Version2.1 2020-12-27T19:17:06Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 02-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(c(c1F)C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@@H](C)CCCC(C)(C)O)Cl C39631649 RHF 6-31G(d) (6D,7F) Cc1ccc(c(c1F)C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@@H](C)CCCC(C)(C)O)Cl C01[X(C25H38Cl1F1N3O3)] 207 C1 575 C[C@H](NC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1c(Cl)ccc(c1F)C)CCCC(O)(C)C C[C@H](NC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1c(Cl)ccc(c1F)C)CCCC(O)(C)C C[C@@H](CCCC(C)(C)O)NC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3c(Cl)ccc(C)c3F InChIKey=ALTIMCVDMKITQK-ZWKOTPCHSA-O InChI=1S/C25H37ClFN3O3/c1-16-7-8-19(26)20(21(16)27)23(32)30-14-18(25(15-30)10-12-28-13-11-25)22(31)29-17(2)6-5-9-24(3,4)33/h7-8,17-18,28,33H,5-6,9-15H2,1-4H3,(H,29,31)/p+1/t17-,18+/m0/s1 InChI=1/C25H37ClFN3O3/c1-16-7-8-19(26)20(21(16)27)23(32)30-14-18(25(15-30)10-12-28-13-11-25)22(31)29-17(2)6-5-9-24(3,4)33/h7-8,17-18,28,33H,5-6,9-15H2,1-4H3,(H,29,31)/p+1/t17-,18+/m0/s1/fC25H38ClFN3O3/h28-29H/q+1 Cc1ccc(c(c1F)C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@@H](C)CCCC(C)(C)O)Cl C01[X(C25H38Cl1F1N3O3)] 207 C01 575 C[C@H](NC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1c(Cl)ccc(c1F)C)CCCC(O)(C)C C[C@H](NC(=O)[C@H]1CN(CC21CC[NH2]CC2)C(=O)[C]1[C]([CH][CH][C]([C]1F)C)Cl)CCCC(O)(C)C C[C]1[CH][CH][C](Cl)[C]([C]1F)C(=O)N2C[C@H](C(=O)N[C@@H](C)CCCC(C)(C)O)C3(CC[NH2]CC3)C2 InChIKey=CDORXAYHIURWSP-ZWKOTPCHSA-N InChI=1S/C25H38ClFN3O3/c1-16-7-8-19(26)20(21(16)27)23(32)30-14-18(25(15-30)10-12-28-13-11-25)22(31)29-17(2)6-5-9-24(3,4)33/h7-8,17-18,33H,5-6,9-15,28H2,1-4H3,(H,29,31)/t17-,18+/m0/s1 InChI=1/C25H38ClFN3O3/c1-16-7-8-19(26)20(21(16)27)23(32)30-14-18(25(15-30)10-12-28-13-11-25)22(31)29-17(2)6-5-9-24(3,4)33/h7-8,17-18,33H,5-6,9-15,28H2,1-4H3,(H,29,31)/t17-,18+/m0/s1/f/h29H 3914.9998550855 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1.8310 1.3739 1.7369 1.9557 1.4099 1.7677 2.5940 2.3414 1.8178 2.7497 2.4765 1.8727 1.4842 2.3442 1.9927 2.8095 2.8263 1.7678 1.7398 2.4148 2.1383 1.2258 1.9618 1.8377 1.6638 2.0399 1.4535 2.0482 1.7751 1.6039 2.0956 2.4354 1.3485 2.2462 1.8061 1.3089 1.3529 1.2347 1.1661 1.2222 1.3377 1.3779 1.4740 1.4220 1.4829 1.3736 1.6241 1.4030 1.4057 2.6491 1.5448 1.5510 1.4462 1.3207 1.3751 1.5296 1.2908 1.3222 3.4156 1.0917 1.0593 1.0438 1.0677 1.0747 1.0786 1.0991 1.5945 1.0512 1.1018 1.4766 1.2617 1.0836 1.0989 1.1229 1.1014 1.0986 1.0912 1.1028 1.9372 6.7935 8.2407 1.0728 8.5838 12.3665 1.0649 1.0749 1.0571 1.0441 1.0414 1.0421 1.0852 1.0369 1.0966 1.0910 1.0718 1.0732 1.0631 1.0963 1.1032 1.0641 1.0651 1.1002 1.1030 1.0625 1.0993 1.1036 1.1042 1.1015 1.1035 1.0937 1.0931 1.0889 1.1052 1.1061 1.1099 1.1087 1.0915 1.0957 1.0751 1.0805 1.0786 1.0667 0.0006 0.0011 0.0043 0.0042 0.0029 0.0047 0.0099 0.0129 0.0150 0.0129 0.0087 0.0237 0.0297 0.0248 0.0745 0.0599 0.0377 0.0443 0.0807 0.0685 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 8622.6636 29687.5231 31697.6369 0.99996 0.00455 -0.00811 -0.00453 0.99999 0.00293 0.00813 -0.00289 0.99996 1 0.01004 0.00292 0.00273 0.20930 0.06079 0.05694 18.09 24.68 47.86 52.07 56.17 66.14 81.11 105.25 125.22 137.04 144.50 164.58 168.01 185.50 197.79 208.78 210.95 224.19 252.75 