Version2.0 2020-03-03T08:06:52Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 13-Jan-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@@H]1C(=O)N([C@@H](S1)c2ccc(cc2)C(C)(C)C)CCCN(C)S(=O)(=O)c3cccc4c3nccc4 C50208552 RHF 6-31G(d) (6D,7F) CC[C@@H]1C(=O)N([C@@H](S1)c2ccc(cc2)C(C)(C)C)CCCN(C)S(=O)(=O)c3cccc4c3nccc4 C01[X(C28H35N3O3S2)] 207 C1 618 CC[C@H]1S[C@H](N(C1=O)CCCN(S(=O)(=O)c1cccc2c1nccc2)C)c1ccc(cc1)C(C)(C)C CC[C@H]1S[C@H](N(C1=O)CCCN(S(=O)(=O)c1cccc2c1nccc2)C)c1ccc(cc1)C(C)(C)C CC[C@H]1S[C@H](N(CCCN(C)[S](=O)(=O)c2cccc3cccnc23)C1=O)c4ccc(cc4)C(C)(C)C InChIKey=LAKCZIPVBDSKKT-KCWPFWIISA-N InChI=1S/C28H35N3O3S2/c1-6-23-26(32)31(27(35-23)21-13-15-22(16-14-21)28(2,3)4)19-9-18-30(5)36(33,34)24-12-7-10-20-11-8-17-29-25(20)24/h7-8,10-17,23,27H,6,9,18-19H2,1-5H3/t23-,27+/m1/s1 InChI=1/C28H35N3O3S2/c1-6-23-26(32)31(27(35-23)21-13-15-22(16-14-21)28(2,3)4)19-9-18-30(5)36(33,34)24-12-7-10-20-11-8-17-29-25(20)24/h7-8,10-17,23,27H,6,9,18-19H2,1-5H3/t23-,27+/m1/s1 CC[C@@H]1C(=O)N([C@@H](S1)c2ccc(cc2)C(C)(C)C)CCCN(C)S(=O)(=O)c3cccc4c3nccc4 C01[X(C28H35N3O3S2)] 207 C01 618 CC[C@H]1S[C@H](N(C1=O)CCCN(S(=O)(=O)c1cccc2c1nccc2)C)c1ccc(cc1)C(C)(C)C CC[C@H]1S[C@H](N(C1=O)CCCN([S@@](=O)(C1=CC=C[C@H]2[C@@H]1NCC=C2)O)C)c1ccc(cc1)C(C)(C)C CC[C@H]1S[C@H](N(CCCN(C)[S](O)(=O)C2=CC=C[C@@H]3C=CCN[C@H]23)C1=O)c4ccc(cc4)C(C)(C)C InChIKey=RJLAOVMGBUIYMC-BQLGRQSHSA-N InChI=1S/C28H40N3O3S2/c1-6-23-26(32)31(27(35-23)21-13-15-22(16-14-21)28(2,3)4)19-9-18-30(5)36(33,34)24-12-7-10-20-11-8-17-29-25(20)24/h7-8,10-16,20,23,25,27,29H,6,9,17-19H2,1-5H3,(H,33,34)/t20-,23-,25+,27+/m1/s1 InChI=1/C28H40N3O3S2/c1-6-23-26(32)31(27(35-23)21-13-15-22(16-14-21)28(2,3)4)19-9-18-30(5)36(33,34)24-12-7-10-20-11-8-17-29-25(20)24/h7-8,10-16,20,23,25,27,29H,6,9,17-19H2,1-5H3,(H,33,34)/t20-,23-,25+,27+/m1/s1/f/h33H 4225.8239730323 -2263.6032709 1-A 28251.3857 140 478 618 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.19732 -91.93937 -20.53544 -20.53493 -20.52532 -15.59439 -15.58674 -15.57782 -11.34858 -11.30963 -11.29764 -11.29228 -11.27355 -11.26999 -11.26891 -11.26676 -11.26451 -11.26349 -11.26338 -11.25917 -11.25411 -11.25267 -11.25245 -11.24921 -11.24437 -11.24390 -11.23960 -11.23572 -11.23309 -11.23225 -11.22647 -11.22084 -11.21715 -11.21681 -11.21573 -11.21367 -9.16739 -8.95014 -6.85402 -6.85361 -6.85243 -6.63275 -6.63172 -6.62939 -1.46364 -1.39593 -1.33614 -1.28839 -1.27029 -1.24580 -1.17029 -1.16923 -1.11527 -1.11266 -1.10500 -1.06151 -1.04510 -1.04156 -1.03867 -1.02148 -1.00313 -0.96327 -0.95389 -0.94063 -0.93927 -0.93910 -0.89589 -0.88158 -0.87340 -0.86778 -0.84555 -0.83318 -0.82753 -0.79462 -0.78283 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0.89700 0.90297 0.90705 0.91458 0.91858 0.92435 0.92967 0.93549 0.93799 0.94205 0.95952 0.96696 0.96906 0.97468 0.98057 0.99045 1.00214 1.00996 1.01353 