Version2.4 2021-06-07T03:22:52Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 10-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H](c1ccc(cc1)CC(C)C)C(=O)NC(=S)Nc2ccc(cc2)S(=O)(=O)[N-]c3cc(ncn3)OC C66200704 RHF 6-31G(d) (6D,7F) C[C@@H](c1ccc(cc1)CC(C)C)C(=O)NC(=S)Nc2ccc(cc2)S(=O)(=O)[N-]c3cc(ncn3)OC C01[X(C25H28N5O4S2)] 186 C1 604 COc1ncnc(c1)[N-]S(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)[C@H](c1ccc(cc1)CC(C)C)C COc1ncnc(c1)[N-]S(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)[C@H](c1ccc(cc1)CC(C)C)C COc1cc([N-][S](=O)(=O)c2ccc(NC(=S)NC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)cc2)ncn1 InChIKey=DTVILJMGEMDNGT-KRWDZBQOSA-M InChI=1S/C25H29N5O4S2/c1-16(2)13-18-5-7-19(8-6-18)17(3)24(31)29-25(35)28-20-9-11-21(12-10-20)36(32,33)30-22-14-23(34-4)27-15-26-22/h5-12,14-17H,13H2,1-4H3,(H3,26,27,28,29,30,31,35)/p-1/t17-/m0/s1 InChI=1/C25H29N5O4S2/c1-16(2)13-18-5-7-19(8-6-18)17(3)24(31)29-25(35)28-20-9-11-21(12-10-20)36(32,33)30-22-14-23(34-4)27-15-26-22/h5-12,14-17H,13H2,1-4H3,(H3,26,27,28,29,30,31,35)/p-1/t17-/m0/s1/fC25H28N5O4S2/h28-29H/q-1 C[C@@H](c1ccc(cc1)CC(C)C)C(=O)NC(=S)Nc2ccc(cc2)S(=O)(=O)[N-]c3cc(ncn3)OC C01[X(C25H28N5O4S2)] 186 C01 604 COc1ncnc(c1)[N-]S(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)[C@H](c1ccc(cc1)CC(C)C)C CO[C]1[N][CH][N][C]([CH]1)[N][S]([O])([O])[C]1[CH][CH][C]([CH][CH]1)[NH][C](=S)NC(=O)[C@H]([C]1[CH][CH][C]([CH][CH]1)CC(C)C)C CO[C]1[CH][C]([N][CH][N]1)[N][S]([O])([O])[C]2[CH][CH][C]([CH][CH]2)NC(=S)NC(=O)[C@@H](C)[C]3[CH][CH][C]([CH][CH]3)CC(C)C InChIKey=CBKJHWWCSVBDPW-KRWDZBQOSA-N InChI=1S/C25H28N5O4S2/c1-16(2)13-18-5-7-19(8-6-18)17(3)24(31)29-25(35)28-20-9-11-21(12-10-20)36(32,33)30-22-14-23(34-4)27-15-26-22/h5-12,14-17H,13H2,1-4H3,(H2,28,29,31,35)/t17-/m0/s1 InChI=1/C25H28N5O4S2/c1-16(2)13-18-5-7-19(8-6-18)17(3)24(31)29-25(35)28-20-9-11-21(12-10-20)36(32,33)30-22-14-23(34-4)27-15-26-22/h5-12,14-17H,13H2,1-4H3,(H2,28,29,31,35)/t17-/m0/s1/f/h28-29H 3839.0815261859 -2329.7250876 1-A 43213.7728 139 465 604 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.04164 -91.81012 -20.49324 -20.48313 -20.38383 -20.38086 -15.56043 -15.55038 -15.41889 -15.40824 -15.38161 -11.31939 -11.31120 -11.21266 -11.20987 -11.20356 -11.19930 -11.19884 -11.19675 -11.19380 -11.19249 -11.19144 -11.18983 -11.18726 -11.18522 -11.17932 -11.17748 -11.17740 -11.17479 -11.17320 -11.15110 -11.14819 -11.14598 -11.14445 -11.14111 -11.07801 -9.01207 -8.82196 -6.69827 -6.69800 -6.69749 -6.50537 -6.50255 -6.50119 -1.36181 -1.32033 -1.30104 -1.26443 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1867.72 1872.47 1889.39 1893.51 1894.68 1902.39 1920.01 1961.11 1979.21 1979.89 1988.86 2068.34 2079.00 2081.30 2091.63 2107.66 2137.04 2142.92 2155.00 2162.35 2194.23 2234.70 2242.34 2252.45 2263.80 2281.28 2284.88 2346.93 2347.89 2354.33 2354.59 2355.59 2362.37 2366.21 2372.84 2379.97 2383.99 2384.92 2406.23 2434.70 2440.41 2465.63 2489.38 2543.32 2568.18 