987|0.110786|6.593647|3.080686|12.437202|0.250454|7.576809|36.858105| |3.430356|4.374720|0.134519|5.393339|9.371042|4.820244|4.051355|0.122318|6.608335|3.127783|7.815753|0.197691|5.026513|13.120019|53.358707| |2.911181|3.492830|0.108420|4.017224|6.331271|3.621737|3.223620|0.098021|5.369714|2.613972|5.150375|0.137560|3.858214|7.787177|19.366138|36.858105| |2.598840|3.001108|0.090307|3.480166|5.273704|3.095669|2.744872|0.081241|4.651880|2.286994|4.484169|0.119317|3.641272|6.802641|11.559968|15.893668|73.516695| |2.740252|3.244399|0.104512|3.442141|5.282525|3.232333|3.066040|0.096802|5.094993|2.533369|3.918447|0.107919|3.050194|4.971653|10.551838|12.317271|14.262826|36.858105| |2.990577|3.496119|0.116197|3.589450|5.244675|3.184818|3.119952|0.099066|5.344951|2.552901|3.710774|0.098754|2.932736|4.613786|9.250291|8.974729|11.551512|17.556466|0.500000| |2.687842|3.265304|0.105758|3.356272|5.393101|3.499787|3.391634|0.111561|5.374286|2.830580|3.847374|0.111701|2.951924|4.386329|8.868343|7.376161|9.433879|12.298333|0.246993|36.858105| |2.364376|2.768831|0.089017|2.741390|4.216268|2.863789|2.890731|0.094518|4.659432|2.519633|2.968443|0.085756|2.401738|3.266046|5.894128|4.869104|7.072462|7.497862|0.184822|12.694610|36.858105| |2.367958|2.712233|0.088244|2.589696|3.837612|2.636313|2.762727|0.090570|4.567012|2.435268|2.628280|0.074323|2.172615|2.845402|4.938589|3.957743|5.927421|5.691625|0.163678|7.379897|14.023853|36.858105| |2.657921|3.004143|0.100562|2.760239|3.947711|2.694042|2.917596|0.096332|4.977605|2.540877|2.617169|0.072143|2.175238|2.813080|4.810468|3.727530|5.582904|5.072768|0.164214|5.800767|7.423383|13.210014|36.858105| |2.423970|2.644405|0.086435|2.399965|3.356674|2.333803|2.555662|0.082402|4.444282|2.291849|2.233638|0.061414|1.907484|2.367296|3.875808|2.977573|4.634172|3.790475|0.119805|4.137672|5.132105|7.953154|14.199935|36.858105| |2.054223|2.224650|0.070666|2.057403|2.904266|2.048586|2.212126|0.070133|3.806057|2.034255|1.972497|0.054909|1.708211|2.080900|3.347761|2.597452|4.138140|3.252671|0.097707|3.584273|4.644893|6.880165|7.867482|13.171440|36.858105| |1.907187|2.089843|0.065679|1.973507|2.839470|2.009727|2.131005|0.067389|3.599643|1.970229|1.961724|0.055361|1.695787|2.075566|3.353115|2.637901|4.223379|3.341740|0.096177|3.794751|5.285777|7.655369|6.616476|7.713965|14.067034|36.858105| |2.020796|2.264661|0.071646|2.171835|3.195017|2.241893|2.341622|0.074932|3.883034|2.132502|2.224369|0.063409|1.887978|2.377801|3.950416|3.159709|4.960872|4.204804|0.116922|5.095838|8.416375|13.216838|7.652996|6.817108|8.071692|13.436078|36.858105| |1.875869|2.112449|0.065741|2.070099|3.095924|2.182724|2.229354|0.070530|3.647343|2.046594|2.204941|0.063878|1.876947|2.358882|3.893837|3.147798|5.015027|4.106464|0.107390|5.080441|8.271947|8.449067|5.296360|4.656910|5.258647|7.718936|14.503912|53.358707| |1.710037|1.906118|0.058593|1.872729|2.785700|1.980727|2.017549|0.062986|3.312754|1.878895|1.998615|0.058002|1.726988|2.123709|3.424838|2.750735|4.481238|3.438788|0.090139|4.074587|5.825