1.01883 1.03311 1.03679 1.04317 1.05668 1.05874 1.06567 1.06805 1.06829 1.07574 1.07887 1.08437 1.09079 1.09455 1.10070 1.10374 1.10499 1.10689 1.11202 1.11446 1.12158 1.12443 1.12745 1.13135 1.13272 1.13517 1.13722 1.14293 1.15618 1.16303 1.16869 1.16963 1.17172 1.17186 1.17430 1.17764 1.18168 1.18377 1.18611 1.19247 1.19672 1.19802 1.20309 1.20514 1.20913 1.21540 1.21554 1.22006 1.22393 1.22639 1.23068 1.23506 1.24470 1.24812 1.25301 1.25726 1.26181 1.26391 1.26602 1.27068 1.27603 1.28047 1.28419 1.29297 1.29672 1.29944 1.30814 1.31263 1.32849 1.33228 1.33996 1.35779 1.36359 1.36991 1.37117 1.38096 1.38368 1.39213 1.40409 1.40814 1.42405 1.42687 1.43941 1.44429 1.45342 1.45747 1.46278 1.46956 1.46990 1.47641 1.48691 1.50882 1.51668 1.52805 1.53854 1.54635 1.55617 1.57489 1.58522 1.59921 1.61166 1.62036 1.63660 1.64512 1.65351 1.65832 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0.669649 0.670594 0.565249 -2262.967010 -2262.933621 -2262.932677 -2263.038022 3.533289D-04 MUNgauss RevisionA2.0 retrievium 03-Mar-2020 DUDE CC[C@@H]1C(=O)N([C@@H](S1)c2ccc(cc2)C(C)(C)C)CCCN(C)S(=O)(=O)c3cccc4c3nccc4 C50208552 RHF 6-31G(d) (6D,10F) C1 525.211986 |X|Y|Z| 139.467714 85.673540 38.211359 77.002405 26 6 7 16 21 3 2 |36.858105| |12.470200|36.858105| |7.459140|12.457295|36.858105| |6.890750|8.878775|17.550285|0.500000| |4.882440|7.525217|12.509050|0.251714|36.858105| |4.372186|6.543085|7.974894|0.191472|15.893157|73.516695| |3.905676|5.273416|7.925800|0.177966|14.041651|14.956785|53.358707| |3.890381|4.801751|7.219069|0.168852|7.913352|9.569971|17.859554|36.858105| |3.527731|4.139948|6.089382|0.161827|6.426467|8.412634|12.431116|17.589324|0.500000| |5.726603|6.778406|10.477188|0.219696|7.135767|8.855250|9.918565|10.402844|0.220380|388.023441| |3.199851|3.764374|4.824087|0.115425|5.231458|7.229865|10.421546|12.582078|0.249599|48.942242|36.858105| 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|1.603694|1.807149|1.959047|0.054993|2.276270|4.417070|3.141729|2.030518|0.057390|12.645346|1.903492|1.823591|1.693495|1.635666|1.695625|1.824934|1.498143|1.362823|1.439182|1.548086|2.687067|2.985946|3.655207|5.186918|3.130777|33.527251|8.056746|6.984363|7.886387|13.449255|36.858105| |1.474106|1.650172|1.782822|0.049676|2.053244|3.918835|2.876781|1.888142|0.053263|11.738829|1.805991|1.749894|1.648674|1.599704|1.644864|1.744063|1.482332|1.346140|1.427274|1.549372|2.462650|2.714517|3.357986|4.847298|3.077735|29.611232|6.648470|6.507726|6.822926|7.935478|14.057745|36.858105| |1.456455|1.628095|1.778607|0.049428|2.047911|3.835530|2.933717|1.949192|0.055361|11.929755|1.888922|1.856554|1.759350|1.696853|1.724264|1.814008|1.576958|1.426830|1.505850|1.671213|2.543470|2.864068|3.664031|5.557534|3.641835|33.037805|6.791649|7.454035|7.826782|6.841154|7.906309|13.419389|36.858105| |1.565158|1.757