2604.57 2608.01 2622.82 2918.63 4582.15 4591.12 4595.75 4596.56 4607.90 4636.22 4644.43 4653.44 4671.55 4687.13 4689.15 4719.86 4731.63 4751.04 4751.70 4760.34 4804.56 4809.92 4828.79 4831.13 4834.86 4855.45 4877.92 4909.37 4925.55 4926.33 5522.26 5532.08 0.544780 0.578170 0.579114 0.469556 -2329.180307 -2329.146918 -2329.145974 -2329.255532 3.674593D-04 MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE C[C@@H](c1ccc(cc1)CC(C)C)C(=O)NC(=S)Nc2ccc(cc2)S(=O)(=O)[N-]c3cc(ncn3)OC C66200704 RHF 6-31G(d) (6D,10F) C1 526.158273 |X|Y|Z| 34.801051 62.454368 195.196526 75.140789 25 6 7 16 19 5 1 |36.858105| |12.443488|36.858105| 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|6.932086|7.966460|0.172404|5.544003|4.043564|3.277016|3.201151|3.825612|5.240977|2.575766|2.282372|2.327045|1.949081|16.066266|73.516695| |5.076292|7.846896|0.203080|6.399599|4.967470|3.926790|3.677896|4.183034|5.512617|2.903404|2.459003|2.378761|2.104996|13.742640|14.841718|53.358707| |3.792829|5.034941|0.132538|4.551277|3.792519|3.250901|3.172599|3.594604|4.369278|2.626881|2.222955|2.148423|1.949766|7.563334|11.396734|18.565106|36.858105| |3.360295|4.054817|0.102031|3.779689|3.127687|2.798567|2.865198|3.354269|3.969173|2.440755|2.086912|2.062109|1.850429|5.828226|10.652828|9.597537|11.555315|388.023441| |3.192294|4.133029|0.116561|3.859083|3.475749|3.045797|2.910400|3.136020|3.608847|2.473248|2.099432|1.991077|1.870676|5.338673|8.116587|11.597042|14.179958|50.801535|53.358707| |2.582276|3.161388|0.088767|3.042565|2.824059|2.581805|2.514604|2.672710|2.942579|2.218686|1.898764|1.797211|1.728265|3.859817|6.250502|7.137980|7.616500|42.185381|18.135064|36.858105| |2.350299|2.834396|0.078005|2.851207|2.673752|2.531642|2.532995|2.689907|2.860844|2.284566|1.934334|1.821207|1.780572|3.357832|5.500200|5.902514|5.912041|38.350330|10.596650|13.797716|36.858105| |2.008638|2.351425|0.065085|2.366027|2.256934|2.172059|2.179825|2.282541|2.380712|2.017690|1.736478|1.636560|1.626265|2.707037|4.532847|4.503331|4.183456|28.870559|6.990974|7.963015|13.728493|36.858105| |1.878933|2.169492|0.060878|2.137910|2.051440|1.956882|1.936623|2.012463|2.114953|1.794922|1.571087|1.486717|1.475901|2.480797|4.195647|4.057258|3.669717|24.969748|6.187706|6.889683|7.933499|13.786352|36.858105| |1.992365|2.307311|0.065635|2.216036|2.117754|1.980245|1.928727|2.005688|2.148069|1.762612|1.552036|1.473811|1.445788|2.665569|4.504503|4.401961|3.990179|25.954045|7.030443|7.948057|6.866980|7.944036|13.732272|36.858105| |2.322759|2.755277|0.078854|2.596131|2.446773|2.237947|2.157897|2.263186|2.478626|1.930016|1.686691|1.602981|1.549430|3.277541|5.449547|5.673209|5.399188|32.236187|10.714535|13.724901|7.931621|6.885503|7.950486|13.797706|36.858105| |1.597292|1.803941|0.050615|1.789767|1.737753|1.681668|1.671649|1.720187|1.779815|1.580273|1.402839|1.329405|1.337064|2.012447|3.442018|3.171015|2.732465|19.082096|4.340302|4.184991|4.703741|6.913667|10.648786|6.914