392|5.921580|4.236413|3.950927|4.642394|6.814036|9.274547|26.018985|0.500000| |2.007499|2.307870|0.071897|2.311109|3.549299|2.471832|2.463788|0.078340|3.961728|2.222610|2.569148|0.075555|2.140976|2.785340|4.741416|3.909200|6.086431|5.276114|0.127485|7.249972|12.729116|8.218173|5.082845|4.103801|4.152806|5.196863|8.373123|17.921687|0.244033|36.858105| |2.300159|2.618841|0.082015|2.761525|4.121223|2.610106|2.488205|0.076786|4.186490|2.130651|3.130513|0.087015|2.580381|3.884843|7.054185|7.750462|12.731634|13.143794|0.261097|7.579275|6.580724|5.202434|4.432911|3.521392|3.183492|3.371885|4.229033|5.851446|0.101916|5.430105|53.358707| |2.041301|2.316733|0.070795|2.475209|3.754354|2.431331|2.279518|0.069379|3.785716|1.991267|2.943307|0.084153|2.473731|3.582014|6.120326|6.284161|11.499673|7.789602|0.160508|6.162365|5.573197|4.298304|3.561974|2.951634|2.786579|3.041920|3.797807|5.670223|0.102505|5.454802|18.881133|36.858105| |2.018797|2.324263|0.070493|2.497748|3.901650|2.570850|2.380449|0.072576|3.866720|2.093336|3.095903|0.091598|2.575402|3.663986|6.238739|5.957128|10.307154|6.862414|0.139226|6.606499|5.760572|4.194932|3.394363|2.808192|2.673746|2.958129|3.748118|5.840158|0.106061|6.057648|11.527444|15.812139|73.516695| |1.806851|2.001817|0.060314|2.131154|3.152894|2.065707|1.946805|0.058322|3.282029|1.728348|2.477692|0.070125|2.164269|2.966271|4.725426|4.530946|8.976915|5.077271|0.119320|4.197889|4.073495|3.443755|2.962890|2.575157|2.492587|2.715361|3.229740|4.808274|0.091184|4.201724|10.672086|12.905712|14.453437|36.858105| |1.640361|1.808605|0.053701|1.936168|2.872053|1.909342|1.786044|0.052911|3.000914|1.607271|2.287005|0.065451|2.040487|2.680879|4.097041|3.721156|7.442181|3.898835|0.093273|3.445275|3.344657|2.863342|2.487698|2.206361|2.166518|2.367065|2.760152|4.178719|0.081773|3.588842|7.038297|7.643426|11.801926|14.092717|36.858105| |1.500533|1.628344|0.048075|1.731367|2.521755|1.686316|1.590422|0.046779|2.703404|1.442886|1.991378|0.056362|1.813311|2.304951|3.436927|3.031215|6.052101|3.152318|0.078933|2.797490|2.770996|2.475496|2.205201|2.004193|1.987135|2.151822|2.430558|3.611554|0.071992|2.947120|5.481767|5.108528|7.931806|8.216078|13.334396|36.858105| |1.522399|1.637654|0.048612|1.726174|2.478440|1.648626|1.571031|0.046315|2.698253|1.420330|1.930864|0.053925|1.756823|2.244873|3.369476|2.989499|5.937277|3.180329|0.081987|2.754496|2.766859|2.537668|2.295504|2.104786|2.084744|2.235612|2.490192|3.612550|0.071635|2.872452|5.650043|4.850134|7.105724|7.720006|8.260809|14.135994|36.858105| |1.731762|1.875597|0.056569|1.966370|2.821210|1.850173|1.774151|0.052925|3.052677|1.581202|2.172292|0.060178|1.932283|2.575562|4.015704|3.720242|7.306186|4.200722|0.108828|3.434575|3.464721|3.170615|2.853334|2.562847|2.494715|2.663241|3.026321|4.302685|0.082654|3.462561|8.318810|6.667546|8.585168|10.954835|7.441450|7.448763|11.081050|388.023441| |17.573390|8.854372|0.173505|6.835038|6.324125|4.382478|4.822194|0.116735|12.898635|3.972139|3.662444|0.087659|3.578512|3.272457|4.209675|2.632