Version2.0 2020-07-17T20:22:02Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 13-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)C[C@@H](C(=O)NCCc1ccccc1F)N2C(=O)[C@@]3(c4c(c5ccccc5[nH]4)CCN3C2=O)C C12873085 RHF 6-31G(d) (6D,7F) CC(C)C[C@@H](C(=O)NCCc1ccccc1F)N2C(=O)[C@@]3(c4c(c5ccccc5[nH]4)CCN3C2=O)C C01[X(C28H31F1N4O3)] 195 C1 602 CC(C[C@H](N1C(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3)C(=O)NCCc1ccccc1F)C CC(C[C@H](N1C(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3)C(=O)NCCc1ccccc1F)C CC(C)C[C@H](N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O)C(=O)NCCc5ccccc5F InChIKey=XFVYGPGMASJUSM-FIPFOOKPSA-N InChI=1S/C28H31FN4O3/c1-17(2)16-23(25(34)30-14-12-18-8-4-6-10-21(18)29)33-26(35)28(3)24-20(13-15-32(28)27(33)36)19-9-5-7-11-22(19)31-24/h4-11,17,23,31H,12-16H2,1-3H3,(H,30,34)/t23-,28-/m0/s1 InChI=1/C28H31FN4O3/c1-17(2)16-23(25(34)30-14-12-18-8-4-6-10-21(18)29)33-26(35)28(3)24-20(13-15-32(28)27(33)36)19-9-5-7-11-22(19)31-24/h4-11,17,23,31H,12-16H2,1-3H3,(H,30,34)/t23-,28-/m0/s1/f/h30H CC(C)C[C@@H](C(=O)NCCc1ccccc1F)N2C(=O)[C@@]3(c4c(c5ccccc5[nH]4)CCN3C2=O)C C01[X(C28H31F1N4O3)] 195 C01 602 CC(C[C@H](N1C(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3)C(=O)NCCc1ccccc1F)C CC(C[C@H](N1C(=O)N2[C@@](C1=O)(C)C1=[C]([C]3[C]([CH][CH][CH][CH]3)N1)CC2)C(=O)NCC[C]1[CH][CH][CH][CH][C]1F)C CC(C)C[C@H](N1C(=O)N2CCC3=C(N[C]4[CH][CH][CH][CH][C]34)[C@@]2(C)C1=O)C(=O)NCC[C]5[CH][CH][CH][CH][C]5F InChIKey=XFVYGPGMASJUSM-FIPFOOKPSA-N InChI=1S/C28H31FN4O3/c1-17(2)16-23(25(34)30-14-12-18-8-4-6-10-21(18)29)33-26(35)28(3)24-20(13-15-32(28)27(33)36)19-9-5-7-11-22(19)31-24/h4-11,17,23,31H,12-16H2,1-3H3,(H,30,34)/t23-,28-/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|A|A|A| 6.5432 12.6707 16.8095 25.8287 34.5162 47.8706 53.7911 61.6211 62.0977 78.6239 84.2998 93.1940 107.9343 114.2914 134.1903 158.3270 177.2115 189.5643 197.1359 209.5716 237.8945 249.4431 251.8058 263.7803 270.9666 280.0848 286.4888 309.3081 324.9280 326.5179 335.8558 341.5274 360.3118 367.0139 388.5543 400.7826 410.2472 428.0102 449.8261 456.0937 465.3795 470.3315 493.5220 506.4862 520.1536 530.2187 530.6375 547.3084 561.3890 588.8052 608.5634 628.0306 635.1239 643.3539 664.9074 683.2266 695.2808 728.3590 750.6965 779.7395 793.8864 801.8793 810.9442 819.9795 836.3205 842.5400 847.0362 855.3195 859.3451 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3228.5075 3233.4577 3250.7193 3254.8369 3258.4348 3261.8071 3268.0712 3276.0525 3282.7896 3284.4120 3302.1519 3305.1916 3312.0686 3318.0803 3333.4713 3353.2578 3361.7890 3362.0293 3373.6514 3373.7470 3385.6520 3388.1382 3400.2203 3889.2291 3925.2986 6.6286 6.0780 5.4283 5.1687 4.0549 5.4286 4.3246 3.7117 3.6122 4.0962 6.3548 6.4997 3.8756 5.3486 6.1248 6.2401 3.1803 3.5908 3.8533 4.1764 3.6851 1.2734 1.9686 1.1990 1.4520 2.4291 2.0219 2.7754 3.6076 4.2572 3.7213 3.6989 3.9309 7.1205 1.7651 2.8567 4.8851 4.3587 2.6282 1.8621 1.6459 3.1839 3.2199 3.8619 