997|4.712877|388.023441| |1.540317|1.736889|0.049350|1.719668|1.692463|1.636865|1.607055|1.632396|1.686973|1.522294|1.359936|1.282000|1.299558|1.907498|3.237510|2.996006|2.513527|16.991175|4.036843|3.750581|3.968603|5.200984|7.405228|6.197569|4.365226|93.620576|73.516695| |1.542359|1.738635|0.048368|1.755078|1.709721|1.679446|1.690431|1.736623|1.769676|1.618790|1.432065|1.353402|1.375995|1.923640|3.286970|3.008802|2.571506|18.280811|3.983266|3.717826|4.480166|6.637945|7.386714|4.933158|3.832747|93.666773|13.787890|73.516695| |1.546729|1.723379|0.048110|1.686225|1.618168|1.554898|1.550047|1.611595|1.681932|1.460265|1.307358|1.253157|1.243194|1.940158|3.381656|3.004739|2.595269|18.738355|3.996923|3.744636|3.991538|5.275636|7.429591|6.103257|4.329481|85.403383|13.301755|13.229251|53.358707| |1.398943|1.539625|0.042949|1.508854|1.453604|1.403970|1.402320|1.453302|1.508232|1.331751|1.202933|1.156661|1.151038|1.713485|3.004658|2.606565|2.202873|16.011752|3.317183|2.966752|3.134126|3.912273|4.922425|4.331392|3.345474|53.073773|10.570521|10.550640|19.415224|36.858105| |1.353767|1.474189|0.040997|1.433403|1.372636|1.320843|1.321013|1.376285|1.434905|1.252373|1.138294|1.102698|1.087684|1.644404|2.918636|2.466926|2.073359|15.316779|3.058437|2.664254|2.747913|3.256911|3.912384|3.676527|2.993807|35.261445|7.532473|7.502312|10.995031|13.509286|36.858105| |1.234151|1.332922|0.037070|1.300059|1.250555|1.209034|1.210418|1.256232|1.302783|1.155067|1.056981|1.025587|1.015251|1.471032|2.614817|2.182512|1.804772|13.306540|2.634301|2.239576|2.309608|2.678817|3.100306|2.933679|2.472007|27.509786|6.241888|6.228294|7.230887|8.030497|13.905502|36.858105| |1.168553|1.262220|0.035169|1.239796|1.201163|1.168379|1.169764|1.206345|1.242322|1.123642|1.030167|0.996148|0.994872|1.380129|2.438841|2.046884|1.677916|12.252052|2.455849|2.077022|2.163445|2.519365|2.881310|2.683123|2.268126|26.416241|6.210305|6.211672|6.337360|6.910924|8.007314|14.367354|53.358707| |1.203876|1.309833|0.036574|1.293845|1.259307|1.228767|1.229145|1.262300|1.295232|1.182908|1.079827|1.038207|1.044407|1.429629|2.506322|2.138965|1.758103|12.711074|2.603979|2.230526|2.355983|2.811615|3.255309|2.942257|2.434745|32.205200|7.642622|7.666973|7.383202|8.407427|7.243962|8.570311|19.584729|36.858105| |1.304196|1.432057|0.040030|1.415645|1.376624|1.340614|1.339393|1.376617|1.415389|1.283654|1.163330|1.114332|1.121224|1.572609|2.742587|2.381676|1.981043|14.247397|2.977507|2.614689|2.794089|3.461473|4.167795|3.626754|2.883465|46.635982|10.498279|10.553155|10.988932|14.085841|8.007837|7.086583|10.946468|14.633173|53.358707| |1.190268|1.274699|0.035380|1.237524|1.186557|1.144889|1.147031|1.193842|1.241134|1.093826|1.005986|0.981336|0.965610|1.405827|2.518529|2.063564|1.694969|12.594393|2.441022|2.037553|2.075712|2.342545|2.651846|2.571665|2.234561|22.101522|5.084599|5.070334|5.538053|5.295336|8.194716|14.184218|11.322425|5.505223|6.432089|73.516695| |1.094435|1