277.31 297.71 307.03 324.90 346.02 359.43 370.75 376.51 390.51 403.85 409.58 423.33 450.22 452.83 492.78 495.81 507.56 523.82 558.29 565.38 576.38 593.28 615.61 631.71 642.57 662.55 688.58 708.00 712.90 723.54 766.76 769.83 797.09 811.71 843.39 859.15 897.30 926.07 970.35 993.26 1022.26 1060.25 1132.69 1155.72 1187.78 1199.21 1228.17 1234.81 1242.51 1251.61 1269.68 1332.97 1343.89 1345.43 1363.90 1380.61 1385.07 1418.66 1428.76 1432.52 1469.88 1475.89 1482.85 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0.662472 0.694790 0.695734 0.597005 -1914.879206 -1914.846888 -1914.845944 -1914.944673 3.311387D-04 MUNgauss RevisionA2.0 retrievium 27-Dec-2020 DUDE Cc1ccc(c(c1F)C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@@H](C)CCCC(C)(C)O)Cl C39631649 RHF 6-31G(d) (6D,10F) C1 482.258573 |X|Y|Z| 56.222968 44.621907 120.183254 67.055636 17 6 7 15 2 |36.858105| |12.630681|36.858105| |7.480393|13.732445|36.858105| |4.982830|7.858734|13.746752|36.858105| |4.422962|6.805342|7.970693|13.799512|36.858105| |5.000123|7.804901|6.873919|7.920489|13.730308|36.858105| |7.580265|13.788855|8.108348|6.982960|8.056300|13.816651|36.858105| |6.816277|8.150091|5.328301|4.685727|5.329638|8.217437|14.240362|97.533100| |3.816176|5.020138|4.454160|5.000274|7.471024|12.624755|7.650412|15.711601|36.858105| |3.372614|4.225312|3.831968|4.265878|5.913578|8.057935|5.858837|12.741910|15.914189|73.516695| |3.407117|4.223709|3.761402|4.112313|5.592986|7.824926|5.931743|13.491330|14.076778|15.160141|53.358707| |3.493246|4.253036|3.808886|4.062805|5.143868|6.544375|5.585811|12.494112|7.565141|9.400250|17.771747|36.858105| |2.802053|3.201248|2.918853|3.072111|3.681516|4.345772|3.921688|9.256517|5.183327|7.449857|11.057196|12.400072|36.858105| |2.511301|2.884949|2.722077|2.940846|3.526725|3.942498|3.445850|7.819267|4.671513|6.943472|9.292262|8.875538|17.534649|0.500000| |2.649758|2.972718|2.663396|2.775205|3.338307|4.059467|3.703806|9.251549|5.304256|8.225445|11.065722|7.810478|12.197702|0.246923|36.858105| |2.783614|3.250777|2.939799|3.162990|4.020154|5.034082|4.220454|10.169269|7.856163|12.426110|17.931581|7.873415|8.031422|0.198333|12.380027|36.858105| |2.836132|3.055166|2.636380|2.637341|3.072933|3.829567|3.790398|10.314442|4.727321|7.513739|8.524114|6.131895|7.384144|0.152187|12.316468|7.513322|36.858105| |2.502501|2.642639|2.304572|2.302472|2.647637|3.220964|3.197733|8.652088|3.971528|6.883054|6.421650|4.259666|4.827343|0.112915|7.433871|5.978044|12.508408|36.858105| |2.110445|2.227570|1.998162|2.021784|2.303641|2.691826|2.618577|6.737818|3.256732|5.705134|5.261800|3.609569|4.365472|0.108825|6.456582|5.027659|7.709651|12.690014|53.358707| |1.969494|2.060954|1.856919|1.874397|2.117236|2.447970|2.393473|6.129898|2.925422|5.253705|4.539286|3.076456|3.564444|0.090979|4.904068|4.207112|5.690006|9.202115|25.708304|0.500000| |2.046891|2.135962|1.919477|1.928930|2.169258|2.508812|2.472460|6.337151|2.943906|5.055300|4.762480|3.440090|4.258156|0.105850|5.792916|4.308289|7.055595|9.158464|25.358552|0.327392|0.500000| |2.023676|2.186384|2.000866|2.071689|2.397256|2.756190|2.579924|6.399425|3.419217|6.012729|5.680106|3.821949|4.835078|0.128526|7.431163|5.911267|6.501073|7.668200|17.311368|0.256206|0.253014|36.858105| |2.183934|2.400027|2.205126|2.305812|2.701180