3.2591 3.2572 4.4932 4.7684 4.6662 5.7100 4.2615 5.2653 3.6468 5.0480 6.1968 5.6159 4.7051 3.3612 5.3076 4.4278 2.8738 3.5139 1.7503 3.6569 3.8825 1.5416 3.4307 1.6869 3.9659 2.1482 5.7516 2.8396 3.0402 4.6415 2.9570 1.4608 1.4309 2.6167 2.8644 1.2673 3.2788 2.0793 2.1476 1.4959 1.4318 2.0773 1.4384 2.3343 1.2986 1.3660 2.0980 3.2062 2.2968 2.0063 2.1513 2.8244 3.3239 2.3237 2.4776 2.4518 1.7228 1.6854 1.5848 1.9704 2.1553 3.3335 2.2753 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4652.22 4677.06 4682.98 4688.16 4693.01 4702.03 4713.51 4723.20 4725.54 4751.06 4755.43 4765.33 4773.98 4796.12 4824.59 4836.86 4837.21 4853.93 4854.07 4871.20 4874.78 4892.16 5595.73 5647.63 0.596575 0.627462 0.628406 0.529707 -1619.696054 -1619.665167 -1619.664223 -1619.762922 3.310381D-04 MUNgauss RevisionA2.0 retrievium 17-Jul-2020 DUDE CC(C)C[C@@H](C(=O)NCCc1ccccc1F)N2C(=O)[C@@]3(c4c(c5ccccc5[nH]4)CCN3C2=O)C C12873085 RHF 6-31G(d) (6D,10F) C1 490.238019 |X|Y|Z| 144.934198 54.380615 37.964990 66.885620 27 6 7 23 4 |36.858105| |12.435563|36.858105| |7.561853|12.433310|36.858105| |7.608166|12.395880|7.454123|36.858105| |4.865024|7.335695|6.106589|12.381489|36.858105| |4.449381|6.588280|6.693124|8.848242|17.603443|0.500000| |3.732951|4.780250|4.158086|7.311916|12.368069|0.251543|36.858105| |3.120924|3.881028|3.473586|5.223935|7.982540|0.184438|15.846057|73.516695| |3.604679|4.283130|3.773222|6.485594|7.746659|0.185406|14.164291|15.145540|53.358707| |2.871794|3.239406|2.935030|4.373881|4.972151|0.126583|7.785209|12.216693|17.852802|36.858105| |2.479198|2.804910|2.678857|3.565386|4.171200|0.115336|5.892403|10.181382|10.436969|12.423718|36.858105| |2.104582|2.314753|2.212769|2.823755|3.171518|0.086969|4.153109|7.551508|6.788119|7.542229|12.603400|36.858105| |1.902280|2.095475|2.006094|2.501370|2.843686|0.077685|3.651088|7.064410|5.480947|5.499840|7.495948|13.708684|36.858105| |1.689456|1.829735|1.755565|2.136526|2.365638|0.064606|2.906834|5.542573|4.316970|4.092486|4.988385|7.865308|13.741863|36.858105| |1.633040|1.741396|1.672447|2.020801|2.179791|0.059624|2.622672|4.833506|3.992754|3.748738|4.415771|6.796719|7.942458|13.758499|36.858105| |1.752616|1.857456|1.782971|2.174916|2.311515|0.063361|2.783769|4.967693|4.410361|4.228013|5.000752|7.836563|6.884886|7.943923|13.749694|36.858105| |1.991257|2.135496|2.045277|2.561182|2.750919|0.075530|3.417858|5.987643|5.671806|5.843108|7.553049|13.762715|8.070665|6.964986|8.021764|13.841000|36.858105| |2.133883|2.259300|2.167616|2.719231|2.830811|0.078115|3.431708|5.729301|5.947085|5.815041|6.799060|8.151135|5.317735|4.677601|5.308685|8.178469|14.242562|97.533100| |4.323133|6.353745|5.370987|7.621647|13.140722|0.262168|7.896999|12.849386|7.126565|3.928143|3.429036|2.755091|2.581075|2.184326|1.992462|2.064361|2.390771|5.401876|53.358707| |3.548376|4.918649|4.803607|5.210833|7.707876|0.212904|5.753072|10.442049|5.651546|3.338652|3.112528|2.552103|2.442727|2.082611|1.887080|1.931553