.165520|0.032359|1.135182|1.092910|1.058715|1.061302|1.100673|1.139100|1.017399|0.940698|0.918492|0.906807|1.274113|2.281622|1.857124|1.507890|11.160343|2.159933|1.777749|1.813378|2.024121|2.249912|2.181491|1.927127|18.607296|4.388462|4.381584|4.377486|4.028428|5.284140|8.082101|9.838594|4.812558|5.340496|24.158204|36.858105| |17.563844|8.844340|0.214406|6.909475|5.735327|4.299771|3.802237|4.109949|5.303795|2.972469|2.833900|2.954661|2.310039|5.508698|8.864012|5.686498|3.230931|20.376279|3.846711|2.333389|2.146937|1.857700|1.743927|1.840426|2.118686|10.663354|2.589625|2.583462|1.968096|1.314861|1.270520|1.164329|1.507964|1.142604|1.679638|1.996222|1.037175|0.500000| |17.588007|8.788818|0.214078|5.480969|4.348420|3.375572|3.096756|3.448191|4.505111|2.495742|2.332313|2.411881|1.965471|6.937648|12.477770|6.492031|3.669480|23.262209|4.246345|2.540152|2.277207|1.960709|1.859301|1.995557|2.331101|11.259832|2.721383|2.694732|2.105463|1.401393|1.363947|1.243406|1.596789|1.203804|1.771700|2.140045|1.106044|0.300076|0.500000| |17.603609|8.790374|0.173784|6.775359|4.833573|3.857644|3.741044|4.476213|6.259875|2.932040|2.725821|2.919072|2.239622|6.835338|12.495604|6.312796|3.641631|24.294794|4.095795|2.477307|2.294614|1.968467|1.828990|1.918528|2.215502|11.107684|2.656220|2.700041|2.068687|1.378432|1.338389|1.222021|1.573500|1.188214|1.748285|2.100395|1.087300|0.300753|0.302361|0.500000| |5.249617|6.977563|0.225349|8.908100|17.686834|8.944101|5.630535|4.975319|5.662476|4.092807|3.611626|3.284180|2.883171|4.793593|6.712858|6.372447|3.579048|20.601472|4.616372|2.760699|2.564968|2.184952|2.018398|2.110514|2.442763|12.196796|3.003921|2.973044|2.173242|1.436234|1.356351|1.237092|1.618692|1.246821|1.853661|2.087162|1.082311|0.158344|0.121291|0.122113|0.500000| |3.467363|4.085921|0.114343|5.633704|8.946998|17.692012|8.909190|5.668249|4.969058|6.999517|5.897008|4.511935|4.383035|3.322654|5.001973|4.580539|2.862543|17.573151|3.764683|2.395631|2.356562|2.055909|1.868588|1.888263|2.109856|11.552419|2.838986|2.888057|2.034672|1.355701|1.272444|1.169338|1.545397|1.196614|1.773438|1.966307|1.026187|0.103128|0.082317|0.090244|0.217155|0.500000| |3.636708|4.085768|0.096740|5.639462|4.976940|5.671004|8.912443|17.706206|8.961396|6.958004|5.140334|5.398029|3.924671|3.833945|6.209278|4.986203|3.311385|23.156746|3.933098|2.529681|2.598137|2.232131|1.957789|1.928340|2.148193|12.005890|2.826040|3.058998|2.162157|1.438224|1.365140|1.249004|1.633340|1.253758|1.856402|2.113236|1.097540|0.097164|0.084774|0.109943|0.107891|0.124276|0.500000| |5.881988|6.955082|0.141062|8.896615|5.662303|4.969886|5.627754|8.949248|17.701667|4.084112|3.413716|3.580826|2.740063|6.893114|11.054206|7.624419|4.603172|31.922836|4.939537|2.973221|2.887958|2.401737|2.133285|2.167760|2.503662|12.740183|2.989752|3.162268|2.331772|1.536138|1.470944|1.333113|1.721248|1.312378|1.949836|2.266267|1.167423|0.138585|0.129305|0.191698|0.124135|0.107780|0.217481|0