751|1.956463|0.054583|2.272647|4.211091|3.311105|2.201305|0.063352|13.187187|2.122017|2.099945|1.967719|1.869241|1.888338|2.002478|1.716814|1.549263|1.616328|1.824681|2.925963|3.458429|4.665596|7.758169|4.902085|48.131715|8.695212|10.449164|13.341310|7.871887|6.780985|7.787462|13.543504|36.858105| |1.523547|1.701144|1.905945|0.053008|2.193471|3.974606|3.263011|2.220239|0.064402|13.156734|2.182147|2.207860|2.091111|1.969208|1.954536|2.046944|1.819888|1.640335|1.694397|1.968190|2.879180|3.443211|4.624344|8.223100|6.025880|44.274988|7.690770|10.826211|7.931889|5.231609|4.580321|5.156117|7.899959|14.110473|53.358707| |1.396090|1.546781|1.712445|0.047385|1.945513|3.512998|2.884605|1.987501|0.057171|11.941649|1.987138|2.025240|1.957484|1.863185|1.836224|1.890143|1.754172|1.584451|1.644023|1.919493|2.500214|2.875223|3.672658|6.022240|4.712732|31.155267|5.945148|7.909740|5.321708|4.057916|3.867331|4.605300|7.007316|8.373933|20.045933|36.858105| |1.309946|1.447223|1.579362|0.043611|1.785975|3.259252|2.607347|1.786634|0.050832|10.928349|1.784621|1.799125|1.749074|1.689522|1.679718|1.722523|1.604959|1.453801|1.527145|1.744393|2.232081|2.486060|3.091123|4.761248|3.549552|25.393035|5.155676|6.296136|4.575957|3.821903|3.965489|5.136097|7.955106|6.964664|10.839699|13.474989|36.858105| |1.334832|1.480130|1.605728|0.044412|1.825478|3.381534|2.627834|1.774120|0.050224|10.932329|1.749050|1.736862|1.672971|1.623710|1.635904|1.694185|1.531913|1.388296|1.468671|1.641017|2.249916|2.485732|3.093849|4.645307|3.257710|25.918814|5.405733|6.183221|5.125141|4.535907|5.126978|7.662554|13.455091|7.891470|9.325981|8.018081|14.041996|36.858105| |17.549161|8.742579|6.679840|0.167477|4.447568|6.824372|5.172530|4.025670|0.100929|45.617372|3.390722|2.869278|2.492341|2.439949|2.747263|3.282720|2.080720|2.023434|2.007150|1.846085|2.954925|2.605775|2.178840|2.659038|1.825704|13.055715|3.597720|3.000939|1.660035|1.665141|1.522821|1.411064|1.405222|1.513510|2.023899|1.368260|1.280164|1.295769|0.500000| |17.538631|8.776049|6.792507|0.205536|4.548427|7.366110|4.979695|3.660494|0.096081|36.552843|2.970128|2.563943|2.214229|2.134467|2.359697|2.799388|1.837686|1.776740|1.764135|1.672623|2.908405|2.645671|2.217354|2.729568|1.841371|13.744774|3.880083|3.151030|1.742504|1.771287|1.612127|1.474810|1.454459|1.566607|2.071568|1.390213|1.302606|1.328840|0.301358|0.500000| |17.558439|8.819328|5.461706|0.141225|4.067209|6.827285|4.526894|3.254918|0.082349|31.481079|2.788233|2.382618|2.112583|2.099934|2.369144|2.772808|1.827578|1.759255|1.795751|1.647872|2.704812|2.385275|2.047906|2.496482|1.693108|12.478917|3.466370|2.851649|1.619215|1.652274|1.527128|1.407324|1.383436|1.473301|1.946044|1.317613|1.245248|1.272654|0.302187|0.301740|0.500000| |8.835829|17.549793|8.879279|0.174231|6.838741|10.707215|7.074169|4.715519|0.108684|45