Version2.0 2020-07-20T12:21:28Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 01-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@]12CC[C@H]([C@@]([C@H]1Cc3c(nc(s3)NC(=O)C(C)(C)C)[C@H]2CC(=O)Nc4cccc(c4)O)(C)CO)O C43553451 RHF 6-31G(d) (6D,7F) C[C@]12CC[C@H]([C@@]([C@H]1Cc3c(nc(s3)NC(=O)C(C)(C)C)[C@H]2CC(=O)Nc4cccc(c4)O)(C)CO)O C01[X(C27H37N3O5S1)] 213 C1 618 OC[C@]1(C)[C@H](O)CC[C@]2([C@@H]1Cc1sc(nc1[C@H]2CC(=O)Nc1cccc(c1)O)NC(=O)C(C)(C)C)C OC[C@]1(C)[C@H](O)CC[C@]2([C@@H]1Cc1sc(nc1[C@H]2CC(=O)Nc1cccc(c1)O)NC(=O)C(C)(C)C)C CC(C)(C)C(=O)Nc1sc2C[C@@H]3[C@](C)(CO)[C@H](O)CC[C@]3(C)[C@H](CC(=O)Nc4cccc(O)c4)c2n1 InChIKey=CNTYSGLMZORIFG-DIWUPSHVSA-N InChI=1S/C27H37N3O5S/c1-25(2,3)23(35)30-24-29-22-17(12-21(34)28-15-7-6-8-16(32)11-15)26(4)10-9-20(33)27(5,14-31)19(26)13-18(22)36-24/h6-8,11,17,19-20,31-33H,9-10,12-14H2,1-5H3,(H,28,34)(H,29,30,35)/t17-,19+,20-,26-,27+/m1/s1 InChI=1/C27H37N3O5S/c1-25(2,3)23(35)30-24-29-22-17(12-21(34)28-15-7-6-8-16(32)11-15)26(4)10-9-20(33)27(5,14-31)19(26)13-18(22)36-24/h6-8,11,17,19-20,31-33H,9-10,12-14H2,1-5H3,(H,28,34)(H,29,30,35)/t17-,19+,20-,26-,27+/m1/s1/f/h28,30H C[C@]12CC[C@H]([C@@]([C@H]1Cc3c(nc(s3)NC(=O)C(C)(C)C)[C@H]2CC(=O)Nc4cccc(c4)O)(C)CO)O C01[X(C27H37N3O5S1)] 213 C01 618 OC[C@]1(C)[C@H](O)CC[C@]2([C@@H]1Cc1sc(nc1[C@H]2CC(=O)Nc1cccc(c1)O)NC(=O)C(C)(C)C)C OC[C@]1(C)[C@H](O)CC[C@]2([C@@H]1CC1=C([C@H]2CC(=O)N[C]2[CH][CH][CH][C]([CH]2)O)N=[C](S1)NC(=O)C(C)(C)C)C CC(C)(C)C(=O)Nc1sc2C[C@@H]3[C@](C)(CO)[C@H](O)CC[C@]3(C)[C@H](CC(=O)N[C]4[CH][CH][CH][C](O)[CH]4)c2n1 InChIKey=CNTYSGLMZORIFG-DIWUPSHVSA-N InChI=1S/C27H37N3O5S/c1-25(2,3)23(35)30-24-29-22-17(12-21(34)28-15-7-6-8-16(32)11-15)26(4)10-9-20(33)27(5,14-31)19(26)13-18(22)36-24/h6-8,11,17,19-20,31-33H,9-10,12-14H2,1-5H3,(H,28,34)(H,29,30,35)/t17-,19+,20-,26-,27+/m1/s1 InChI=1/C27H37N3O5S/c1-25(2,3)23(35)30-24-29-22-17(12-21(34)28-15-7-6-8-16(32)11-15)26(4)10-9-20(33)27(5,14-31)19(26)13-18(22)36-24/h6-8,11,17,19-20,31-33H,9-10,12-14H2,1-5H3,(H,28,34)(H,29,30,35)/t17-,19+,20-,26-,27+/m1/s1/f/h28,30H 4322.6064912773 -1979.1712582 1-A 22832.5721 138 480 618 |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| -91.97143 -20.58889 -20.55974 -20.55522 -20.54713 -20.52756 -15.61571 -15.59738 -15.55512 -11.36382 -11.35250 -11.34819 -11.29987 -11.28981 -11.27460 -11.26503 -11.26086 -11.25195 -11.24596 -11.24348 -11.24129 -11.23911 -11.23791 -11.23726 -11.23665 -11.23230 -11.23035 -11.22483 -11.22443 -11.22084 -11.21922 -11.21693 -11.21617 -11.21557 -11.20816 -11.20271 -8.98102 -6.66335 -6.66236 -6.66060 -1.41780 -1.40891 -1.39635 -1.37117 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2386.03 2395.77 2397.59 2398.78 2413.05 2423.09 2435.97 2489.67 2530.63 2601.07 2610.88 2659.45 2828.14 2831.85 4569.11 4592.96 4597.20 4614.70 4619.12 4632.77 4635.24 4643.00 4647.81 4648.67 4651.68 4659.82 4666.74 4673.88 4695.84 4708.96 4712.15 4716.09 4717.70 4720.47 4731.21 4740.85 4754.44 4757.26 4765.51 4795.88 4800.47 4817.19 4846.54 4851.04 4892.26 4946.07 5572.08 5599.16 5914.66 5916.28 5941.98 0.665046 0.699059 0.700004 0.598110 -1978.506212 -1978.472199 -1978.471255 -1978.573148 3.417508D-04 MUNgauss RevisionA2.0 retrievium 20-Jul-2020 DUDE C[C@]12CC[C@H]([C@@]([C@H]1Cc3c(nc(s3)NC(=O)C(C)(C)C)[C@H]2CC(=O)Nc4cccc(c4)O)(C)CO)O C43553451 RHF 6-31G(d) (6D,10F) C1 515.245393 |X|Y|Z| 76.689693 125.773644 