|2.210309|4.938200|19.054724|36.858105| |3.298155|4.486139|4.879051|4.639901|6.579158|0.218269|5.097726|9.029731|5.307150|3.179459|3.097737|2.531129|2.412228|2.056944|1.868467|1.917481|2.197028|4.927381|11.330228|15.954116|73.516695| |3.043989|3.905535|3.692151|3.995366|5.127338|0.133809|4.385548|8.518682|4.564481|2.859076|2.665328|2.277140|2.239273|1.945934|1.757755|1.772001|1.987416|4.383762|11.163736|12.509706|13.979955|36.858105| |2.948887|3.676585|3.596664|3.465502|4.043736|0.109123|3.388358|6.263809|3.745146|2.375981|2.234802|1.944639|1.908283|1.689303|1.547060|1.563066|1.733264|3.858872|7.767742|7.625157|10.981844|12.681971|36.858105| |2.913263|3.474729|3.289121|3.188355|3.487238|0.091793|2.965501|5.407449|3.373550|2.164022|2.010394|1.774730|1.742035|1.560553|1.440994|1.456593|1.602116|3.579988|6.352953|5.311401|7.857241|7.534292|14.134875|36.858105| |2.645426|3.060075|3.032782|2.737559|2.917173|0.079247|2.498832|4.498268|2.924262|1.896233|1.788368|1.593279|1.563373|1.413407|1.314275|1.329512|1.452961|3.260043|4.957656|4.155580|6.721648|5.149858|8.524717|13.172366|36.858105| |2.418280|2.681421|2.651169|2.384919|2.464380|0.066870|2.147418|3.839125|2.572301|1.688093|1.592757|1.435530|1.409357|1.286872|1.205233|1.219456|1.322859|2.976418|4.009079|3.212646|5.302245|3.771818|5.266382|7.277159|13.634079|36.858105| |2.190959|2.398852|2.442620|2.132895|2.196072|0.060657|1.927638|3.432721|2.339807|1.545991|1.475398|1.336351|1.312021|1.203752|1.131592|1.145250|1.237848|2.790249|3.469191|2.796776|4.788545|3.148114|4.181071|5.010870|7.972508|13.845937|36.858105| |2.138832|2.375130|2.496739|2.118880|2.212787|0.062346|1.938103|3.451441|2.351117|1.552399|1.498948|1.353916|1.328819|1.216666|1.142168|1.156081|1.251562|2.820785|3.469549|2.875633|5.091883|3.163374|4.194360|4.549974|6.872826|7.884936|13.581818|36.858105| |2.281276|2.612354|2.792619|2.343063|2.509369|0.071619|2.174520|3.888499|2.600355|1.703636|1.653110|1.479553|1.451482|1.318612|1.230793|1.245577|1.356452|3.050663|4.003905|3.465162|6.259475|3.818337|5.305355|5.261609|7.796555|6.748127|7.863429|13.842244|36.858105| |2.548632|3.001379|3.127799|2.699417|2.945891|0.082820|2.513905|4.526762|2.938485|1.903586|1.826657|1.620090|1.589049|1.432056|1.328817|1.344320|1.472589|3.302937|4.936807|4.404644|7.609969|5.188448|8.565162|8.339617|13.594208|7.888142|6.926732|8.045433|13.680409|36.858105| |2.693893|3.302824|3.451928|3.055652|3.511227|0.099814|2.965556|5.412516|3.370339|2.160138|2.080506|1.820504|1.786286|1.590543|1.462682|1.478342|1.632866|3.645424|6.157320|6.110499|10.607313|7.500067|13.865171|8.491972|8.481081|5.349779|4.639991|5.156330|7.597195|13.860062|53.358707| |2.657592|3.291370|3.575303|3.079070|3.611819|0.106646|3.047977|5.542903|3.467506|2.217882|2.169359|1.885923|1.845499|1.635864|1.502178|1.520613|1.685884|3.765995|6.137580|6.376181|12.578930|6.770663|9.091684|6.002998|5.967605|4.276770|3.936740|4.538553|6.636749|9.017314|26.059564|0.