|3.109583|2.858753|6.974800|3.871480|6.430928|6.998137|5.005923|7.431586|0.200646|12.392713|7.438749|7.554425|6.500981|10.471306|0.157910|0.194276|12.492909|36.858105| |2.700168|2.951453|2.681488|2.727291|3.089598|3.542527|3.430412|8.226337|3.863565|5.757802|7.048567|7.492094|12.473681|0.245612|7.304044|5.031324|6.342327|4.299417|5.447063|0.091784|0.116582|4.119167|5.788251|36.858105| |2.973287|3.151530|2.782531|2.735201|3.027287|3.532388|3.619644|9.003115|3.711406|5.540329|6.424653|6.572368|8.021549|0.163576|6.005381|4.409118|6.398531|4.324190|5.216390|0.089186|0.113111|3.677760|4.697844|15.809635|73.516695| |2.298731|2.486234|2.322821|2.383951|2.652087|2.915197|2.798335|6.552956|3.142103|4.847470|5.438435|5.221362|7.787392|0.209659|5.472188|4.045704|4.685649|3.566140|4.859393|0.083701|0.106476|3.791694|5.234153|14.147188|15.087211|53.358707| |2.119439|2.229555|2.090168|2.108180|2.278004|2.467614|2.434041|5.715012|2.583302|4.063856|4.240541|3.876311|4.963482|0.132749|3.987032|3.124679|3.758093|3.037838|4.185187|0.074173|0.094070|3.133993|3.937654|7.706484|12.046145|17.685672|36.858105| |2.290429|2.374100|2.198745|2.179102|2.328594|2.543883|2.570071|6.094270|2.613113|4.081368|4.241025|3.929494|4.751721|0.120363|3.840569|3.042057|3.823777|3.053926|4.068905|0.072413|0.091354|2.945560|3.606181|7.631501|14.411361|12.736266|17.650226|0.500000| |1.956164|2.065410|1.983936|2.019182|2.150518|2.259702|2.208927|5.046388|2.318903|3.670174|3.706079|3.335199|3.990053|0.113457|3.213128|2.684900|2.964374|2.479704|3.419671|0.062051|0.075038|2.612122|3.197248|5.316507|8.409352|10.585815|12.482730|0.247414|36.858105| |1.888220|1.961118|1.832725|1.842774|1.989271|2.161348|2.139761|5.098636|2.298652|3.709157|3.714063|3.193196|4.062617|0.109272|3.648114|2.850350|3.556251|3.039054|4.399357|0.078698|0.102860|3.239646|3.881770|5.540150|9.122563|10.394236|12.377924|0.247309|7.504532|36.858105| |1.947430|2.013326|1.850708|1.851253|2.018645|2.240919|2.231739|5.458542|2.437020|3.968259|3.968734|3.313736|4.302306|0.110754|4.222021|3.150997|4.359284|3.783510|5.668354|0.099083|0.141669|3.970434|4.633976|5.657433|9.662051|8.933363|7.433866|0.184768|4.879042|12.454074|36.858105| |1.732713|1.769109|1.631759|1.625864|1.757051|1.936177|1.939189|4.748898|2.098422|3.492153|3.314954|2.659585|3.265490|0.085678|3.361840|2.650090|3.560741|3.368748|5.236299|0.096362|0.133215|3.556805|3.771851|3.914540|6.901085|5.872332|4.838487|0.126290|3.723396|7.388847|12.431503|36.858105| |1.692828|1.729124|1.587667|1.584250|1.723588|1.913801|1.911820|4.732030|2.110446|3.575417|3.309591|2.557084|3.105974|0.081268|3.423978|2.724499|3.720528|3.808228|6.377735|0.120865|0.172393|4.108012|3.984392|3.476911|6.110555|4.923994|3.708379|0.098200|2.970122|4.857665|7.382042|12.341137|36.858105| |1.551569|1.565088|1.440454|1.428259|1.536661|1.693958|1.707700|4.219346|1.843468|3.155597|2.819370|2.153758|2.510134|0.065999|2.736813|2.280789|3.003685|3.159738|5.067135|0.101848|0.127453|3.243678|3.065740|2.766090|4.973233|3.871144|2.971755|0.080681|2.492908|3.731881|4.908438|7.535508|12.480238|36.858105| |1.597145|1.654016|1.534681|1.551917|1.701996|1.875129|1.837611|4.488538|2.097543|3.592593|3.296022|2.498198|3.070390|0.083152|3.448590|2.788058|3.510157|3.664627|6.572179|0.126721|0.168598|4.652