33.649120 68.722684 22 6 7 16 19 2 1 |36.858105| |12.295179|36.858105| |7.494114|12.340807|36.858105| |6.139754|7.433952|12.432272|36.858105| |5.100741|6.237373|7.432354|12.459857|36.858105| |4.353845|4.787768|5.475873|8.879192|17.564837|0.500000| |5.909289|7.186297|6.341819|7.419647|12.301195|0.247409|36.858105| |7.365679|12.070285|7.546801|6.431138|7.351592|0.151329|12.061564|36.858105| |7.075204|8.840253|5.534768|4.886198|5.460215|0.124424|8.814809|17.515665|0.500000| |4.801672|7.279889|6.008949|5.042831|5.869531|0.125190|7.434976|12.243851|0.248389|36.858105| |4.420664|6.528277|5.351822|4.120992|4.253797|0.095756|4.886949|7.514636|0.184774|12.780932|36.858105| |5.017879|7.386486|5.694846|4.060984|3.855986|0.088167|4.308883|6.567846|0.168683|7.602625|14.339028|36.858105| |3.859972|4.934421|4.229825|3.209418|3.036324|0.072035|3.284274|4.455547|0.119929|5.114058|8.281080|13.764648|53.358707| |3.191868|4.005128|3.583105|2.865556|2.811727|0.067419|3.030097|3.941827|0.106479|4.887463|7.873680|8.698717|20.334209|36.858105| |3.160557|4.096086|3.701180|3.073020|3.197339|0.075799|3.506974|4.536898|0.119973|6.632566|10.896866|7.530231|10.126088|10.954004|388.023441| |2.642455|3.140382|2.894543|2.395104|2.342636|0.057465|2.484516|3.068525|0.084031|3.625044|5.026153|5.448907|11.289760|13.791905|48.874031|53.358707| |2.262069|2.643596|2.483707|2.125684|2.117423|0.052622|2.232429|2.662454|0.073082|3.168165|4.098414|4.098242|7.224017|7.745913|42.164134|18.923567|36.858105| |2.209504|2.605099|2.462128|2.141168|2.178106|0.054166|2.300802|2.711878|0.074116|3.331368|4.210856|3.918561|6.359845|6.774222|47.536217|11.602636|15.919202|73.516695| |1.972331|2.234906|2.120904|1.843422|1.821275|0.045903|1.903464|2.217674|0.061262|2.535833|3.117102|3.200581|5.470739|5.023346|28.567419|10.539156|12.419674|14.056363|36.858105| |1.747424|1.966086|1.885808|1.675393|1.676951|0.042664|1.744951|1.987196|0.054863|2.277093|2.693653|2.670415|4.295670|3.852948|24.633799|6.919679|7.664487|12.486027|12.427862|36.858105| |1.928614|2.175732|2.111491|1.827484|1.773089|0.044760|1.818686|2.103216|0.057330|2.364832|2.876650|3.035003|5.194023|4.459122|24.877478|8.738462|7.562089|9.770518|12.364753|7.593625|36.858105| |1.950319|2.161422|2.008333|1.750682|1.727525|0.043759|1.830490|2.137212|0.060221|2.379938|2.893814|3.038288|5.170786|4.460020|25.116839|8.659003|7.588228|9.878057|12.362735|7.590228|7.540915|36.858105| |7.772890|12.099581|7.355262|4.805307|4.219638|0.096208|4.723803|7.324327|0.187389|6.287659|7.625255|12.700593|10.377948|5.304515|33.908148|5.416049|3.157087|5.343506|2.632422|2.239335|2.564287|2.566928|36.858105| |7.816118|8.860925|5.504772|4.064503|3.705121|0.087403|4.333711|6.439082|0.190904|5.331991|6.224455|9.112365|9.089558|4.820978|30.409727|5.130494|3.018381|5.074196|2.560055|2.178375|2.460745|2.572745|17.554591|0.500000| |6.070863|7.286562|6.420673|4.288082|3.537867|0.083541|3.635489|4.789496|0.122582|4.371875|5.191748|7.668640|9.070350|4.669455|27.641639|5.168559|3.002842|4.942982|2.592571|2.183968|2.636092|2.521688|12.319050|0.249758|36.858105| |4.544029|4.865886|4.252347|3.205367|2.786770|0.067956|2.919017|3.704907|0.100918|3.508990|4.262485|6.059229|8.934914|4.608371|25.203794|5.477218|3.122078|4.957324|2.778879|2.286533|2.853955|2.793855|7.485220|0.205901|12.514251|36.858105| |4.518447|4.458303|3.714416|2.930