500000| |2.973512|3.439797|3.062680|3.233895|3.436526|0.086697|3.001191|5.491590|3.435763|2.218910|2.016334|1.792701|1.762102|1.584020|1.465032|1.479810|1.623242|3.622359|6.182552|4.607426|6.618594|6.269178|7.580417|12.666495|7.115024|5.613424|4.014206|3.511287|3.772217|5.063252|7.039787|0.116174|36.858105| |2.917793|3.434447|2.992398|3.473325|3.874402|0.094599|3.534958|6.747811|3.929765|2.549441|2.287064|2.026068|2.007499|1.787644|1.633617|1.640493|1.807617|3.988706|7.244314|5.190621|7.070314|7.561113|6.781495|7.663874|4.898700|3.955937|3.108348|2.865440|3.147343|4.071603|6.226921|0.108863|12.410956|36.858105| |3.261021|4.098582|3.560651|4.322213|5.291086|0.125644|4.662267|9.053703|4.837467|3.025788|2.700902|2.321383|2.276877|1.983813|1.797910|1.815748|2.034873|4.492345|11.662318|8.254495|9.759499|13.113532|7.962761|6.929324|4.572662|3.563964|2.912254|2.803530|3.198123|4.165686|6.998556|0.127483|7.720274|13.104861|53.358707| |4.015486|5.297491|4.224318|6.055733|7.590341|0.158634|6.222470|11.175041|6.120890|3.606980|3.072880|2.568485|2.454169|2.110440|1.925309|1.974699|2.249578|5.032651|18.575575|8.360423|9.863981|8.185629|5.754470|5.175062|3.792200|3.093896|2.598423|2.516037|2.832358|3.535056|5.755014|0.110283|5.739894|7.739403|19.107885|36.858105| |4.264866|5.231601|3.917137|6.203344|6.555555|0.135104|5.843685|10.010043|6.214388|3.703756|3.026089|2.563229|2.429603|2.106830|1.942280|2.004458|2.277746|5.132274|11.297487|5.575970|7.487225|5.465768|4.375954|4.259614|3.278123|2.801901|2.371360|2.263622|2.479658|3.000244|4.639048|0.089137|5.054915|6.556809|11.323466|15.959667|73.516695| |2.486570|3.054540|2.962218|3.222647|4.116422|0.111253|3.926645|8.168490|4.198398|2.758224|2.663675|2.320266|2.346783|2.042417|1.815214|1.798941|2.000228|4.325786|7.586287|7.638018|11.279257|12.418783|7.513692|5.322036|4.139668|3.207962|2.782854|2.847262|3.414444|4.344207|8.165200|0.162368|4.660153|5.740981|10.439511|5.530033|7.464336|36.858105| |17.550405|8.778586|6.919446|5.507577|4.014318|0.105462|3.151233|4.840660|4.105029|2.477740|2.189683|1.887674|1.725427|1.546450|1.496542|1.596042|1.793046|4.297351|5.145006|3.261608|5.461005|2.873414|2.891947|2.915542|2.721578|2.533541|2.313902|2.248032|2.366327|2.610086|3.659056|0.073190|2.940781|2.782452|4.122560|3.565375|6.584974|2.352455|0.500000| |17.550379|8.756512|5.486319|6.967921|4.564277|0.110980|3.684446|5.541738|4.877142|2.900352|2.450024|2.102728|1.908285|1.701708|1.646811|1.763999|1.995022|4.790523|5.657568|3.345731|5.390412|2.967374|2.845511|2.867232|2.565766|2.364837|2.119547|2.038888|2.154465|2.420562|3.467567|0.068910|3.041809|3.024177|4.499968|4.122535|8.290928|2.437809|0.301643|0.500000| |17.518079|8.757039|6.830234|6.855792|4.490306|0.118131|3.599027|5.291768|4.966643|2.926208|2.539312|2.154486|1.921845|1.709467|1.668078|1.810382|2.065070|5.066761|5.165384|3.180738|5.407226|2.708673|2.598968|2.534068|2.330766|2.144384|1.974001|1.947885|2.076460|2.282737|3.