898|4.256098|2.444443|0.072650|2.403884|2.123877|2.109183|2.321615|2.135623|1.844820|1.729202|1.828475|2.336271|0.043804|1.836723|2.838494|1.882092|3.328676|1.681387|1.543224|1.417725|1.431809|11.439320|0.500000| |17.584745|8.878609|0.213506|5.494876|5.665013|3.977381|4.855811|0.127625|13.070596|4.004416|3.236029|0.079946|2.973399|3.009615|4.140255|2.648182|4.204419|2.573961|0.078486|2.566309|2.314455|2.365179|2.700461|2.511177|2.119836|1.943632|2.031627|2.541514|0.047366|1.969516|2.972852|1.937791|3.404767|1.722235|1.563479|1.435989|1.461609|11.819684|0.301606|0.500000| |17.548690|8.824152|0.212442|6.805996|6.247782|3.924710|4.238437|0.112487|10.237465|3.363227|3.681860|0.086897|3.417668|3.576069|4.764745|3.029470|4.863818|2.832727|0.087306|2.687151|2.362084|2.371214|2.676448|2.442353|2.061787|1.908279|2.019299|2.545306|0.047327|1.999572|3.256306|2.101245|3.642138|1.871134|1.689245|1.551715|1.585848|12.899565|0.300251|0.300533|0.500000| |7.018682|8.907986|0.174750|17.473716|12.226040|7.102306|5.879553|0.135522|12.582317|4.354833|6.702766|0.142065|6.787439|5.149398|5.886237|3.380570|5.413480|2.909881|0.083262|2.843813|2.381239|2.258648|2.387443|2.117923|1.845348|1.775880|1.935280|2.529359|0.047189|2.056972|3.288347|2.208728|3.974337|1.936649|1.784324|1.610371|1.600939|12.771268|0.209855|0.142640|0.172960|0.500000| |6.809631|8.897110|0.217607|17.577189|12.410448|5.718841|5.020363|0.132379|10.188394|3.643657|7.130719|0.143967|5.970690|6.912679|8.081634|4.480253|6.985065|3.714300|0.109616|3.425489|2.779859|2.626224|2.811354|2.436371|2.079456|1.990537|2.192087|2.837213|0.052296|2.329493|4.051411|2.626252|4.618757|2.268777|2.042767|1.830248|1.838142|15.021082|0.166824|0.140102|0.201450|0.301308|0.500000| |4.338928|5.858797|0.135272|7.081405|12.216017|17.458909|8.896113|0.174728|12.528456|7.022886|6.764079|0.180025|6.289928|4.458111|5.440581|3.123067|4.916242|2.773175|0.076030|2.934665|2.464697|2.290707|2.341030|2.068758|1.838083|1.803288|1.986954|2.644989|0.049527|2.174746|3.140717|2.176223|4.073460|1.884965|1.762671|1.572411|1.535547|12.101488|0.124108|0.105032|0.103706|0.209657|0.143558|0.500000| |3.644782|5.026868|0.132765|5.726683|12.466027|17.562458|8.886047|0.218129|10.180088|6.781861|7.266141|0.239510|5.426231|4.906224|6.552437|3.669398|5.559676|3.301671|0.087719|3.715538|3.020582|2.717206|2.697191|2.322545|2.065952|2.058980|2.325585|3.132537|0.058055|2.646188|3.643270|2.541899|4.892996|2.140421|1.991711|1.742987|1.687031|13.399081|0.097539|0.091758|0.090451|0.143863|0.127547|0.301035|0.500000| |3.363300|4.238634|0.112472|3.925621|6.247454|6.809185|8.825464|0.212384|10.236070|17.548587|3.705402|0.109179|3.245276|2.996279|4.184924|2.592853|4.035048|2.528720|0.069522|2.894160|2.588524|2.467728|2.513141|2.258834|2.033554|1.998695|2.181192|2.887492|0.054257|2.318944|2.911202|2.026036|3.841609|1.752645|1.639301|1.464746|1.431831|11.282541|0.091106|0.091816|0.080350|0.104032|0.090386|0.173472|0.200631|0.500000| |4.003519|4.854143|0.127544|3.977312|5.663690|5.494332|8.878925