946|2.605684|0.064436|2.803460|3.523355|0.100306|3.248311|3.828999|5.172911|7.416731|4.055331|22.901819|4.928469|2.881504|4.601851|2.606556|2.165724|2.619432|2.710007|6.439535|0.210859|8.026410|15.891981|73.516695| |3.502015|3.819443|3.604689|2.807639|2.464361|0.060734|2.517053|3.081831|0.082879|3.059827|3.735358|4.973843|8.155178|4.525677|23.893791|5.797562|3.298899|5.101542|3.020263|2.442033|3.253966|2.997079|5.271909|0.138467|7.826813|13.949531|14.939986|53.358707| |2.850617|3.029905|2.855409|2.329336|2.097232|0.052506|2.154448|2.575781|0.070605|2.590629|3.120072|3.911182|6.586037|4.009131|21.182286|5.610709|3.282506|4.958683|3.175690|2.534957|3.509485|3.262185|3.943441|0.108682|5.023619|7.647908|11.605923|18.487265|36.858105| |2.440456|2.633181|2.561575|2.129570|1.935325|0.048717|1.960494|2.299840|0.062423|2.370327|2.837344|3.400664|5.744599|3.770780|20.156692|5.604842|3.399326|5.067147|3.433316|2.725030|4.082139|3.428090|3.282146|0.088231|4.005487|5.175139|7.925698|10.868030|13.668994|36.858105| |2.104784|2.233188|2.164392|1.846756|1.702463|0.043322|1.731280|1.998093|0.054811|2.059047|2.418376|2.803084|4.619017|3.171518|17.551902|4.861936|3.116168|4.659334|3.335090|2.692448|4.017356|3.454107|2.699967|0.074074|3.139594|3.910074|6.441279|7.082915|7.928387|13.762931|36.858105| |2.039880|2.118324|2.016040|1.737601|1.611696|0.041242|1.657554|1.907105|0.053075|1.939366|2.252317|2.600909|4.206374|2.876903|16.202965|4.351958|2.821115|4.268040|3.029069|2.487211|3.437225|3.311388|2.547395|0.071831|2.900823|3.673978|6.441051|6.181581|6.819264|7.903405|13.792095|36.858105| |2.264261|2.312189|2.153312|1.843249|1.703392|0.043505|1.771543|2.058117|0.057892|2.057122|2.389817|2.814446|4.516264|2.985046|16.747366|4.364923|2.758364|4.209012|2.852881|2.343321|3.081085|3.166200|2.826928|0.081774|3.232817|4.323878|8.025661|6.997534|7.946544|6.901697|8.011506|13.734479|36.858105| |2.703301|2.767012|2.543180|2.124330|1.936719|0.048982|2.020151|2.393547|0.067143|2.366703|2.789738|3.419453|5.543067|3.461760|18.939331|4.865878|2.941718|4.493158|2.905675|2.359238|3.099015|3.139082|3.520578|0.102369|4.207024|6.287203|11.745695|10.554846|13.703327|7.915008|6.880210|7.871440|13.737015|36.858105| |2.106418|2.108998|1.948328|1.696200|1.581359|0.040711|1.656357|1.903383|0.054168|1.884667|2.149879|2.484594|3.868744|2.594497|15.036270|3.753767|2.434498|3.782595|2.528054|2.131316|2.650396|2.863969|2.520234|0.074265|2.791414|3.592129|6.991646|5.359752|5.232955|4.635820|5.298776|8.147064|14.115742|7.994479|73.516695| |6.146676|5.789621|4.970818|5.942123|7.572274|0.206338|12.310301|7.330047|0.197470|4.861118|3.720273|3.514902|3.821605|2.568324|20.154551|2.951363|1.957655|3.544508|1.706198|1.568585|1.635789|1.669217|4.046002|0.110231|3.259421|2.707871|4.773625|3.155121|2.010637|1.815877|1.620553|1.572668|1.695434|1.924550|2.856788|36.858105| |4.088479|4.783046|4.376820|4.896665|7.575086|0.188599|12.333883|7.457992|0.186051|6.736704|4.430665|3.686675|4.005045|2.847163|24.645007|3.228112|2.190764|4.107725|1.865280|1.740968|1.756358|1.788066|3.702808|0.096997|2.939963|2.477451|4.264870|2.986860|1.926290|1.781066|1.595317|1.531254|1.621964|1.818613|2.713686|7.760769|36.858105| |3.448622|3.768111|3.659491|4.372865|6.629811|0.202809|7.901672|5.020681|0.129337|4.558046|3.362052|2.926338|3.309031|2.361957|19.822152|2.756497|1.896