.575898|3.919615|3.084495|2.670039|2.700407|3.224958|4.052767|2.261393|2.099204|2.227364|2.014255|3.905189|3.141267|2.614449|3.044774|2.039861|14.720821|4.080627|3.279596|1.904195|1.927605|1.764248|1.624698|1.607080|1.726353|2.281753|1.534038|1.439937|1.470004|0.210396|0.172742|0.212050|0.500000| |8.843046|17.580054|8.999054|0.214971|7.128200|13.100525|6.550848|4.129209|0.102033|36.302238|3.292829|2.704184|2.329684|2.297583|2.637080|3.223581|1.955609|1.824872|1.906230|1.791578|3.776647|3.192941|2.669304|3.138516|2.053974|15.664654|4.485459|3.465099|2.024613|2.090819|1.902219|1.719955|1.677602|1.800999|2.343752|1.561099|1.468706|1.515364|0.172555|0.210250|0.213421|0.303183|0.500000| |2.626851|2.900596|3.647107|0.096487|3.778625|5.562416|6.689503|7.037854|0.230217|34.308407|8.913142|17.695438|8.951659|5.621447|4.979506|5.670852|4.080799|3.792203|3.210517|3.792821|4.568042|4.653816|3.677609|4.620851|3.580893|19.638607|4.912949|4.625997|2.293720|2.096503|1.843512|1.763359|1.877296|2.144620|3.086362|2.064752|1.817877|1.749831|0.077302|0.070904|0.064145|0.079986|0.072666|0.500000| |2.111544|2.285240|2.652495|0.069240|2.750826|4.272286|4.574843|4.115382|0.115629|23.630187|5.654679|9.001279|17.730049|8.885835|5.670784|4.981270|6.971006|6.535730|4.503565|6.533933|3.329099|3.261101|2.906349|3.720098|3.012547|16.010028|3.873386|3.840481|1.970558|1.799282|1.626513|1.593662|1.711947|1.916234|2.804890|1.944714|1.730818|1.640508|0.062396|0.056228|0.053331|0.065094|0.058027|0.218869|0.500000| |2.467752|2.792524|3.012255|0.072881|3.213576|5.073795|5.173315|4.099483|0.096837|25.718986|5.662371|4.985687|5.671517|8.875283|17.766519|9.026376|6.804458|4.891936|7.602628|4.888056|3.667767|3.019515|2.725860|3.199845|2.362057|14.148398|3.541475|3.231834|1.850333|1.758790|1.630305|1.587799|1.655309|1.790120|2.506711|1.745153|1.615295|1.579340|0.072502|0.062111|0.063967|0.086704|0.070275|0.108049|0.124011|0.500000| |3.433548|4.235474|4.802086|0.107098|5.345823|7.783043|9.104465|6.947898|0.140395|41.907522|8.926779|5.676380|4.980224|5.618691|8.945980|17.722256|4.047472|3.376960|3.920108|3.371055|5.554394|4.010059|3.321159|3.713566|2.604156|16.443163|4.276397|3.655540|2.106141|2.029406|1.845598|1.752254|1.800185|1.968593|2.697290|1.827642|1.682826|1.673430|0.099721|0.083992|0.085800|0.136657|0.102490|0.124371|0.108011|0.219129|0.500000| |1.998914|2.095259|2.264822|0.058020|2.252264|3.571970|3.484320|2.972600|0.077876|20.005907|3.796494|4.259638|5.651439|6.903341|5.349040|4.128995|8.743679|17.554215|6.918099|5.488493|2.435096|2.248591|2.051689|2.591892|2.000118|11.755155|2.906032|2.808104|1.513497|1.425264|1.323602|1.300280|1.367762|1.480630|2.114332|1.494036|1.377210|1.324851|0.060352|0.052008|0.051903|0.061664|0.052779|0.102092|0.154271|0.140629|0.098000|0.500000| |1.710661|1.799950|1.940363|0.050331