|0.213563|13.063041|17.584938|3.246602|0.090245|2.891294|2.737083|3.851410|2.423547|3.782941|2.404077|0.068209|2.686133|2.455314|2.430335|2.580696|2.368395|2.098367|2.008625|2.142025|2.763704|0.051876|2.165384|2.777640|1.895812|3.514144|1.655430|1.535414|1.386408|1.372649|10.884593|0.107223|0.115695|0.091799|0.105331|0.091719|0.142595|0.139799|0.300550|0.500000| |3.972698|4.823446|0.116737|4.386365|6.324481|6.828540|8.854660|0.173505|12.899284|17.573155|3.678976|0.102141|3.436518|2.925949|3.903203|2.408864|3.814649|2.295543|0.064163|2.503554|2.233298|2.155964|2.243131|2.044422|1.830471|1.775371|1.909249|2.508650|0.047365|1.995580|2.664723|1.843083|3.432756|1.618179|1.515873|1.369266|1.346664|10.573261|0.113789|0.107256|0.091114|0.124669|0.097611|0.209782|0.165905|0.300242|0.301573|0.500000| |2.944894|3.450229|0.088997|4.713185|7.510258|4.649682|3.425337|0.088406|5.724544|2.915182|8.820609|0.217742|17.557636|6.906662|6.319414|3.751168|6.552208|2.936663|0.077003|2.819244|2.309057|2.070399|2.042585|1.797296|1.627828|1.630482|1.819229|2.490507|0.047036|2.095961|3.466252|2.499058|4.657207|2.209459|2.114053|1.877270|1.800237|13.894790|0.082942|0.070888|0.080712|0.136594|0.129386|0.134650|0.126573|0.079614|0.070359|0.082098|0.500000| |3.467136|4.167593|0.101390|5.849572|9.300986|6.447046|4.367112|0.105121|7.262251|3.703752|8.757448|0.210991|17.576692|5.493643|5.635048|3.270121|5.445908|2.707342|0.072721|2.697862|2.241171|2.046633|2.053901|1.818690|1.636865|1.623362|1.794899|2.428138|0.045814|2.016154|3.147348|2.227910|4.150918|1.961785|1.861825|1.664741|1.611948|12.519657|0.100833|0.082323|0.090772|0.187965|0.141971|0.217300|0.162245|0.098714|0.086201|0.108393|0.302404|0.500000| |3.805915|4.397479|0.107807|6.730962|8.951592|5.063969|3.823038|0.096099|6.870964|3.128083|8.721615|0.173412|17.565429|6.875047|6.319759|3.675043|6.279044|2.922926|0.079888|2.755111|2.271558|2.086969|2.121141|1.874335|1.671161|1.644773|1.814429|2.433306|0.045740|2.015425|3.396212|2.359772|4.276605|2.091619|1.962562|1.764153|1.727262|13.537773|0.109401|0.087389|0.105502|0.215388|0.190463|0.149609|0.123425|0.081614|0.076061|0.089046|0.302197|0.301519|0.500000| |2.934174|3.518289|0.098724|4.623174|7.663948|4.211470|3.326789|0.093096|5.518639|2.720296|8.852230|0.221054|6.885237|17.630939|12.525044|7.207936|12.982972|4.597742|0.114124|4.040950|3.076611|2.649563|2.561677|2.179307|1.951767|1.971656|2.261774|3.110652|0.057696|2.714562|5.207340|3.711527|6.846188|3.119494|2.881732|2.459096|2.354313|18.844386|0.077667|0.071534|0.083335|0.115557|0.140710|0.106667|0.118005|0.074849|0.067509|0.072524|0.205967|0.140760|0.169134|0.500000| |3.761886|4.501905|0.125257|6.429475|9.122961|4.477891|3.656678|0.101226|6.473305|2.872080|8.751359|0.174611|6.959680|17.554526|12.388250|6.675052|11.216310|4.512467|0.123204|3.825928|2.968435|2.665871|2.701821|2.306026|2.016373|1.986341|2.239510|2.985537|0.055095|2.531961|4.958180|3.287789|5.765773|2.809384|2.529769|2.221318|2.198635|17.971110|0.097715|0.088096|0.111070|0.152458|0