611|3.547516|1.646628|1.554468|1.563609|1.581419|2.989973|0.079124|2.499912|2.140950|3.702367|2.617680|1.707449|1.591471|1.438564|1.384582|1.460000|1.620884|2.458037|6.894168|13.525043|73.516695| |3.971408|5.088009|6.202608|7.914675|13.454645|0.259783|7.880188|6.102131|0.128941|6.220769|4.474415|3.834093|4.186059|2.947967|24.914700|3.340168|2.249540|4.186706|1.914718|1.778212|1.861868|1.783189|3.857467|0.092632|3.292679|2.635395|4.314018|3.263607|2.056485|1.933336|1.702488|1.595727|1.664685|1.877790|2.731541|5.108182|6.958768|10.743141|73.516695| |17.690954|8.584153|7.071859|7.013593|5.584978|0.138347|6.052543|6.255230|0.161279|4.226011|3.744212|4.042231|4.392841|2.760095|19.825111|3.173308|2.035083|3.562588|1.792234|1.608135|1.761352|1.764354|5.576550|0.150748|4.813319|3.734728|6.554249|4.119160|2.514695|2.196868|1.916154|1.856248|2.038322|2.389751|3.394265|7.000234|4.103068|6.444459|7.271103|0.500000| |17.566683|8.719553|5.493792|4.832340|4.479072|0.109544|5.664964|7.067867|0.224551|4.630196|4.255173|4.717017|5.037311|3.110706|22.069622|3.528442|2.233954|3.889252|1.952068|1.734635|1.882540|1.956748|6.717285|0.217463|5.052200|4.167019|7.796139|4.396490|2.711252|2.317803|2.028595|1.994165|2.230516|2.638549|3.744721|6.380541|4.137013|6.161442|6.355842|0.302898|0.500000| |17.592929|8.741196|6.438730|5.090021|4.111268|0.100137|4.460143|5.440689|0.147531|4.031955|3.984354|4.776863|5.284279|3.139766|21.100017|3.603133|2.245077|3.835756|1.982608|1.741597|1.963135|1.973857|7.627969|0.221182|7.146804|5.394209|9.681532|5.424126|3.181409|2.659308|2.272842|2.210240|2.486772|3.027348|4.093982|4.587117|3.333415|5.135979|6.014494|0.306047|0.304314|0.500000| |6.941490|8.759521|17.556084|8.922041|5.480517|0.124161|4.762863|5.468119|0.123491|4.589073|4.439627|5.031365|5.468908|3.349445|23.334270|3.787738|2.378103|4.122754|2.067305|1.828820|2.094964|1.965831|6.728057|0.144203|7.258361|4.637323|7.021073|5.373681|3.059226|2.724874|2.278066|2.112398|2.260695|2.695388|3.611975|4.129583|3.523796|5.460778|8.438491|0.185447|0.139472|0.191194|0.500000| |5.476180|8.800943|17.543105|8.868156|6.701512|0.137655|5.646351|6.841355|0.139819|6.682915|6.165642|6.225952|6.299504|4.015622|30.287940|4.337617|2.732771|4.857226|2.294653|2.038480|2.290184|2.128860|6.804200|0.138515|6.035427|4.118531|6.235518|4.966894|2.898624|2.657838|2.232766|2.049224|2.157038|2.531267|3.437582|4.222463|4.273438|6.288534|12.027848|0.141231|0.122839|0.136908|0.303970|0.500000| |6.743364|6.640435|8.804549|17.574010|8.858670|0.221896|6.532410|5.563073|0.126979|4.198288|3.546062|3.597736|3.964385|2.584587|19.263079|2.989124|1.953237|3.472669|1.716761|1.561860|1.703984|1.650632|4.414382|0.108839|4.042855|3.100747|5.160910|3.658490|2.248306|2.038323|1.780089|1.691979|1.808307|2.081847|2.983868|6.353480|4.392496|7.281716|10.189390|0.251213|0.144875|0.155025|0.216865|0.173755|0.500000| |4.669884|5.455660|8.859201|17.502980|8.920474|0.210757|5.466744|4.846065|0.107479|4.234285|3.612315|3.554406|3.984958|2.659052|20.174159|3.081816|2.031638|3.643145|1.776674|1.625364|1.780481|1.673296|4.022154|0.095153|3.824446|2.931642|4.717057|3.610918|2.220486|2.064832|1.795613|1.677325|1.759673|2.010328|2.871494|4.570273|4.117064|6.862998|13.229169|0.144939|0.106194|0.115612|0.215654|0.217071|0.306025|0.500000| |4.067790|5.428843|4.550297|4.132414|5.022127|0.114241|