292229|0.067251|2.562704|2.550340|3.883207|3.458963|6.489304|2.277394|0.301781|0.301157|0.500000| |8.953446|17.547008|8.909985|8.904071|6.757654|0.162713|4.505830|6.845881|5.250871|3.003751|2.614296|2.188331|2.018021|1.769741|1.672143|1.761689|2.005218|4.694870|9.731136|5.504668|8.392917|4.550226|4.391253|4.246253|3.624888|3.119123|2.714518|2.645027|2.914693|3.451557|5.155733|0.101650|4.242079|4.117130|6.685621|6.378811|10.894380|3.375647|0.214290|0.213931|0.173810|0.500000| |6.790972|8.766600|17.509828|6.790565|5.512124|0.174522|4.023303|5.889297|5.252474|3.012843|2.780688|2.286542|2.042385|1.787516|1.717698|1.851700|2.136640|5.180563|6.135967|4.062051|7.550074|3.168803|3.038216|2.784224|2.595725|2.308086|2.158935|2.218302|2.459048|2.693036|4.023585|0.086061|2.624397|2.607309|4.173226|3.610139|6.094597|2.653371|0.168194|0.139070|0.200717|0.173478|0.500000| |5.476890|8.703230|17.570958|6.673151|6.703268|0.226904|4.429701|6.708983|5.225317|2.988711|2.787589|2.283167|2.087158|1.813446|1.709346|1.808160|2.077837|4.889340|8.441714|6.008944|11.624340|4.289972|4.136902|3.594355|3.293686|2.794797|2.574368|2.682760|3.095394|3.516557|5.509807|0.120316|3.220631|3.172539|5.311736|4.519040|7.029152|3.398407|0.141568|0.122284|0.138939|0.212885|0.301158|0.500000| |6.991824|8.797040|17.549991|5.452978|4.622864|0.136726|3.390845|5.230248|4.238164|2.518715|2.324337|1.965054|1.801371|1.596422|1.526985|1.619782|1.833440|4.356967|5.989679|4.131666|7.471499|3.379480|3.471357|3.270884|3.129205|2.789934|2.603815|2.662575|2.937251|3.223032|4.651954|0.097196|3.009791|2.832790|4.419766|3.691669|6.145669|2.730238|0.210790|0.142035|0.171859|0.212370|0.301909|0.302791|0.500000| |6.981740|8.930363|6.888931|17.505252|8.901627|0.219368|6.634640|8.365466|9.481171|4.645605|3.805267|2.975866|2.566853|2.190944|2.099543|2.301307|2.744788|6.750063|7.627541|4.281284|7.220487|3.345548|2.952049|2.720735|2.401464|2.125529|1.935142|1.938248|2.131357|2.400480|3.659084|0.076344|2.731913|2.908813|4.779531|4.573758|8.343480|2.826058|0.141890|0.172010|0.207013|0.175140|0.205650|0.166443|0.141416|0.500000| |7.137498|8.854552|5.476413|17.616887|8.852333|0.174402|6.843834|9.104234|8.593142|4.450816|3.463131|2.807972|2.502599|2.152666|2.041255|2.192572|2.563811|6.094087|9.076759|4.564832|6.999775|3.779892|3.271679|3.104469|2.635218|2.324235|2.060346|2.015234|2.197645|2.535272|3.848624|0.077630|3.294814|3.615436|5.938574|6.304299|13.320616|3.084551|0.144128|0.216267|0.174567|0.213298|0.140243|0.137638|0.123178|0.302443|0.500000| |4.073343|4.730822|4.138307|7.414052|7.374204|0.182702|9.391369|10.881378|26.147865|9.023920|6.180625|4.333437|3.486003|2.845624|2.709781|3.047722|3.870609|9.661162|6.574763|3.840128|6.516999|3.094946|2.620846|2.388899|2.097163|1.859978|1.700149|1.707866|1.878678|2.106148|3.245632|0.068144|2.425863|2.702100|4.442669|4.128458|7.582088|2.793130|0.092450|0.111048|0.118740|0.112665|0.121813|0.112676|0.093573|0.258415|0.194127|0