Version2.0 2020-01-23T22:25:53Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 23-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCC(C)(C)NC(=O)[C@H](c1ccc(o1)C)N(c2cc(ccc2OC)C)C(=O)c3c(c(ns3)C(=O)N)N C06462269 RHF 6-31G(d) (6D,7F) CCC(C)(C)NC(=O)[C@H](c1ccc(o1)C)N(c2cc(ccc2OC)C)C(=O)c3c(c(ns3)C(=O)N)N C01[X(C25H31N5O5S1)] 195 C1 606 COc1ccc(cc1N(C(=O)c1snc(c1N)C(=O)N)[C@H](C(=O)NC(CC)(C)C)c1ccc(o1)C)C COc1ccc(cc1N(C(=O)c1snc(c1N)C(=O)N)[C@H](C(=O)NC(CC)(C)C)c1ccc(o1)C)C CCC(C)(C)NC(=O)[C@@H](N(C(=O)c1snc(C(N)=O)c1N)c2cc(C)ccc2OC)c3oc(C)cc3 InChIKey=CZYSRHSBMNWYAM-FQEVSTJZSA-N InChI=1S/C25H31N5O5S/c1-7-25(4,5)28-23(32)20(17-11-9-14(3)35-17)30(15-12-13(2)8-10-16(15)34-6)24(33)21-18(26)19(22(27)31)29-36-21/h8-12,20H,7,26H2,1-6H3,(H2,27,31)(H,28,32)/t20-/m0/s1 InChI=1/C25H31N5O5S/c1-7-25(4,5)28-23(32)20(17-11-9-14(3)35-17)30(15-12-13(2)8-10-16(15)34-6)24(33)21-18(26)19(22(27)31)29-36-21/h8-12,20H,7,26H2,1-6H3,(H2,27,31)(H,28,32)/t20-/m0/s1/f/h28H,27H2 CCC(C)(C)NC(=O)[C@H](c1ccc(o1)C)N(c2cc(ccc2OC)C)C(=O)c3c(c(ns3)C(=O)N)N C01[X(C25H31N5O5S1)] 195 C01 606 COc1ccc(cc1N(C(=O)c1snc(c1N)C(=O)N)[C@H](C(=O)NC(CC)(C)C)c1ccc(o1)C)C COc1ccc(cc1N([C@H](C(=O)NC(CC)(C)C)c1ccc(o1)C)C(=O)[C@H]1SN[C@H]([C@@H]1N)C(=O)N)C CCC(C)(C)NC(=O)[C@@H](N(C(=O)[C@H]1SN[C@H]([C@@H]1N)C(N)=O)c2cc(C)ccc2OC)c3oc(C)cc3 InChIKey=RKHHECNVQJJNHW-WOZUAGRISA-N InChI=1S/C25H35N5O5S/c1-7-25(4,5)28-23(32)20(17-11-9-14(3)35-17)30(15-12-13(2)8-10-16(15)34-6)24(33)21-18(26)19(22(27)31)29-36-21/h8-12,18-21,29H,7,26H2,1-6H3,(H2,27,31)(H,28,32)/t18-,19+,20-,21-/m0/s1 InChI=1/C25H35N5O5S/c1-7-25(4,5)28-23(32)20(17-11-9-14(3)35-17)30(15-12-13(2)8-10-16(15)34-6)24(33)21-18(26)19(22(27)31)29-36-21/h8-12,18-21,29H,7,26H2,1-6H3,(H2,27,31)(H,28,32)/t18-,19+,20-,21-/m0/s1/f/h28H,27H2 4392.9545692868 -2008.8310649 1-A 18109.3170 136 470 606 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 14.3640 18.3000 22.2009 25.1672 35.1596 37.5028 38.8224 46.2468 48.5199 56.9232 61.0920 75.3153 87.5869 92.5707 104.0245 114.2621 126.4182 132.6122 150.4970 154.0571 154.2447 160.7878 173.7401 212.3795 222.4473 225.0745 240.6434 251.0645 257.5718 271.7515 279.8398 286.2406 299.8062 305.6078 314.0026 323.5185 325.3949 351.1011 366.7530 371.5191 374.7478 387.7000 397.4447 406.2011 424.1218 440.3054 445.7625 459.0259 484.6502 488.9791 499.7303 508.9357 532.0775 553.1635 561.3118 564.7179 585.8132 592.1955 618.2609 632.6903 644.2704 646.9459 666.8503 694.9249 697.2465 707.5145 725.9015 742.9817 746.4015 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3220.1560 3222.8724 3258.0653 3266.7372 3267.0134 3271.1039 3276.6632 3278.5006 3280.6104 3288.3875 3291.4937 3297.9446 3323.2877 3329.9595 3336.5080 3361.1172 3369.9738 3406.6973 3429.3905 3443.5565 3827.0350 3842.8385 3878.4080 3955.6801 3976.2226 5.0064 6.4399 4.5679 4.1340 2.5556 1.4797 2.5792 3.4436 4.0718 5.0528 6.0724 6.0492 2.1489 4.2643 6.1334 4.5862 6.8311 3.5359 2.7766 1.6417 2.3145 4.4437 5.5760 5.8086 1.0710 3.9993 4.2792 