6.667853|8.831049|0.227206|17.570043|9.053400|5.846796|5.972178|4.428232|45.008253|4.641627|3.084661|5.908567|2.477429|2.264615|2.264045|2.342887|4.895471|0.125047|3.588536|3.043784|5.149553|3.664683|2.346769|2.164762|1.914337|1.820608|1.926973|2.182628|3.175542|4.637138|7.446749|8.625503|9.527353|0.101777|0.114576|0.096018|0.101905|0.135414|0.099607|0.098900|0.500000| |4.248168|6.232686|6.206520|5.487966|6.649568|0.137828|7.081282|8.707659|0.175171|17.630554|9.008848|6.096136|6.081524|4.384016|42.256120|4.584824|3.011625|5.695660|2.431957|2.213591|2.303357|2.240263|5.229884|0.120919|4.013797|3.199489|5.174687|3.915013|2.441454|2.276953|1.979981|1.846756|1.933748|2.206155|3.139829|4.523355|6.635323|8.385654|14.950749|0.108961|0.109806|0.101067|0.129898|0.210943|0.120355|0.133085|0.304788|0.500000| |2.620707|3.042004|2.802476|2.309982|2.220651|0.054781|2.343989|2.879676|0.079312|3.259404|4.375001|5.057793|10.773733|9.561179|37.385541|26.032051|9.241705|10.846450|7.349574|4.678928|6.882613|6.765171|3.932615|0.105274|3.946974|4.462748|7.120682|6.751020|5.053233|5.088976|4.347596|3.837895|3.833979|4.299886|5.682992|2.081898|2.206095|3.381368|4.069615|0.064068|0.071293|0.074433|0.076474|0.084230|0.059517|0.060755|0.084468|0.084137|0.500000| |1.725511|1.956511|1.904926|1.699454|1.704401|0.043360|1.754769|1.982997|0.054136|2.294945|2.692128|2.629568|4.160333|3.740196|24.831836|6.450025|6.965203|12.616188|8.761222|17.591864|6.914431|5.496314|2.201375|0.058697|2.151326|2.210861|3.680593|3.218765|2.414491|2.611051|2.545244|2.316796|2.179169|2.214769|3.509107|1.565784|1.756910|2.797117|3.251116|0.044349|0.047251|0.047590|0.051218|0.057757|0.043752|0.046122|0.063214|0.062953|0.118526|0.500000| |1.616532|1.794513|1.727111|1.544271|1.538719|0.039397|1.595266|1.800365|0.049825|2.026651|2.359536|2.367376|3.770293|3.249565|20.703212|5.657006|5.546393|8.937846|8.843490|17.552409|6.962878|6.957959|2.032955|0.055282|2.007899|2.122656|3.600447|3.107240|2.412740|2.625296|2.669286|2.487742|2.307494|2.273667|3.762209|1.449156|1.587340|2.542020|2.881832|0.041513|0.044608|0.045002|0.046885|0.051437|0.040258|0.041748|0.055908|0.054821|0.111865|0.300772|0.500000| |1.736061|1.949126|1.850668|1.655506|1.675884|0.042720|1.761943|2.002359|0.055768|2.304250|2.701556|2.630801|4.151669|3.740187|24.992957|6.427265|6.979217|12.776172|8.763336|17.599577|5.498602|6.912853|2.202351|0.060011|2.106605|2.191031|3.733793|3.118350|2.354495|2.469013|2.429046|2.289104|2.199422|2.224693|3.609938|1.585729|1.778549|2.819123|3.157223|0.044388|0.048273|0.047723|0.049448|0.055324|0.042924|0.044387|0.064723|0.061777|0.117973|0.302748|0.300760|0.500000| |2.067936|2.327854|2.250996|1.920713|1.838459|0.046237|1.885458|2.203215|0.060029|2.444082|3.010059|3.294558|5.833731|4.786684|25.079637|9.393483|6.709163|8.597424|8.654181|5.481679|17.560469|6.886522|2.806405|0.074815|2.960424|3.303256|5.320847|5.325976|4.364789|5.308229|5.129597|4.181055|3.682171|3.730667|5.424181|1.700955|1.794221|2.830712|3.398200|0.052100|0.055815|0.059149|0.062710|0.067508|0.049884|0.051827|0.064111|0.065678|0.236559|0.139991|0.142170|0.122151|0.500000| |1.752621|1.945936|1.893182|1.659668|1.611306|0.041015|1.649639|1.882757|0.051559|2.086401|2.476779|2.603905|4.318802|3.580428|20.846624|6.505215|5.510172|7.791991|8.822210|7.044294|17.561579|6.840622|2.260299|0.060856|2