.500000| |2.832293|3.071503|2.769156|4.061875|4.238334|0.108522|5.815696|8.998957|12.607672|17.600799|8.823328|6.874369|4.909598|3.908814|3.800491|4.515696|6.293724|15.647550|4.616091|2.893598|4.918799|2.518529|2.147069|1.987675|1.759907|1.585264|1.457862|1.458640|1.586057|1.757419|2.673617|0.055761|2.050911|2.319156|3.651349|3.179629|5.957338|2.409449|0.067798|0.080256|0.081723|0.078271|0.080077|0.076524|0.066722|0.123892|0.117405|0.231918|0.500000| |2.710162|3.048553|2.719920|4.028759|4.637920|0.114365|7.283588|13.281676|12.544066|17.629031|8.834319|6.893462|5.756886|4.295101|3.795784|4.064590|5.248384|10.889963|5.336354|3.330264|5.492952|2.951087|2.421069|2.217354|1.922622|1.710554|1.556327|1.553059|1.700532|1.912031|2.954065|0.061282|2.309374|2.715749|4.358678|3.784523|7.012907|2.888280|0.065537|0.077357|0.075139|0.080801|0.075798|0.077270|0.065693|0.112759|0.118110|0.183962|0.302350|0.500000| |2.442808|2.830113|2.736784|3.557712|4.423430|0.124781|6.349269|12.041595|9.546211|8.899132|17.594574|8.933749|7.196315|4.736069|3.970639|4.189025|5.636716|11.206091|5.084660|3.486102|6.232322|2.959914|2.433072|2.151039|1.903337|1.678189|1.552166|1.585224|1.764701|1.960628|3.085168|0.066171|2.134169|2.442914|3.996772|3.287908|5.576160|3.028536|0.060371|0.066605|0.068446|0.074355|0.077720|0.081048|0.065891|0.102189|0.094435|0.152457|0.174126|0.213284|0.500000| |2.529288|2.846862|2.786458|3.577412|4.071033|0.117315|5.301908|8.579851|9.555661|8.868014|17.563932|8.899182|5.719046|4.234122|3.976467|4.687381|6.996527|16.612522|4.449170|2.994571|5.431338|2.524157|2.155548|1.939313|1.745052|1.559308|1.454451|1.485355|1.638044|1.795174|2.770242|0.059390|1.924729|2.141557|3.429707|2.866351|4.995768|2.489750|0.062088|0.068369|0.073255|0.072333|0.082341|0.080194|0.066918|0.110150|0.093966|0.176236|0.212197|0.173926|0.302762|0.500000| |1.928604|2.155638|2.065455|2.570460|3.007994|0.082133|3.906639|7.978663|5.550883|5.296866|6.963727|8.951784|17.709037|8.924621|5.650508|4.957522|5.706324|9.616346|3.792868|2.671868|4.677357|2.464234|2.068121|1.869979|1.666981|1.491750|1.384090|1.404071|1.542654|1.698928|2.624734|0.055425|1.885399|2.173438|3.386882|2.649744|4.589287|2.639561|0.048686|0.053651|0.053555|0.058256|0.057775|0.060403|0.051454|0.071975|0.071144|0.095868|0.124183|0.160808|0.218870|0.145938|0.500000| |1.581435|1.712942|1.646402|1.975549|2.192893|0.059863|2.651447|5.138630|3.820428|3.475127|4.073914|5.619512|8.919411|17.724797|8.911427|5.646715|5.000197|8.327093|2.813073|1.993625|3.495349|1.892503|1.648272|1.525659|1.384349|1.262689|1.182279|1.194625|1.292959|1.402080|2.115507|0.044309|1.548970|1.750212|2.619909|2.016177|3.562586|2.013937|0.040470|0.044297|0.044170|0.046432|0.046245|0.047400|0.041852|0.055663|0.055356|0.070131|0.091367|0.103247|0.112600|0.097700|0.215579|0.500000| |1.501281|1.588797|1.528936|1.819106|1.944207|0.053197|2.291656|4.220456|3.436763|3.112842|3.535035|4.912720|5.643811|8.903952|17.723073