700|4.344200|3.271624|5.485472|4.726993|3.408884|0.086995|2.830678|4.322439|5.847989|7.503802|12.490160|7.612784|36.858105| |1.886236|1.924634|1.740221|1.727352|1.894464|2.145779|2.159450|5.469918|2.399075|4.064091|3.791572|2.891180|3.511222|0.088553|4.093880|3.166087|4.834055|5.177372|8.853225|0.161697|0.276291|4.962242|4.632068|3.861057|6.961144|5.103633|3.648845|0.099676|2.861030|4.385241|6.757525|7.768721|13.205568|7.903864|8.083109|73.516695| |3.151004|4.198040|4.776217|7.058894|10.956232|7.023124|4.790542|8.522117|6.151468|9.671793|6.896571|4.533886|3.519641|0.099858|3.208011|3.964617|2.803744|2.464455|3.023441|0.056947|0.057842|2.394225|2.707717|2.885593|4.821939|3.497619|2.188792|0.060609|2.103612|1.926086|1.938029|1.694208|1.666760|1.482402|1.679141|3.213089|448.794386| |17.566334|8.851974|5.842222|4.279673|3.970182|4.591379|6.730761|15.392973|3.672138|5.679674|4.684682|3.672863|2.978342|0.072947|2.784868|2.831301|3.045681|2.639001|3.014339|0.057017|0.060309|2.099392|2.281827|2.957205|5.973622|3.388355|2.314862|0.070679|2.113598|2.049375|2.115790|1.870224|1.812197|1.656981|1.689194|3.603445|23.509743|0.500000| |17.569215|8.859017|5.854324|4.284298|3.973730|4.595045|6.727775|15.286864|3.697014|6.033145|4.425497|3.208370|2.632642|0.065571|2.572590|2.723845|2.803159|2.541710|2.893068|0.055617|0.056903|2.016521|2.135377|2.517256|4.910575|2.928263|1.986135|0.059287|1.821977|1.799099|1.879320|1.690944|1.672512|1.542918|1.578425|3.334586|23.502942|0.302416|0.500000| |17.602050|8.890849|7.188963|4.723599|3.958477|4.157879|5.599405|11.110617|3.236617|5.176281|3.978340|3.020845|2.480852|0.062861|2.329895|2.435478|2.457524|2.193825|2.570316|0.049241|0.051142|1.822439|1.961878|2.418186|4.688382|2.863441|1.965913|0.058882|1.843841|1.755156|1.790143|1.604387|1.560838|1.440665|1.475969|3.055431|23.446094|0.301455|0.301505|0.500000| |6.917119|8.948558|17.725895|8.963011|5.673039|4.953255|5.719750|9.617884|3.559891|5.624709|4.237128|3.193021|2.549256|0.066633|2.333441|2.525975|2.325587|2.060059|2.461440|0.046987|0.048589|1.804249|1.973164|2.399219|4.446289|2.881082|1.940111|0.056833|1.862473|1.710127|1.715546|1.525547|1.479881|1.353636|1.427442|2.861624|31.700986|0.150770|0.151166|0.219472|0.500000| |4.065165|5.613993|8.898093|17.758646|8.948106|5.645141|5.012122|8.341905|4.074585|6.434217|4.740937|3.470914|2.739516|0.074462|2.473606|2.790773|2.330378|2.060383|2.507299|0.047701|0.049004|1.900930|2.107628|2.461265|4.345092|2.998158|1.967744|0.056116|1.916435|1.726332|1.718174|1.518572|1.476530|1.337139|1.453725|2.832975|54.057895|0.099067|0.099164|0.112336|0.215829|0.500000| |4.095717|4.892104|4.127955|4.135038|4.952513|6.544220|6.468363|15.363367|6.638216|8.497623|12.286991|17.639921|8.799293|0.175665|6.464514|6.088674|6.184027|4.238238|4.728551|0.082882|0.093559|3.479202|4.331141|7.294524|13.622093|6.701730|3.871178|0.114566|3.282748|3.178819|3.319984|2.672965|2.552064|2.171044|2.426810|5.184530|32.283338|0.124477|0.102619|0.095848|0.095876|0.096250|0.500000| |3.402025|4.248706|4.044316|4.520014|5.747249|6.488075|5.271712|10.731110|6.611204|8.458134|12.267890|17.601636|8.749316|0.225032|5.697035|6.002185|4.569489|3.443875|4.140671|0.073647|0.081337|3.269715|4.190358|6.277364|9.681980|6.651587|3.713737|0.103507|3.371941|3.001897|