.334439|2.540230|4.210707|3.929455|3.180388|3.736559|3.901456|3.402836|2.972945|2.888294|4.620299|1.499836|1.598366|2.554144|2.993878|0.044773|0.047686|0.049688|0.052429|0.056470|0.043305|0.045066|0.055870|0.056569|0.143123|0.174199|0.213293|0.142582|0.302933|0.500000| |1.913392|2.180666|2.157099|1.872222|1.816568|0.045812|1.840126|2.112285|0.056842|2.400825|2.899557|3.007586|5.028808|4.344994|25.276221|7.980368|6.945941|9.846034|8.731730|6.849442|17.551762|5.474644|2.532711|0.066355|2.609694|2.744296|4.410539|4.252393|3.257255|3.793623|3.624787|3.057199|2.760906|2.823565|4.234873|1.641074|1.780569|2.824950|3.433776|0.048839|0.051446|0.053840|0.059375|0.065848|0.048139|0.051112|0.063524|0.066078|0.162738|0.204586|0.169285|0.140181|0.301152|0.301663|0.500000| |1.946816|2.152300|1.975726|1.735098|1.732865|0.043968|1.858528|2.168556|0.061824|2.423791|2.923486|3.005763|4.978335|4.332933|25.653260|7.848889|6.964097|10.023518|8.734381|6.867066|5.475295|17.556639|2.531639|0.071285|2.422677|2.648687|4.641358|3.747776|2.928729|2.977554|2.964273|2.904954|2.862969|2.870363|4.724117|1.697846|1.835920|2.879321|3.175765|0.048907|0.054851|0.054240|0.053199|0.057918|0.045500|0.045810|0.067434|0.062783|0.158720|0.140370|0.169806|0.205240|0.140400|0.139877|0.122315|0.500000| |1.770514|1.936522|1.816701|1.600555|1.576273|0.040227|1.659026|1.908349|0.053712|2.097333|2.488724|2.607887|4.309668|3.583238|20.988620|6.477660|5.518243|7.837950|8.816102|7.015215|6.858824|17.561628|2.264076|0.063144|2.254209|2.500244|4.339003|3.679405|2.995141|3.212137|3.377830|3.287736|3.060293|2.929005|5.001333|1.526640|1.622862|2.579308|2.886622|0.044865|0.049311|0.049961|0.049723|0.053206|0.042149|0.042734|0.057431|0.055317|0.142015|0.142207|0.212198|0.173355|0.170353|0.203835|0.139907|0.301588|0.500000| |2.098688|2.314523|2.128887|1.833521|1.789910|0.045185|1.902286|2.247780|0.063572|2.466908|3.038689|3.308116|5.819691|4.807477|25.414144|9.340551|6.756306|8.701353|8.660079|5.481091|6.868280|17.561775|2.816091|0.079201|2.803368|3.214331|5.577197|4.744022|3.908268|4.046121|4.066777|3.947998|3.827535|3.801409|6.031612|1.742132|1.832011|2.869399|3.250408|0.052280|0.058489|0.059625|0.058305|0.062253|0.048199|0.048446|0.066638|0.063894|0.231421|0.122149|0.141913|0.140146|0.205785|0.168954|0.140362|0.301407|0.302660|0.500000| |4.946952|6.293942|6.601515|4.347544|3.546987|0.083359|3.480438|4.434161|0.109369|4.322378|5.187080|7.214153|8.970580|4.823261|28.618869|5.364791|3.126938|5.156927|2.684768|2.263104|2.787586|2.537482|8.758502|0.175593|17.582179|8.790154|10.415703|10.354738|4.903579|4.173148|3.208229|2.864544|3.078638|3.896085|4.664642|3.033458|2.862024|4.358082|6.103282|0.116634|0.114940|0.151187|0.213147|0.191678|0.109622|0.112282|0.097544|0.115766|0.112622|0.062751|0.057597|0.059991|0.087036|0.067994|0.078250|0.066933|0.063087|0.077488|0.500000| |6.867777|7.009779|6.551592|4.532404|3.567864|0.085675|3.589951|4.472554|0.114735|3.857089|4.226464|5.568981|6.596460|3.697040|23.040150|4.253057|2.565285|4.273160|2.264857|1.944545|2.312271|2.219134|8.740207|0.205140|17.593302|9.145634|12.660854|8.586185|4.382891|3.547399|2.859971|2.684341|3.002507|3.835769|4.704243|3.350309|2.846575|4.395055|5.699650|0.154819|0.149267|0.257454|0.231482|0.155828|0.124574|0.112145|0.089580|0.100253|0.090074|0.053328|0.050168|0.052267|0.071417|0.057848|0