|1.968084|3.182185|3.034526|2.504727|0.066897|16.431669|3.105249|3.527474|4.677635|5.496902|4.216556|3.317586|8.771038|17.538553|7.068867|6.910358|2.197219|2.072961|1.949685|2.501332|1.965812|11.340616|2.759049|2.733602|1.475141|1.380017|1.289908|1.281115|1.358424|1.464898|2.113779|1.513808|1.397554|1.331541|0.050764|0.044965|0.044763|0.052583|0.046161|0.087551|0.138767|0.114249|0.080368|0.301089|0.500000| |1.872856|1.972739|2.182092|0.056870|2.200942|3.495365|3.460869|2.973995|0.080904|19.075278|3.792515|4.697525|6.796841|6.845150|4.701923|3.810411|8.694237|17.572377|5.513675|6.870867|2.478020|2.371584|2.180978|2.810641|2.230936|12.602738|3.069338|3.048032|1.603297|1.489053|1.374339|1.356242|1.443178|1.577490|2.287122|1.618843|1.474530|1.402368|0.055912|0.049528|0.048274|0.056963|0.050171|0.117081|0.227907|0.116044|0.088534|0.301938|0.302120|0.500000| |1.903914|2.098014|2.237468|0.056247|2.389479|3.919145|3.744640|2.895841|0.073191|18.225024|3.692261|3.706265|4.581424|6.723344|6.687735|4.587510|8.710572|5.510378|17.554689|6.943891|2.816713|2.486088|2.381251|2.897691|2.209029|12.872200|3.137907|2.993404|1.717096|1.616870|1.520926|1.511966|1.595596|1.707762|2.430397|1.734111|1.615623|1.556830|0.055294|0.049033|0.050138|0.063311|0.054311|0.086267|0.113603|0.231336|0.114835|0.140601|0.142967|0.122299|0.500000| |1.720082|1.847673|1.959163|0.050027|2.037744|3.345066|3.134715|2.476055|0.064189|16.081019|3.071580|3.230382|4.074287|5.464741|4.796798|3.557487|8.831471|7.054269|17.556727|7.056086|2.318624|2.117402|2.029089|2.541107|1.963074|11.471848|2.790589|2.716481|1.525714|1.436331|1.355536|1.352067|1.428318|1.524057|2.181002|1.569291|1.465327|1.404299|0.050371|0.044670|0.045473|0.055054|0.047799|0.077856|0.108818|0.148244|0.089061|0.171704|0.215893|0.143302|0.302390|0.500000| |2.007943|2.165503|2.283174|0.057226|2.347334|3.794331|3.615384|2.898109|0.072932|19.239687|3.692717|3.705841|4.581708|6.723456|6.689618|4.590971|8.711949|6.946177|17.557202|5.510933|2.588367|2.288814|2.131754|2.618507|1.981927|11.830272|2.925936|2.771639|1.561158|1.481882|1.390700|1.370949|1.434575|1.535366|2.171149|1.540674|1.437173|1.392470|0.059489|0.051355|0.052928|0.065675|0.055141|0.086256|0.113614|0.231586|0.115018|0.206550|0.174408|0.140603|0.300803|0.302406|0.500000| |1.751153|1.898311|2.123860|0.055469|2.252332|3.640522|3.630695|2.970234|0.081423|17.667915|3.791582|4.698804|6.796144|6.845110|4.700600|3.807194|8.694060|6.869505|5.513629|17.571420|2.787466|2.721658|2.617616|3.385864|2.796672|14.644137|3.456190|3.528760|1.875297|1.705457|1.571834|1.572413|1.707175|1.882445|2.793671|1.996020|1.792442|1.674324|0.050939|0.046534|0.045210|0.054702|0.049253|0.117124|0.227847|0.115988|0.088403|0.140162|0.170119|0.204429|0.140580|0.143308|0.122307|0.500000| |1.617544|1.743497|1.899476|0.049362|2.003814|3