2.992718|2.429586|2.307852|1.967192|2.273626|4.516205|42.164915|0.097763|0.085031|0.083706|0.094152|0.108748|0.301153|0.500000| |2.484758|2.904774|2.721051|3.001299|3.806401|4.433082|3.632215|8.345426|6.485946|10.961934|12.354579|6.387117|6.846338|0.200836|8.747614|17.514776|5.500448|4.760695|6.039114|0.106234|0.107060|5.665427|7.152603|4.460852|6.749745|5.228600|2.974943|0.078683|2.626339|2.729526|2.951865|2.509812|2.575137|2.164181|2.710008|5.159638|32.676649|0.069510|0.067306|0.061536|0.065643|0.075303|0.136028|0.153132|0.500000| |2.751381|3.163943|2.826930|2.996724|3.752551|4.745846|4.105863|10.247489|7.452565|13.963465|12.497825|5.814182|5.693516|0.141905|8.589376|17.644260|7.076679|6.683032|7.223540|0.127776|0.120440|5.923374|6.220047|4.097570|6.741534|4.607378|2.736407|0.074840|2.366030|2.563182|2.875988|2.497115|2.632354|2.242688|2.690920|5.517469|29.246052|0.076943|0.076623|0.066637|0.067789|0.073447|0.139616|0.129599|0.303179|0.500000| |3.360828|3.629876|3.016850|2.960685|3.461829|4.530464|4.680827|13.792454|5.517376|8.460924|9.575376|6.755577|6.675331|0.137276|8.753263|7.108975|17.597230|8.979029|7.634567|0.127194|0.143811|4.886764|5.499197|5.755946|11.170179|5.691616|3.439739|0.100143|2.785237|3.162815|3.701432|3.081728|3.155945|2.650187|2.948866|7.041863|24.183236|0.101110|0.092566|0.078800|0.072883|0.071200|0.209462|0.135911|0.141433|0.192954|0.500000| |2.716599|2.855111|2.478242|2.449395|2.779161|3.361832|3.410662|9.134418|3.891442|6.163143|6.758630|5.415292|6.868048|0.143002|8.763021|5.505028|17.628089|8.952428|9.450602|0.145221|0.207356|5.655086|6.679548|7.307860|14.287485|7.280343|4.406828|0.127363|3.302978|4.232265|5.493928|4.279294|4.343963|3.403805|3.871274|10.371421|20.346941|0.082680|0.073902|0.066084|0.061593|0.060672|0.158966|0.117142|0.122818|0.141140|0.305880|0.500000| |2.518331|2.693892|2.355056|2.373176|2.763063|3.386506|3.302598|8.891951|4.335651|7.927508|6.701664|4.105454|4.386055|0.105877|6.615117|6.452333|8.703320|17.630151|12.423434|0.224342|0.180200|7.036647|5.742841|3.726741|6.560636|4.267630|2.671587|0.074268|2.245891|2.638975|3.154732|2.851461|3.191567|2.733339|3.168842|7.249003|20.782903|0.072300|0.071903|0.061216|0.058167|0.058882|0.111200|0.093425|0.142389|0.232276|0.212346|0.173386|0.500000| |2.499363|2.564242|2.216084|2.173350|2.446086|2.953902|3.036843|8.369487|3.477949|6.042138|5.370002|3.685861|4.025261|0.094988|5.442692|4.578960|8.809012|17.626338|12.381540|0.223799|0.223470|5.610034|4.882274|3.826230|7.189444|4.384568|2.858890|0.081472|2.341067|2.898534|3.628854|3.343715|3.824826|3.288641|3.512650|9.524650|18.002071|0.073903|0.071342|0.060914|0.055562|0.054110|0.106090|0.084684|0.105006|0.140274|0.212826|0.218566|0.301786|0.500000| |2.034032|2.217447|2.035489|2.124591|2.484340|2.861256|2.637272|6.503681|3.648773|6.681720|5.880577|3.714060|4.396483|0.118494|6.624876|6.381786|5.740190|7.047687|12.442576|0.224659|0.179710|17.613897|8.746779|3.610292|5.807398|4.473406|2.736968|0.072252|2.343219|2.767220|3.260787|2.962321|3.360680|2.786236|3.741104|7.057266|20.147997|0.057864|0.056715|0.050827|0.050790|0.054132|0.093053|0.088991|0.175576|0.194939|0.128950|0.131918|0.213786|0.144585|0.500000| |1.819697|1.950405|1.805360|1.869602|2.133661|2.399279|2.256119|5.517498|2.889626|5.105457