.500000| |2.712329|3.020895|0.077308|3.962772|4.195946|5.618512|8.914780|7.249115|4.759127|17.527307|8.840614|6.872772|6.858012|2.786563|4.488268|3.817491|2.601939|17.682530|3.310305|2.210406|2.314135|2.052301|1.809859|1.759033|1.913724|11.365429|2.712744|2.936237|2.014141|1.350943|1.271100|1.172672|1.552547|1.200375|1.772256|1.974308|1.032908|0.075811|0.065514|0.077734|0.096586|0.141573|0.220852|0.113403|0.500000| |2.656580|3.029164|0.080680|3.976476|4.692092|6.988636|8.947648|5.787720|4.270052|17.526521|8.860740|5.486418|7.162438|2.727607|4.289768|3.832650|2.577940|16.785587|3.388023|2.256970|2.339978|2.078505|1.847069|1.805503|1.966458|11.598243|2.810151|2.980608|2.030377|1.359231|1.270264|1.171650|1.557476|1.210512|1.791954|1.964235|1.028037|0.075531|0.064584|0.073334|0.111058|0.203523|0.147710|0.098647|0.304270|0.500000| |2.776124|2.952893|0.078816|3.774820|4.534062|6.391570|6.896232|4.868879|3.881605|8.892946|17.502259|8.926664|8.925074|2.523386|4.042391|3.352439|2.195467|14.411152|2.842612|1.877048|1.888767|1.695026|1.546245|1.540024|1.679063|9.812686|2.395221|2.487068|1.749805|1.182960|1.119620|1.039946|1.379755|1.062401|1.557429|1.760226|0.926208|0.083207|0.066932|0.076729|0.111337|0.197349|0.122441|0.090598|0.174289|0.212116|0.500000| |2.614277|2.680994|0.068046|3.321725|3.397035|4.122281|5.417327|5.149419|3.908267|6.761240|8.776629|17.516212|6.836218|2.422546|4.051580|3.145539|2.123574|14.785195|2.667177|1.784407|1.827106|1.647537|1.489190|1.465992|1.587014|9.495033|2.275058|2.430913|1.716590|1.165541|1.112160|1.035033|1.368268|1.047023|1.528427|1.761445|0.927626|0.075177|0.063330|0.077130|0.081210|0.106383|0.159505|0.098715|0.203609|0.140364|0.173645|0.500000| |2.553746|2.557667|0.066346|3.100469|3.307052|3.980116|4.639769|4.125868|3.390106|5.451283|8.785945|17.538668|6.932035|2.247168|3.747566|2.897302|1.930853|13.204059|2.453251|1.637826|1.653432|1.499222|1.373608|1.364839|1.476897|8.803516|2.131118|2.237155|1.593619|1.085928|1.038074|0.969314|1.283529|0.980915|1.427501|1.652850|0.873025|0.075993|0.062198|0.073827|0.081778|0.108341|0.115464|0.084671|0.140383|0.123169|0.213647|0.301614|0.500000| |3.277980|3.297309|0.082788|4.234055|4.396218|5.341824|6.767479|6.260752|4.869142|6.781496|8.744411|17.575800|5.484438|2.820185|4.647980|3.558102|2.316559|15.752109|2.879890|1.882728|1.887338|1.680415|1.528418|1.526283|1.674896|9.642900|2.321761|2.438342|1.746497|1.180865|1.128443|1.046655|1.378418|1.053402|1.540878|1.783051|0.936500|0.097483|0.076976|0.096462|0.102613|0.132378|0.169175|0.117056|0.169378|0.138710|0.212951|0.301444|0.301737|0.500000| |2.113704|2.276891|0.061381|2.772597|3.157224|4.093532|4.593274|3.608555|2.917745|6.903850|8.750172|5.485320|17.540329|2.063520|3.353822|2.836859|1.939453|12.953698|2.568795|1.753467|1.811989|1.661503|1.508546|1.474315|1.574686|9.743178|2.379532|2.511451|1.721803|1.170672|1.101283|1.028022|1.375279|1.064588|1.557886|1.732779|0.915547|0.061