.288545|3.144989|2.502272|0.067181|15.517155|3.104396|3.527799|4.677278|5.496115|4.214750|3.314945|8.770444|6.911420|7.066956|17.539081|2.400636|2.290749|2.237493|2.874168|2.313905|12.734330|3.025181|3.058612|1.674979|1.543964|1.446108|1.455325|1.567634|1.694895|2.486886|1.802780|1.654117|1.553280|0.047001|0.042717|0.042317|0.050808|0.045449|0.087567|0.138768|0.114168|0.080258|0.140884|0.207446|0.170209|0.174278|0.215885|0.142965|0.302142|0.500000| |1.770933|1.952863|2.158780|0.055585|2.345811|3.842023|3.787739|2.964947|0.078617|17.512538|3.792751|4.258483|5.646575|6.898361|5.342813|4.119948|8.742448|5.488017|6.920046|17.550117|2.991303|2.811877|2.769349|3.466082|2.793591|14.883334|3.513034|3.508127|1.953568|1.785866|1.660039|1.668312|1.807720|1.974142|2.904382|2.084387|1.892533|1.777350|0.051027|0.046610|0.046041|0.057116|0.051022|0.102083|0.154144|0.140413|0.097663|0.122493|0.140881|0.140150|0.206552|0.171825|0.140618|0.301841|0.301132|0.500000| |2.789845|3.470093|4.284643|0.105144|5.912567|9.288443|12.510325|6.887971|0.163830|31.045260|7.031691|5.463810|4.491900|4.340296|5.063479|6.585930|3.339791|2.765558|3.058285|3.222835|17.588228|8.822808|6.804515|6.318633|4.150952|25.110856|6.420764|5.227641|3.113175|2.895936|2.522151|2.369779|2.484435|2.836731|3.886157|2.526036|2.253454|2.241176|0.076578|0.073020|0.069644|0.099947|0.091974|0.134043|0.104253|0.121889|0.178291|0.074819|0.067798|0.076216|0.092110|0.073252|0.081886|0.089032|0.076189|0.099016|0.500000| |3.015541|3.921964|4.790203|0.119085|7.703485|14.516672|12.712919|5.634839|0.139033|29.354413|4.795754|3.855002|3.240683|3.153392|3.631954|4.564030|2.578026|2.227647|2.441131|2.491047|17.647721|8.832098|7.013397|6.285732|3.738521|27.239789|7.538748|5.411731|3.462509|3.391783|2.911767|2.629420|2.656867|3.002549|3.899364|2.488248|2.261067|2.323497|0.079325|0.079641|0.075588|0.110038|0.110239|0.100927|0.078711|0.092834|0.136782|0.061209|0.055770|0.061431|0.072893|0.060009|0.066692|0.068822|0.061029|0.075129|0.302636|0.500000| |2.818637|3.407107|4.462053|0.127319|5.966509|10.060719|9.563201|5.559553|0.172628|28.306149|4.347478|3.912348|3.149581|2.824314|2.989356|3.613194|2.336882|2.099990|2.122858|2.308518|8.826444|17.590850|8.904390|9.280308|4.983625|40.526276|12.592033|7.760169|4.163782|3.874627|3.069804|2.716304|2.804961|3.370213|4.443529|2.711052|2.369185|2.402467|0.074868|0.078831|0.069156|0.088596|0.094736|0.114498|0.079939|0.074099|0.098834|0.057262|0.052601|0.059962|0.061275|0.053145|0.057560|0.066529|0.056794|0.067722|0.173375|0.208859|0.500000| |2.594376|3.055190|3.958265|0.108021|4.918967|7.663940|9.235926|6.481661|0.214027|29.039011|5.672863|5.500583|4.215555|3.569027|3.636203|4.361291|2.857083|2.522473|2.494703|2.862017|8.823856|17.542998|8.876158|9.679263|6.273143|34.874629|8.837207|7.311505|3.654987|3.222740