|4.664012|3.227852|4.033588|0.111313|5.441940|4.531199|4.883899|5.605207|12.378816|0.224013|0.221336|17.629427|8.782570|3.616692|5.751411|4.778237|2.995934|0.077096|2.535838|3.205895|3.914551|3.667290|4.376008|3.448902|5.448762|8.831057|17.307600|0.052383|0.050327|0.046000|0.045665|0.048171|0.082348|0.079201|0.126639|0.124946|0.107667|0.127083|0.144391|0.126735|0.301464|0.500000| |2.092405|2.264955|2.085872|2.158712|2.476215|2.809803|2.641484|6.436489|3.336489|5.475960|5.866846|4.547639|6.949117|0.187305|8.825777|5.481660|6.689714|5.637250|9.395092|0.144586|0.204273|8.937387|17.597673|6.466708|9.112571|8.648361|4.752520|0.116830|3.682094|4.895424|6.151273|4.701086|4.820610|3.498357|5.262753|9.682725|19.748558|0.061410|0.056514|0.052567|0.052359|0.055138|0.113473|0.108336|0.145869|0.130753|0.137522|0.191951|0.131657|0.126678|0.173665|0.217739|0.500000| |2.067012|2.298726|2.155372|2.296033|2.705916|3.032196|2.715915|6.419401|3.773376|6.332489|6.703133|4.728063|6.710024|0.212934|8.785293|7.009735|5.495806|4.894833|7.630753|0.127286|0.142696|8.982460|17.562834|5.066597|7.186049|6.631531|3.670558|0.091632|3.127174|3.563385|3.984422|3.315404|3.433835|2.721927|3.860086|6.703691|22.627676|0.059330|0.055903|0.052035|0.053656|0.058934|0.109775|0.115941|0.223058|0.158775|0.123173|0.137098|0.129362|0.107750|0.214317|0.212207|0.304241|0.500000| |2.155335|2.360139|2.241800|2.344058|2.629959|2.840426|2.658150|6.114370|3.101457|4.831528|5.364318|4.969116|7.439188|0.239973|5.313743|4.085006|4.242409|3.348445|4.680127|0.081307|0.100531|3.841825|5.429927|9.414305|10.871536|26.048747|8.969990|0.181547|7.198274|6.430715|5.531208|3.912455|3.380066|2.677384|3.407414|6.108682|21.132578|0.063831|0.056198|0.055107|0.056747|0.060750|0.123127|0.134243|0.112809|0.093804|0.104757|0.127192|0.083680|0.082808|0.093254|0.100422|0.180340|0.151156|0.500000| |1.821579|1.939198|1.878829|1.936733|2.077198|2.164855|2.083298|4.731658|2.249720|3.595413|3.593592|3.157870|3.830205|0.114062|3.140336|2.653337|2.816482|2.397097|3.372560|0.061446|0.073557|2.641591|3.241109|4.744643|7.209708|9.505561|8.772613|0.173507|17.523883|6.731313|4.553769|3.584307|2.914819|2.440466|2.881773|4.911756|16.681156|0.054022|0.047399|0.047774|0.048954|0.051407|0.083958|0.089364|0.073691|0.064841|0.072673|0.085442|0.060832|0.062246|0.065879|0.072312|0.103873|0.090571|0.209378|0.500000| |1.836707|1.910486|1.836169|1.850965|1.946077|2.037754|2.016739|4.623015|2.073649|3.316051|3.249191|2.855141|3.307352|0.092531|2.777924|2.356107|2.640622|2.260677|3.124447|0.057435|0.068940|2.346991|2.778473|4.267291|7.180766|7.643374|8.825942|0.211223|17.570427|6.928574|4.506495|3.648335|2.864521|2.465032|2.687833|4.815143|15.203392|0.055228|0.047680|0.048449|0.048359|0.049020|0.079431|0.079788|0.063847|0.058723|0.069448|0.081971|0.056975|0.060222|0.058756|0.063878|0.088193|0.075052|0.143874|0.302103|0.500000| |2.081879|2.215210|2.148250|2.192401|2.318539|2.407521|2.349362|5.277998|2.422769|3.789707|3.850216|3.547238|4.061282|0.115750|3.157870|2.705837|2.893780|2.395628|3.231757|0.058772|0.069730|2.471981|3.030282|5.294899|8.462025|9.585335|8.801620|0.215394|17.576521|5.470705|4.040546|3.159229|2.618710|2.231491|2.503960|4.598362|18.134516|0.062507|0.053235|0.054722|0.056074|0.057950|0.097372|0.102958|0.073