.232434|0.113131|0.114625|0.076026|0.072029|0.076776|0.172583|0.141278|0.207589|0.304007|0.500000| |3.836343|5.197362|0.168007|6.124429|11.301894|5.708327|4.932199|0.156368|7.821375|3.625660|7.624046|0.195621|4.784335|9.188455|26.056819|9.299362|10.819303|7.275882|0.190646|7.117574|4.653351|3.957338|3.942756|3.117304|2.639888|2.615733|3.085242|4.062011|0.072218|3.605175|6.455688|4.047359|7.411237|3.145714|2.733172|2.318126|2.286984|19.370236|0.093898|0.094920|0.106110|0.129437|0.176234|0.123832|0.156248|0.098255|0.090805|0.089863|0.117727|0.114515|0.122350|0.183341|0.199325|0.500000| |3.083991|3.892840|0.130565|3.893300|6.375617|4.143031|4.133586|0.143174|6.414589|3.327266|4.244218|0.121854|3.165199|4.609021|9.362308|6.581003|8.354738|8.830811|0.223543|17.573150|9.065349|6.819350|6.128164|4.305138|3.578864|3.637497|4.653883|5.988375|0.100084|5.635867|7.621075|4.623150|8.665348|3.423256|2.898676|2.426995|2.405183|20.855984|0.075418|0.081879|0.084281|0.089254|0.107815|0.093246|0.121062|0.093727|0.087547|0.079869|0.081699|0.081076|0.081894|0.112222|0.111564|0.243887|0.500000| |2.501617|3.042291|0.095194|3.216621|5.349819|3.544678|3.308264|0.106442|5.120333|2.809935|4.000008|0.122008|3.062640|4.481139|8.686329|6.977776|9.378839|8.796441|0.175030|17.678488|8.987547|5.607075|4.457812|3.421763|3.092857|3.340661|4.392205|6.415370|0.108987|7.064181|8.873901|6.284139|13.990755|4.240933|3.619119|2.871223|2.740776|23.449822|0.063290|0.065926|0.068869|0.077054|0.089891|0.083042|0.108582|0.081501|0.072885|0.069495|0.082745|0.077890|0.077608|0.119368|0.104552|0.183394|0.302271|0.500000| |3.109159|3.572713|0.124633|3.226403|4.559829|3.037989|3.320971|0.111273|5.746510|2.794828|2.947115|0.079783|2.410736|3.184753|5.550232|4.190826|6.101556|5.618099|0.196807|6.135620|6.560922|8.709332|17.744388|9.035336|5.589973|4.819454|5.500364|5.838604|0.098133|4.428723|6.159150|3.542919|5.984433|2.915704|2.446304|2.163411|2.248170|19.880432|0.073815|0.087332|0.087434|0.075821|0.091955|0.072369|0.082909|0.075481|0.078522|0.068186|0.062052|0.062826|0.065670|0.078580|0.085618|0.130283|0.196385|0.127717|0.500000| |2.533623|2.699868|0.088294|2.400914|3.278595|2.281492|2.533253|0.080839|4.514957|2.276558|2.158545|0.058670|1.863053|2.271952|3.648282|2.757663|4.331172|3.374371|0.108264|3.558099|4.101399|5.625840|9.043972|17.755990|8.769887|5.588776|4.928328|5.021615|0.089944|3.356463|4.237722|2.623002|4.425839|2.325158|2.011536|1.848278|1.948300|16.686229|0.061616|0.074141|0.071213|0.059087|0.067795|0.056593|0.062133|0.061451|0.066097|0.056693|0.048495|0.049509|0.051325|0.057767|0.062342|0.081576|0.105030|0.083216|0.215827|0.500000| |1.927519|2.051918|0.064407|1.890115|2.637772|1.872647|2.028653|0.063457|3.528260|1.889217|1.793430|0.049763|1.574153|1.879628|2.965857|2.283405|3.689938|2.770867|0.083059|2.986351|3.680709|4.957142|5.657142|8.798205|17.723183|9.094932|5.700053|5.715210|0.108497|3.398525|3.719886|2.430437|4.147018|2.222888|1.959991|1.825069|1.921008|16.061559|0.048366|0.055677|0.053770|0.047554|