|2.656505|2.466712|2.645768|3.197498|4.508583|2.807800|2.397306|2.346924|0.071444|0.071280|0.063778|0.082148|0.081452|0.166169|0.106203|0.086514|0.110778|0.067566|0.062184|0.073068|0.071675|0.061787|0.066450|0.084366|0.068598|0.084191|0.214144|0.173440|0.302302|0.500000| |2.134417|2.516575|2.970784|0.079033|3.760466|6.587703|6.308005|3.972554|0.111283|20.724843|3.946797|3.770633|3.370700|3.158249|3.274593|3.631699|2.688806|2.290729|2.457117|2.827127|7.046477|8.805850|17.543172|12.609622|7.405861|39.072664|8.628655|7.516517|4.832773|4.042493|3.362898|3.219973|3.588310|4.445513|6.269803|3.808445|3.202254|3.138603|0.058012|0.057808|0.054395|0.070054|0.069417|0.102869|0.086241|0.082603|0.096528|0.060373|0.058051|0.064429|0.073640|0.061621|0.064052|0.080686|0.068884|0.088118|0.207724|0.180114|0.173925|0.207633|0.500000| |2.242605|2.678289|3.147666|0.085644|4.112337|7.760486|6.319577|3.717383|0.104559|20.389814|3.390656|3.123836|2.743619|2.591062|2.747697|3.125997|2.229362|1.954980|2.081171|2.279672|6.815603|8.865931|17.597980|12.426896|5.678567|50.062898|12.569379|8.324484|6.376356|5.669068|4.332771|3.828392|4.020848|5.002854|6.191919|3.608044|3.144768|3.273778|0.059554|0.061470|0.057255|0.073020|0.076290|0.086770|0.070444|0.070635|0.086853|0.052511|0.049883|0.054880|0.061765|0.052630|0.055479|0.064591|0.056711|0.069218|0.164204|0.206926|0.217158|0.174249|0.304203|0.500000| |1.755848|1.980944|2.295591|0.062830|2.675137|4.621140|4.274888|2.999074|0.088373|16.591379|3.069452|3.235476|3.047462|2.764627|2.666584|2.786325|2.482491|2.179722|2.216844|2.753600|3.937132|4.991732|6.845726|12.386692|17.581758|39.981668|7.497056|9.262527|4.770321|3.637658|3.084194|3.130392|3.797800|5.004477|8.861271|5.363657|3.943433|3.507659|0.048338|0.048249|0.045052|0.054615|0.054301|0.092990|0.083630|0.067471|0.071985|0.056293|0.056200|0.062833|0.064876|0.057208|0.056905|0.082062|0.068465|0.084279|0.114302|0.100185|0.117571|0.146562|0.217694|0.148702|0.500000| |1.716730|1.908418|2.221790|0.062438|2.527542|4.367487|3.923897|2.802150|0.085553|15.914435|2.752699|2.923024|2.693348|2.395020|2.304191|2.440588|2.156249|1.959619|1.922491|2.338390|3.424762|4.535746|5.599228|12.460255|17.719742|50.000971|8.622923|14.530864|5.054405|3.762177|3.090436|3.070708|3.685756|5.009487|8.824283|5.052492|3.696413|3.331291|0.047156|0.047917|0.043920|0.051692|0.052510|0.087613|0.075132|0.058257|0.063460|0.051176|0.050646|0.057230|0.055203|0.049970|0.050100|0.070373|0.058930|0.069101|0.093883|0.087485|0.117044|0.136065|0.147446|0.128123|0.301050|0.500000| |1.945622|2.187590|2.618370|0.072596|3.013878|5.023444|4.952148|3.639362|0.113692|19.388929|3.649293|4.001551|3.566819|3.042900|2.889208|3.102230|2.637529|2.357172|2.284249|2.850231|4.413453|6.164773|6.870565|12.428072|17.562940|39.738852|8.058452|9.564309|4.065808|3.268612