.063747|0.059480|0.055944|0.067951|0.303736|0.500000| |3.391965|3.853035|3.814587|2.934786|2.559383|0.062680|2.561756|3.121028|0.081928|3.178378|3.913167|5.135252|8.448092|4.792028|25.309218|6.094897|3.464814|5.376871|3.128602|2.532657|3.446971|2.987175|5.181391|0.127720|7.684362|9.537637|10.934202|26.100598|9.430031|7.732688|4.955823|4.092650|4.312836|5.778062|6.004670|2.314177|2.237306|3.484799|4.507669|0.082546|0.085460|0.104600|0.116607|0.111114|0.076587|0.078185|0.076768|0.084767|0.141764|0.069177|0.065320|0.065371|0.115178|0.083714|0.094462|0.075667|0.074682|0.094526|0.250674|0.168229|0.500000| |2.432123|2.679522|2.678015|2.216905|2.005737|0.050313|2.002803|2.340229|0.062528|2.446124|2.933633|3.477322|5.841021|3.900652|21.012650|5.764739|3.518719|5.280909|3.498974|2.796273|4.307122|3.313952|3.298062|0.085932|4.051774|4.845902|7.118973|10.001303|8.876920|17.700394|8.911585|5.633255|4.965619|5.630313|6.531169|1.832454|1.819798|2.891863|3.606201|0.061218|0.063371|0.072909|0.079355|0.078674|0.058297|0.060358|0.061569|0.066271|0.141060|0.076028|0.074207|0.069619|0.155046|0.107341|0.116357|0.079871|0.085839|0.105046|0.123933|0.098978|0.236862|0.500000| |1.919353|2.046054|2.010265|1.735263|1.608361|0.041093|1.623893|1.853121|0.050597|1.926661|2.242880|2.541749|4.132454|2.923573|16.555480|4.541009|3.021259|4.548371|3.327302|2.739154|4.186958|3.361052|2.422621|0.065849|2.772004|3.291934|5.404732|5.746403|5.646630|8.953987|17.710271|8.953020|5.677844|4.955228|7.589438|1.516229|1.508758|2.432311|2.884093|0.049007|0.051331|0.056988|0.058537|0.058045|0.046322|0.047256|0.050002|0.051981|0.109910|0.072541|0.076659|0.067689|0.145806|0.117228|0.106239|0.079376|0.093630|0.106042|0.080019|0.070661|0.117218|0.216036|0.500000| |1.836508|1.896861|1.810997|1.582928|1.479288|0.038091|1.520864|1.730368|0.048292|1.761591|2.020723|2.288446|3.637434|2.540519|14.670537|3.858284|2.581682|3.949686|2.833151|2.384266|3.196299|3.134583|2.236497|0.063215|2.494942|3.052920|5.419869|4.922036|4.926609|5.616432|8.852112|17.747280|8.933899|5.628429|13.271158|1.449831|1.416859|2.292094|2.608820|0.046814|0.050148|0.054848|0.052438|0.051101|0.042921|0.042577|0.046343|0.046753|0.092312|0.061494|0.067443|0.061093|0.104362|0.090835|0.078908|0.076804|0.089232|0.101291|0.068544|0.064861|0.092650|0.123649|0.213407|0.500000| |2.962879|2.948765|2.641359|2.206406|2.008995|0.050842|2.121374|2.527133|0.071869|2.441765|2.846736|3.519529|5.495088|3.360399|18.784874|4.550958|2.756214|4.286608|2.666341|2.198265|2.756065|2.893233|3.773628|0.114273|4.448235|6.872307|15.202246|9.585082|8.914173|5.639692|4.962346|5.622266|8.902867|17.801779|12.833342|2.047263|1.894107|2.994814|3.412967|0.071967|0.081338|0.093690|0.077684|0.071646|0.060696|0.057334|0.062600|0.062479|0.108289|0.057402|0.058549|0.058462|0.089566|0.071244|0.070385|0.075484|0.074541|0.095984|0.108770|0.114917|0.144041|0.123925|0.107674|0.124100|0.500000| |2.241140|2.210577|2.015228|1.753673|1.633499|0.042062|1.723526|1.986588|0.056995|1.942306|2.204835|2.563153|3.932192|2.598918|15.168474|3.678136|2.367202|3.711202|2.408549|2.039766|2.477708|2.720883|2.647257|0.079477|2.913823|3.790262|7.732073|5.400271|5.018329|4.190833|4.454722|6.063718|10.020093|7.883362|35.745490|1.685432|1.580679|2.541585|2.797520|0.056158|0.062760|0.068535|0.058356|0.055014|0.048487|0.046080|0.051143|0.050207