203|0.052569|0.058757|0.080054|0.125597|0.098522|0.071486|0.168791|0.216164|0.213397|0.139479|0.141396|0.122448|0.500000| |2.083938|2.170340|0.057958|2.601108|2.884565|3.585532|4.030587|3.354363|2.760147|5.482653|8.766332|6.924830|17.540452|1.952830|3.223338|2.618966|1.781658|12.066172|2.328454|1.584527|1.622432|1.491073|1.364827|1.342131|1.434168|8.846727|2.156403|2.269352|1.582341|1.081167|1.025389|0.960478|1.281987|0.986115|1.435260|1.628820|0.862888|0.061042|0.051841|0.058667|0.073367|0.105856|0.093289|0.068759|0.140208|0.144162|0.212999|0.170013|0.208916|0.141215|0.301516|0.500000| |2.105637|2.234927|0.058896|2.715735|2.935502|3.682683|4.494074|3.814811|3.001382|6.840929|8.768812|6.818339|17.522862|2.056851|3.396250|2.790836|1.925721|13.201752|2.506511|1.715481|1.785787|1.637741|1.478819|1.438196|1.533962|9.558055|2.308710|2.475562|1.703133|1.160138|1.096666|1.024440|1.367006|1.054129|1.539181|1.732265|0.915473|0.060302|0.052248|0.059923|0.072819|0.104164|0.111489|0.075196|0.203379|0.176394|0.173584|0.201860|0.169488|0.139324|0.301521|0.301631|0.500000| |4.835943|7.790298|0.224784|7.058632|5.915634|4.530145|4.046143|4.388793|5.602114|3.143909|2.627918|2.482914|2.237512|9.432672|10.879450|26.013631|9.425487|38.781624|10.995629|5.092808|4.283075|3.284462|2.953405|3.184966|4.061405|16.501808|3.954134|3.930263|2.937475|1.875013|1.758463|1.561592|2.008893|1.551993|2.355047|2.612525|1.327521|0.116224|0.123047|0.119268|0.157875|0.107891|0.103530|0.145001|0.082666|0.086090|0.073919|0.066224|0.061524|0.075450|0.062146|0.056492|0.059952|0.500000| |3.279297|4.306835|0.128307|3.946434|3.667434|3.148797|2.909295|3.053428|3.516102|2.460712|2.104877|1.981004|1.871303|5.263360|7.736384|11.239400|9.555568|38.404109|26.020333|9.279844|6.035310|4.410472|4.103759|4.795585|7.130511|21.236990|5.117700|4.835421|3.719107|2.296894|2.118481|1.841233|2.351191|1.832857|2.837437|3.038372|1.521618|0.081597|0.089560|0.083569|0.102809|0.080383|0.076789|0.095598|0.066097|0.069312|0.058922|0.053569|0.050032|0.058545|0.052711|0.047682|0.050676|0.248237|0.500000| |2.463529|2.999665|0.080964|3.116081|2.900829|2.786138|2.847795|3.061173|3.213626|2.562119|2.126526|1.995451|1.948355|3.539834|5.740033|6.211428|6.119748|41.024137|9.701831|8.941654|17.742568|8.892157|5.642920|4.950879|5.646654|27.667997|5.945985|6.989865|4.583375|2.750893|2.449418|2.100167|2.699372|2.147709|3.404796|3.389343|1.684916|0.062461|0.065208|0.067470|0.075600|0.071184|0.082756|0.090014|0.072914|0.072766|0.057099|0.055938|0.049835|0.057375|0.054958|0.048866|0.054585|0.125902|0.154075|0.500000| |1.875739|2.172305|0.059687|2.222675|2.133462|2.090600|2.127522|2.220440|2.271235|2.004112|1.724509|1.622866|1.631780|2.460310|4.142613|3.992014|3.587392|25.611828|5.655269|5.653382|8.885040|17.767209|8.984952|5.664332|4.962546|47.264314|8.683963|13.966969|6.787833|3.864879|3.186718|2.665722|3.468834|2.876421|4.811858|4.122003|2.020439|0.048508|0.050570|0.051462