|2.715514|2.642964|3.025693|3.848592|6.112981|3.757116|2.972399|2.752433|0.053938|0.053861|0.049174|0.059503|0.059165|0.122547|0.098556|0.070925|0.078371|0.061205|0.059671|0.069433|0.065431|0.058329|0.059221|0.087182|0.069659|0.084375|0.123890|0.105291|0.144788|0.213971|0.187398|0.139571|0.299399|0.300965|0.500000| |1.888868|2.153948|2.396558|0.068631|2.834604|5.567413|3.863014|2.447060|0.070295|15.063982|2.208176|2.092553|1.888740|1.793053|1.868340|2.063368|1.607220|1.466176|1.524384|1.639297|3.310660|3.878515|4.629458|6.567741|3.611298|48.536473|14.584253|8.891284|9.053146|17.775338|8.818738|5.660172|4.939967|5.619422|5.758009|3.376578|3.159992|3.613789|0.049388|0.053343|0.049264|0.057246|0.063440|0.059545|0.050029|0.049171|0.058007|0.039763|0.038133|0.041329|0.044450|0.039496|0.041152|0.046559|0.042055|0.048478|0.082099|0.099781|0.118554|0.092601|0.107749|0.158195|0.092828|0.097588|0.088208|0.500000| |1.598310|1.796701|1.922326|0.054069|2.217928|4.358213|3.002960|1.935867|0.054394|12.263900|1.804420|1.716239|1.593478|1.546930|1.613340|1.739998|1.418673|1.295856|1.371302|1.454302|2.519125|2.732809|3.211958|4.427819|2.709475|27.903983|7.122805|5.939094|5.643319|8.839687|17.735286|8.999928|5.617751|4.905690|4.955084|3.184475|3.299815|4.142604|0.041917|0.044705|0.042530|0.048642|0.053022|0.048057|0.042412|0.043306|0.049279|0.035135|0.034110|0.036204|0.040205|0.035907|0.037015|0.040848|0.037842|0.043146|0.065358|0.076604|0.078952|0.067520|0.082275|0.105409|0.073906|0.074073|0.066858|0.213897|0.500000| |1.385759|1.542410|1.647189|0.045779|1.878486|3.586066|2.614602|1.726018|0.048416|10.867517|1.660538|1.608587|1.527169|1.492701|1.536124|1.617969|1.394384|1.270001|1.352610|1.455985|2.206254|2.379453|2.862373|4.055280|2.646896|23.975203|5.521982|5.422549|4.925349|5.628957|9.000619|17.708973|8.838681|5.583693|5.685309|3.984583|4.694246|7.026447|0.036863|0.038450|0.036973|0.042341|0.044700|0.044839|0.041062|0.041477|0.045302|0.034124|0.033726|0.035431|0.039814|0.035751|0.036149|0.040865|0.038226|0.043481|0.059426|0.065496|0.066003|0.060566|0.077462|0.089380|0.075383|0.073413|0.064341|0.124081|0.215695|0.500000| |1.361645|1.500663|1.664538|0.045997|1.874409|3.343454|2.802630|1.963556|0.056693|11.781363|1.989016|2.059733|2.013495|1.907345|1.853472|1.887694|1.811502|1.640156|1.685092|2.009810|2.407278|2.761686|3.436069|5.635631|4.778195|27.847909|5.399487|7.327674|4.310493|3.384449|3.192429|3.654612|5.019545|5.884497|12.847616|17.692595|8.829548|5.686794|0.037291|0.037631|0.035656|0.041415|0.041775|0.058518|0.056201|0.048793|0.050220|0.042670|0.043661|0.046771|0.049175|0.044880|0.043600|0.058563|0.052600|0.060517|0.068362|0.065496|0.071700|0.076750|0.100606|0.090853|0.155414|0.145611|0.107852|0.081176|0.075262|0.090502|0.500000| 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