479|0.065857|0.077267|0.087962|0.060960|0.062755|0.062594|0.065812|0.093793|0.083035|0.183174|0.300625|0.301320|0.500000| |1.808631|1.853009|1.734589|1.728744|1.840982|1.987353|1.991840|4.741427|2.080768|3.375442|3.290072|2.800945|3.387522|0.090610|3.079874|2.487211|3.090532|2.701681|3.860350|0.070530|0.089770|2.784346|3.208101|4.470579|7.858576|7.638743|8.926865|0.221973|6.775925|17.525898|8.804648|6.932729|4.471355|3.670292|3.842867|7.036605|14.219880|0.054719|0.047894|0.047044|0.045366|0.045167|0.078890|0.073887|0.066058|0.063113|0.078278|0.101316|0.065762|0.073200|0.067295|0.076844|0.107552|0.082415|0.134560|0.162266|0.204203|0.140693|0.500000| |1.743855|1.824221|1.723875|1.751500|1.895098|2.035948|1.988428|4.686036|2.178798|3.549935|3.501831|2.951064|3.750614|0.105581|3.413550|2.725938|3.209003|2.814159|4.179598|0.075617|0.096432|3.187943|3.798500|4.727055|7.456228|8.984712|8.790690|0.174412|7.089888|17.496659|8.859074|6.581480|4.608652|3.577422|4.457877|7.095776|15.008121|0.051982|0.046274|0.045246|0.044758|0.045925|0.079686|0.078248|0.074264|0.068124|0.079040|0.102001|0.069027|0.073739|0.075851|0.090043|0.133095|0.100377|0.176692|0.207860|0.181379|0.142200|0.303968|0.500000| |1.966891|2.064511|1.900777|1.923505|2.129635|2.376311|2.324469|5.677829|2.648750|4.323245|4.407982|3.629921|4.994065|0.130337|5.108108|3.638356|4.983935|4.296002|6.763095|0.114000|0.170422|4.972799|6.123737|6.195179|9.673244|9.732338|6.666197|0.157898|4.571377|8.961817|17.625299|8.877213|7.177600|4.597402|6.630892|12.502647|16.614577|0.058805|0.052853|0.049976|0.048562|0.049497|0.097816|0.089850|0.095351|0.090966|0.112044|0.170223|0.098699|0.109410|0.108555|0.136438|0.256725|0.141475|0.177149|0.124313|0.112410|0.107785|0.174749|0.220590|0.500000| |2.142709|2.194716|1.986980|1.963340|2.136490|2.406797|2.440501|6.079519|2.599643|4.191929|4.240199|3.591216|4.569332|0.111481|4.478275|3.299138|4.990571|4.165565|5.872906|0.101580|0.146576|3.905728|4.535021|6.313713|12.065485|8.779718|7.091371|0.204813|4.569515|8.871453|17.565863|8.860031|6.399997|4.585449|4.863247|12.301255|16.124214|0.065531|0.057402|0.054280|0.051021|0.050167|0.103460|0.088232|0.083379|0.084024|0.118947|0.189193|0.094298|0.113675|0.090297|0.102715|0.158466|0.105542|0.142352|0.113367|0.117592|0.110090|0.204232|0.174386|0.305530|0.500000| |1.726760|1.739976|1.600280|1.579139|1.689162|1.858748|1.886996|4.635022|1.984900|3.300835|3.092076|2.488766|2.957780|0.076792|3.003990|2.420278|3.267454|3.095501|4.613839|0.086388|0.114601|3.067920|3.222535|3.575039|6.588173|5.226870|4.465203|0.123518|3.515268|6.396150|8.866286|17.521394|8.803923|7.347402|5.528681|11.692034|12.943056|0.052099|0.046839|0.044564|0.041797|0.040982|0.070799|0.063449|0.063220|0.063869|0.080882|0.109313|0.073316|0.087765|0.072838|0.086334|0.106943|0.079276|0.095299|0.091532|0.098831|0.083975|0.190706|0.151203|0.175576|0.223419|0.500000| |1.600013|1.639605|1.529048|1.532631|1.651053|1.796546|1.785275|4.311716|1.939427|3.241920|3.041234|2.431143|2.961505|0.079965|3.000214|2.426291|3.059691|2.912308|4.545484|0.085154|0.111182|3.223954|3.420111|3.478488|5.977141|5.415126|4.540667|0.114272|3.719148|7.101078|8.788620|17.532649|8.903180|6.592970|7.237092|10.122812|12.932691|0.047653|0.043295|0.041444|0.039873|0.040056|0.067077|0