|8.930092|5.684923|9.614335|2.446576|1.712054|3.013831|1.610837|1.431187|1.340978|1.229548|1.133775|1.067650|1.076518|1.154951|1.241322|1.847934|0.038639|1.364801|1.513433|2.242483|1.749668|3.143080|1.666151|0.038462|0.042121|0.042556|0.042547|0.043540|0.043307|0.039069|0.052306|0.051151|0.065569|0.088215|0.088076|0.090388|0.090544|0.124146|0.214336|0.500000| |1.680668|1.758143|1.691179|2.035797|2.122918|0.058277|2.496857|4.392662|3.950869|3.639185|4.102641|5.622339|4.960477|5.629254|8.835137|17.738517|8.980610|16.819722|2.583448|1.775741|3.138287|1.633234|1.456241|1.365600|1.253765|1.156618|1.089701|1.098926|1.178560|1.265884|1.881450|0.039433|1.388272|1.525434|2.279847|1.820485|3.301603|1.646327|0.042673|0.047022|0.048518|0.046197|0.049013|0.047290|0.042930|0.060183|0.057093|0.077720|0.110999|0.096334|0.096741|0.111584|0.107640|0.123647|0.212775|0.500000| |2.392226|2.598834|2.504608|2.323055|2.364831|0.063245|2.081036|3.718899|2.508824|1.654110|1.548350|1.402548|1.377892|1.262737|1.185433|1.199111|1.297066|2.918897|3.818864|2.962734|4.814325|3.475952|4.564357|6.452676|8.843659|17.706571|8.932318|5.614982|4.886065|5.609099|5.892834|0.099100|5.894032|4.029043|4.715229|3.033622|5.011312|2.969828|0.069695|0.066084|0.058719|0.084179|0.060901|0.072003|0.072951|0.057456|0.063949|0.050440|0.043369|0.046795|0.045052|0.041965|0.040401|0.034437|0.031034|0.031647|0.500000| |2.035089|2.181721|2.210008|1.946400|1.979768|0.054544|1.755909|3.120168|2.155488|1.434297|1.368827|1.248143|1.226097|1.131286|1.067825|1.080647|1.162836|2.624294|3.073322|2.430590|4.169096|2.697175|3.414272|4.035521|5.655947|8.956824|17.717763|8.882790|5.627697|4.980115|5.005720|0.089548|3.473192|2.749384|3.476355|2.314869|3.825557|2.421922|0.060015|0.055018|0.051247|0.067825|0.054893|0.063767|0.065647|0.049459|0.052604|0.043648|0.037801|0.040118|0.039787|0.037523|0.035785|0.030896|0.028078|0.028657|0.215450|0.500000| |1.963316|2.150720|2.281229|1.927844|2.001280|0.056730|1.769772|3.144780|2.170989|1.443259|1.402122|1.273430|1.250309|1.150189|1.083482|1.096683|1.182897|2.669132|3.073694|2.522357|4.530813|2.713871|3.426743|3.621467|4.951882|5.635507|8.883153|17.714290|8.977136|5.689963|5.628465|0.106312|2.932996|2.466949|3.304807|2.214701|3.582202|2.496926|0.057467|0.051911|0.050222|0.065405|0.057151|0.067600|0.067818|0.049576|0.050927|0.043945|0.037832|0.039991|0.041069|0.038746|0.036576|0.031400|0.028445|0.029040|0.123980|0.215582|0.500000| |2.172505|2.492101|2.726507|2.257577|2.438297|0.070870|2.126920|3.802693|2.557106|1.681323|1.651160|1.478275|1.450508|1.317849|1.230005|1.244599|1.355210|3.047312|3.815174|3.339146|6.279227|3.546447|4.618014|4.293358|5.570451|4.886437|5.599142|8.898021|17.711977|8.834191|9.140177|0.186902|3.218718|2.810164|3.986071|2.635806|4.103719|3.279429|0.062279|0.056577|0.055654|0.075594|0.067666|0.084924|0.079278|0.057754|0.058295|0.051335|0.043434|0.046363|0.049121|0.045689|0.042827|0.035899|0.032064|0.032