|0.086021|0.052603|0.055791|0.054517|0.078471|0.066752|0.062343|0.071400|0.073235|0.089105|0.074527|0.077349|0.092906|0.094357|0.101290|0.151973|0.233944|0.500000| |4.598677|4.414989|4.070326|5.023268|6.669867|0.211049|8.806797|5.433597|0.147089|4.105025|3.195343|2.981569|3.340217|2.290127|18.112845|2.675365|1.802024|3.284877|1.582881|1.471460|1.517582|1.546202|3.308585|0.090134|2.765808|2.349999|4.143066|2.795854|1.807241|1.651236|1.487169|1.444830|1.546936|1.735299|2.619352|17.631976|7.561192|15.069721|8.531119|0.145413|0.131663|0.102256|0.096712|0.099942|0.148543|0.114950|0.112957|0.110213|0.052344|0.040927|0.037884|0.041423|0.043550|0.038861|0.042407|0.043768|0.039507|0.044512|0.072791|0.078848|0.057174|0.046373|0.038900|0.037235|0.050960|0.042776|0.500000| |6.118152|5.474155|4.337688|4.684024|5.504824|0.145899|8.732800|7.003515|0.225020|4.694942|3.717752|3.550088|3.885897|2.606636|20.277957|3.000710|1.986611|3.585163|1.733600|1.589761|1.647721|1.716227|4.082494|0.117035|3.222937|2.750635|4.966846|3.170836|2.037699|1.825787|1.636966|1.602918|1.741811|1.976753|2.956304|17.555325|6.735518|10.189600|7.413266|0.177614|0.201681|0.128107|0.102933|0.104357|0.137591|0.103867|0.129062|0.115188|0.058939|0.043751|0.040817|0.044871|0.047630|0.042015|0.045538|0.048825|0.043528|0.049909|0.081523|0.091104|0.063729|0.050682|0.042363|0.041081|0.058958|0.048740|0.302304|0.500000| |7.214654|5.962187|5.325535|6.626651|7.081211|0.197696|8.607487|6.273891|0.164467|4.246804|3.438347|3.391471|3.727821|2.463718|18.733529|2.853762|1.881161|3.368589|1.654089|1.513896|1.603785|1.621338|4.088569|0.111104|3.421994|2.811423|4.955591|3.254232|2.058709|1.848801|1.644455|1.596400|1.727090|1.970363|2.908125|17.671766|5.574996|9.284809|8.317065|0.271491|0.194102|0.147582|0.127518|0.119100|0.226925|0.138774|0.108562|0.111809|0.056564|0.041957|0.039033|0.042234|0.046626|0.040948|0.044685|0.045475|0.041352|0.047267|0.087765|0.101410|0.066092|0.051780|0.042634|0.040798|0.058474|0.047773|0.304716|0.302929|0.500000| |3.663658|4.501672|4.294550|4.626351|6.898257|0.164617|8.746256|6.779779|0.161916|7.681077|4.855193|3.828791|4.182349|3.050203|27.714726|3.436062|2.353416|4.485982|1.978875|1.856448|1.856414|1.869665|3.643169|0.093242|2.917319|2.460429|4.174013|3.012847|1.945682|1.818239|1.626282|1.548930|1.626931|1.818867|2.705471|5.570974|17.693896|16.660920|14.035272|0.100078|0.100762|0.085392|0.095882|0.123788|0.110577|0.112432|0.247923|0.233905|0.064297|0.052465|0.046686|0.052728|0.052318|0.046688|0.052692|0.053302|0.046964|0.052810|0.080681|0.076989|0.063437|0.052021|0.042926|0.039808|0.052093|0.043505|0.149426|0.138770|0.123193|0.500000| |3.956261|4.462725|3.837122|4.052364|5.504812|0.140314|8.822652|6.943745|0.203186|6.288576|4.364984|3.648259|4.006575|2.863068|24.740521|3.257656|2.216101|4.156783|1.888038|1.762705|1.756443|1.831733|3.629020|0.098701|2.843072|2.455000|4.303288|2.943021|1.916829|1.763612|1.589127|1.537928|1.637598|1.831123|2.758466|7.090425|17.483139|16.493489|9.000062|0.107316|0.117134|0.090260|0.088241|0.103433|0.104773|0.095480|0.213678|0.155832|0.061823|0.049006|0.044639|0.050440|0.049775|0.044478|0.049025|0.052769|0.046091|0.052141|0.075534|0.075960|0.060528|0.049608|0.041631|0.039606|0.053281|0.044798|0.188797|0.201690|0.141456|0.300980|0.500000| 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