.062785|0.065060|0.063379|0.074536|0.098378|0.070287|0.079383|0.075718|0.094634|0.116943|0.086596|0.104030|0.102693|0.103086|0.086316|0.192027|0.202134|0.199303|0.174539|0.305172|0.500000| |1.446619|1.461040|1.355854|1.348289|1.444315|1.576261|1.582907|3.866789|1.703981|2.917132|2.594322|1.990106|2.309604|0.061648|2.466077|2.083427|2.632661|2.720705|4.308656|0.086567|0.104640|2.879939|2.769330|2.547745|4.533766|3.647007|2.851923|0.076554|2.454168|3.630223|4.473839|6.907389|8.810447|17.570982|6.806303|10.083717|11.261339|0.042789|0.039828|0.037546|0.035539|0.035260|0.055459|0.051130|0.055588|0.056581|0.065250|0.081830|0.066653|0.077474|0.069601|0.085983|0.087710|0.069930|0.070894|0.067407|0.068316|0.060623|0.101429|0.099584|0.115346|0.112262|0.189434|0.195192|0.500000| |1.509228|1.523131|1.401521|1.391463|1.500113|1.655507|1.665671|4.124265|1.812936|3.138640|2.749269|2.061415|2.376376|0.062638|2.647168|2.245373|2.913880|3.189747|5.217592|0.109392|0.128781|3.290620|2.981669|2.544993|4.556720|3.504957|2.621373|0.071217|2.230590|3.165366|4.047913|5.478378|8.801380|17.571250|7.035983|12.671107|11.648617|0.044497|0.041969|0.038903|0.036566|0.036194|0.057490|0.052226|0.059318|0.062251|0.071557|0.089305|0.077628|0.092933|0.079459|0.098469|0.091929|0.073782|0.068132|0.061075|0.060834|0.056225|0.085371|0.085349|0.110525|0.107227|0.145420|0.137999|0.300807|0.500000| |1.592820|1.589716|1.455698|1.431204|1.529993|1.690367|1.724331|4.285291|1.820623|3.104549|2.766991|2.127287|2.440530|0.063388|2.629702|2.201612|2.956837|3.078587|4.708594|0.094234|0.116804|2.960023|2.840652|2.726739|5.037545|3.760272|2.932242|0.081788|2.453935|3.617337|4.685085|6.832902|8.794298|17.536770|5.516569|12.674186|11.724514|0.047551|0.044048|0.041101|0.038109|0.037150|0.060454|0.053932|0.057446|0.060268|0.073797|0.094276|0.073799|0.091329|0.071643|0.084834|0.088963|0.069851|0.071101|0.065581|0.068077|0.061441|0.101758|0.093304|0.116895|0.129014|0.217654|0.158797|0.302245|0.300824|0.500000| |1.671192|1.751174|1.628680|1.660383|1.837983|2.027194|1.962417|4.768271|2.293612|3.903190|3.674661|2.798340|3.565956|0.098075|4.029833|3.167339|3.900561|3.942772|7.203234|0.131710|0.181332|5.567818|5.456795|3.754049|6.054499|5.525643|3.821365|0.094711|3.130889|4.785682|6.453437|6.897483|8.759889|5.505076|17.556801|12.730123|14.672529|0.049017|0.045647|0.042774|0.041850|0.043150|0.074159|0.070518|0.086417|0.083215|0.089008|0.118484|0.094513|0.100690|0.119062|0.185919|0.196761|0.134347|0.113074|0.089873|0.080521|0.076588|0.111976|0.140558|0.233813|0.143799|0.139002|0.184942|0.139965|0.141942|0.122884|0.500000| |1.563249|1.617578|1.498609|1.515669|1.665421|1.839419|1.801501|4.418219|2.073047|3.602187|3.219658|2.381112|2.866153|0.077434|3.320999|2.757198|3.424556|3.781911|7.079791|0.145546|0.176773|4.886429|4.177557|2.952156|4.993394|4.134286|2.922961|0.075931|2.470974|3.514881|4.563172|5.474123|8.833579|6.929384|17.552638|13.209796|13.208907|0.045669|0.043238|0.040088|0.038701|0.039423|0.064198|0.060019|0.074514|0.075611|0.080231|0.101666|0.092203|0.101329|0.110780|0.165477|0.131911|0.103352|0.083241|0.069734|0.065194|0.061937|0.088303|0.099455|0.142901|0.112897|0.123598|0.144251|0.166599|0.211083|0.142188|0.300007|0.500000| 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