|0.056977|0.055196|0.061095|0.063583|0.057202|0.057540|0.046440|0.045679|0.041308|0.045936|0.046388|0.041496|0.045980|0.081240|0.101247|0.213326|0.500000| |1.853433|2.112750|0.060470|2.014412|1.936393|1.811218|1.756765|1.817210|1.942979|1.614341|1.437661|1.369239|1.344910|2.407471|4.107708|3.871372|3.379028|22.226279|5.696411|5.647386|4.952007|5.658574|8.937658|17.756964|8.918519|47.149365|11.785950|8.040703|8.745815|4.674207|3.995443|3.164652|3.910583|3.136817|5.256901|4.908354|2.324911|0.047830|0.051991|0.049486|0.054047|0.048297|0.048563|0.054439|0.044629|0.045904|0.039771|0.037768|0.035434|0.039350|0.038099|0.034876|0.037101|0.077889|0.112296|0.107542|0.124749|0.500000| |2.410640|2.842741|0.082741|2.601628|2.448001|2.202643|2.096131|2.194696|2.435863|1.861705|1.643136|1.568709|1.503000|3.383840|5.649409|5.771713|5.225254|30.294086|9.882207|8.914520|5.647081|4.957329|5.645624|8.915832|17.701600|27.697348|6.713051|5.701221|5.087150|3.012666|2.776325|2.327729|2.900206|2.254801|3.560229|3.801472|1.855332|0.060940|0.068288|0.063137|0.068894|0.057758|0.057428|0.068348|0.050881|0.052456|0.045760|0.042904|0.040315|0.045765|0.042335|0.038839|0.041117|0.113972|0.203304|0.124292|0.107666|0.214292|0.500000| |1.416534|1.540024|0.042728|1.485530|1.411866|1.350253|1.350346|1.415835|1.487085|1.272283|1.155873|1.124269|1.099073|1.734067|3.101448|2.596161|2.198400|16.439585|3.219271|2.798804|2.837081|3.290733|3.932140|3.827613|3.169512|32.292521|6.842473|6.805760|9.935492|8.793432|17.788811|8.910831|7.750728|5.147755|7.727664|13.134657|4.791623|0.036748|0.039809|0.038949|0.038724|0.035970|0.038992|0.042591|0.035864|0.035688|0.031584|0.031496|0.029373|0.032080|0.030813|0.028783|0.030765|0.050933|0.061548|0.069987|0.087608|0.115407|0.082373|0.500000| |1.146725|1.245643|0.034820|1.236497|1.210135|1.186593|1.187028|1.212869|1.237815|1.148852|1.051619|1.008932|1.021930|1.348991|2.357743|2.012562|1.639519|11.784677|2.424165|2.054837|2.177425|2.574451|2.918340|2.638066|2.217951|28.289145|6.995483|7.032072|5.928178|5.897691|5.137624|5.969644|12.748034|17.668806|12.838898|7.843672|4.184270|0.030356|0.031782|0.031430|0.033308|0.032228|0.033481|0.034710|0.032375|0.032747|0.028749|0.028260|0.026529|0.028349|0.029000|0.026835|0.028659|0.040776|0.047667|0.055717|0.073920|0.077416|0.057263|0.110732|0.500000| |1.067021|1.136685|0.031683|1.107159|1.070628|1.037385|1.036195|1.069951|1.106380|0.994247|0.920798|0.896987|0.888698|1.236710|2.206177|1.804201|1.457350|10.669084|2.098821|1.724074|1.750388|1.952190|2.184235|2.132329|1.879561|18.206408|4.411369|4.254482|4.197343|3.857393|4.802642|7.106305|9.870045|4.903115|5.304689|16.431104|17.604368|0.028164|0.029967|0.029355|0.029547|0.028017|0.029557|0.031380|0.027964|0.027970|0.025241|0.025110|0.023714|0.025386|0.024973|0.023513|0.024874|0.035980|0.041343|0.045101|0.053967|0.063734|0.050494|0.118638|0.122054|0.500000| 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