0.053012|0.047158|0.052201|0.052274|0.054510|0.047584|0.041711|0.042096|0.042977|0.049131|0.050972|0.064581|0.083361|0.073171|0.124092|0.215580|0.500000| |1.724541|1.874043|0.058071|1.780585|2.558137|1.824256|1.923343|0.060039|3.251162|1.802732|1.783396|0.050502|1.560276|1.877510|2.981379|2.340518|3.810955|2.881269|0.081646|3.223073|4.290491|5.496125|4.820198|5.523076|8.951197|17.752774|8.751561|9.239817|0.192731|4.543131|4.034135|2.760999|4.806644|2.531944|2.252005|2.074982|2.150426|17.781791|0.043835|0.048818|0.047883|0.044957|0.049796|0.045907|0.052067|0.051013|0.051059|0.045466|0.041909|0.041654|0.042034|0.050006|0.049976|0.063953|0.085413|0.081430|0.105293|0.123181|0.216817|0.500000| |1.972890|2.286922|0.070439|2.299148|3.593771|2.560160|2.537713|0.080613|3.999867|2.321657|2.609483|0.078392|2.174465|2.756670|4.611740|3.652482|5.689267|4.579408|0.110169|6.512048|8.922124|6.263834|4.319678|3.578659|3.613692|4.395815|6.338454|12.341626|0.204313|17.536176|6.092454|4.673655|9.900837|3.677944|3.294918|2.714193|2.589869|21.345413|0.050506|0.053716|0.053989|0.057179|0.063417|0.062536|0.077723|0.068483|0.062450|0.057705|0.059278|0.057404|0.056181|0.075022|0.068642|0.098182|0.149738|0.198757|0.108222|0.083503|0.084396|0.110521|0.500000| |1.906329|2.173187|0.066995|2.215733|3.389199|2.328871|2.276590|0.071084|3.695119|2.050505|2.516534|0.073886|2.117772|2.788052|4.698687|4.035535|6.517535|5.360445|0.124914|6.470165|8.861625|6.191764|4.273673|3.547346|3.588450|4.369487|6.285802|12.289653|0.205360|17.612252|8.433688|6.990425|14.038001|5.302799|4.456197|3.518697|3.372975|29.114192|0.048735|0.051563|0.053191|0.055124|0.062748|0.057489|0.069049|0.059179|0.055133|0.051775|0.058321|0.054957|0.055491|0.077086|0.070555|0.095715|0.135646|0.184551|0.107059|0.082825|0.083906|0.110128|0.302041|0.500000| |2.281082|2.544181|0.079281|2.683387|3.887415|2.443407|2.337494|0.071236|4.014973|2.004248|2.952612|0.080288|2.487871|3.704033|6.415484|6.874797|12.529701|9.340039|0.238371|5.668225|5.115733|4.464078|4.074581|3.353704|3.020112|3.121334|3.731464|5.021422|0.089682|4.334465|25.991467|9.531648|11.021966|7.551641|4.973814|4.105012|4.467648|50.549860|0.057460|0.060086|0.066920|0.065617|0.081813|0.060704|0.068487|0.055340|0.053551|0.051588|0.068237|0.061710|0.068034|0.101332|0.100391|0.118635|0.128428|0.137264|0.117139|0.084302|0.073243|0.076898|0.101588|0.134323|0.500000| |1.625497|1.805343|0.053285|1.945668|2.927258|1.961671|1.817059|0.053676|3.021651|1.642619|2.359228|0.068637|2.106480|2.733820|4.136190|3.671572|7.254914|3.738731|0.088038|3.440899|3.284245|2.761571|2.384535|2.107925|2.070463|2.270139|2.662039|4.090905|0.080404|3.590534|6.324948|6.895262|12.652281|8.946642|17.766750|8.582062|5.736390|37.691594|0.042673|0.042947|0.046161|0.049984|0.056509|0.050375|0.057482|0.046881|0.043344|0.043072|0.061185|0.053530|0.055620|0.082871|0.070420|0.076544|0.080649|0.104404|0.065316|0.053390|0.052039|0.060145|0.094814|0.123325|0.119304|0.500000| 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