712|0.106378|0.123728|0.215027|0.500000| |3.391268|3.852669|3.313151|3.496531|3.536222|0.088073|3.017784|5.356592|3.499629|2.235026|2.005289|1.777007|1.727565|1.554194|1.448996|1.475191|1.621885|3.653912|6.190469|4.338654|6.293562|5.274449|6.092915|8.900504|6.149565|5.263329|3.849310|3.334790|3.503364|4.511928|6.124104|0.104715|17.516691|8.813662|8.983875|5.755139|9.633066|3.912237|0.094154|0.097775|0.079244|0.136683|0.077928|0.094040|0.091459|0.081120|0.100340|0.069699|0.057973|0.064133|0.058250|0.053499|0.050861|0.041969|0.037487|0.038609|0.158972|0.094419|0.078313|0.083623|0.500000| |2.595775|2.902811|2.624811|2.747222|2.883680|0.073689|2.594245|4.776465|3.036763|2.001203|1.832592|1.653641|1.637640|1.487589|1.379301|1.386492|1.506914|3.352725|4.936659|3.697741|5.543627|4.844737|5.763848|8.867978|6.485209|5.793015|4.100869|3.456123|3.562947|4.558257|5.988100|0.100404|17.532853|8.852153|7.679946|4.426427|7.287795|4.007671|0.072009|0.074204|0.063088|0.096204|0.063699|0.075937|0.072447|0.065979|0.078261|0.059658|0.051790|0.058062|0.053667|0.048585|0.048562|0.040642|0.035903|0.036245|0.183774|0.100921|0.080790|0.084142|0.303399|0.500000| |2.965051|3.388923|2.862413|3.496565|3.760752|0.089768|3.526177|6.665545|3.995942|2.613886|2.296686|2.048783|2.025268|1.810697|1.661908|1.671843|1.838422|4.061777|6.643971|4.409793|6.160905|5.612556|4.987748|5.576975|3.985445|3.420096|2.751578|2.522851|2.710189|3.362836|4.999885|0.090316|8.741488|17.655321|12.612455|7.418397|13.338551|4.563164|0.077768|0.087868|0.071956|0.111524|0.070094|0.082177|0.075030|0.081426|0.105319|0.076450|0.066698|0.078308|0.067187|0.059391|0.060466|0.049147|0.042803|0.043260|0.099435|0.069187|0.061348|0.067971|0.219924|0.202397|0.500000| |2.514460|2.916426|2.620834|2.984296|3.375340|0.084556|3.204536|6.299148|3.608482|2.402339|2.195474|1.972859|1.986571|1.780133|1.616181|1.605842|1.755106|3.832872|6.049705|4.582062|6.516602|6.818902|6.131588|6.613936|4.565854|3.747508|3.000209|2.787766|3.060158|3.896848|5.955860|0.104820|8.817838|17.585470|12.561696|5.836226|8.975188|6.183668|0.066927|0.071893|0.062285|0.093834|0.064582|0.077741|0.069197|0.071301|0.085484|0.068361|0.060581|0.071643|0.065651|0.056814|0.060234|0.048889|0.041747|0.041391|0.105383|0.074060|0.067084|0.076488|0.174337|0.221909|0.302492|0.500000| |2.459086|3.009524|2.878645|3.317522|4.370930|0.116460|4.486666|10.071560|4.700222|3.132489|3.036038|2.629230|2.689249|2.303448|2.014980|1.984854|2.221002|4.741075|7.732383|7.070580|10.533892|8.832263|5.504934|4.266751|3.405027|2.749055|2.416346|2.458934|2.877746|3.515560|6.216854|0.127440|4.014792|5.157041|9.565379|5.611552|7.729653|17.585457|0.063653|0.067440|0.063240|0.090311|0.072898|0.090798|0.072477|0.081482|0.088989|0.084493|0.074461|0.092739|0.098042|0.077147|0.085796|0.063105|0.050984|0.049944|0.072045|0.059459|0.060909|0.077672|0.097218|0.097296|0.121860|0.152598|0.500000| 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