4.9706 3.4878 1.2142 1.4475 4.0069 2.5616 1.5294 1.7510 1.8526 3.4375 3.6673 3.5666 3.3546 2.5973 2.9356 3.9809 4.1892 4.4212 4.3878 8.3217 4.4749 1.4034 3.7768 3.2314 3.9900 5.6798 4.5297 2.1871 3.3327 1.8800 5.2472 1.1874 3.5848 3.1936 1.3970 4.0599 3.1664 4.1783 4.0104 4.8410 6.3607 6.1227 4.6234 4.9489 4.5321 4.9067 8.7904 1.1813 4.2025 5.8175 9.2878 1.4391 3.4634 1.4827 5.4362 8.4717 2.6713 1.4779 1.5752 3.2807 1.4430 2.9208 2.1303 2.7058 2.6472 1.5268 1.2230 1.7942 1.7218 2.3679 2.1939 3.2616 1.4974 1.4749 1.7697 4.2605 4.7095 1.7467 2.1158 3.0160 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4622.09 4622.85 4633.09 4636.99 4687.63 4700.11 4700.50 4706.39 4714.39 4717.03 4720.07 4731.26 4735.73 4745.01 4781.47 4791.07 4800.49 4835.90 4848.64 4901.48 4934.13 4954.51 5506.25 5528.99 5580.16 5691.34 5720.90 0.584064 0.619461 0.620405 0.512453 -2008.247001 -2008.211604 -2008.210660 -2008.318612 3.620728D-04 MUNgauss RevisionA2.0 retrievium 23-Jan-2020 DUDE CCC(C)(C)NC(=O)[C@H](c1ccc(o1)C)N(c2cc(ccc2OC)C)C(=O)c3c(c(ns3)C(=O)N)N C06462269 RHF 6-31G(d) (6D,10F) C1 513.204591 |X|Y|Z| 97.245620 74.055948 56.287283 74.008243 19 6 7 8 16 15 2 1 1 |36.858105| |12.458218|36.858105| |7.283366|12.339138|36.858105| |6.107761|7.519753|12.427113|36.858105| |6.063700|7.501603|12.412742|7.544470|36.858105| |4.995319|7.992652|12.911628|7.763405|7.710011|53.358707| |3.768721|5.157575|7.605030|6.175196|6.224962|19.308706|36.858105| |3.452119|4.376426|6.545612|6.177285|6.089770|11.447558|15.835903|73.516695| |3.041171|3.979802|4.908620|4.230747|4.260322|10.516301|12.321845|14.397604|36.858105| |2.793119|3.540317|4.325875|4.065074|3.717679|8.438435|9.228169|13.414366|17.637549|0.500000| |3.018260|3.982767|4.391182|3.722556|3.693870|9.003901|7.270943|9.194513|12.701648|0.257674|36.858105| |2.706937|3.435594|3.615823|3.257415|3.030069|6.694005|5.147708|7.213972|7.410993|0.201856|14.213907|36.858105| |2.644408|3.299987|3.254638|2.877926|2.772372|5.678481|4.047764|5.821264|5.141453|0.132740|8.561491|13.231427|36.858105| |2.893228|3.684797|3.560353|2.985537|3.082156|6.266563|4.296630|6.039453|5.276537|0.125118|8.721461|8.577311|14.207398|36.858105| |3.176768|4.223453|4.341779|3.476056|3.760419|8.404774|5.897783|7.727782|7.687395|0.160242|14.107293|8.658508|8.650651|14.130466|73.516695| |2.800210|3.429574|3.160589|2.636731|2.839311|5.152880|3.446570|5.048490|3.901320|0.094110|5.332672|5.145686|7.322020|12.788466|14.028252|36.858105| |2.626374|3.271317|3.948372|3.433020|3.808854|7.324145|7.707948|11.863515|12.990785|0.260077|7.638432|5.360701|4.181289|4.424130|10.819186|3.518366|53.358707| |2.221838|2.669415|3.129200|2.879040|3.022583|5.410269|5.267793|9.011377|7.751722|0.217727|5.728444|4.764760|3.733298|3.713815|8.132562|3.015251|18.216565|36.858105| |2.106482|2.480054|2.950590|2.843502|2.868286|4.888780|4.768039|9.045587|5.999234|0.190655|4.430095|3.909978|3.103832|3.026140|6.384164|2.519687|10.710536|13.791570|36.858105| |1.836355|2.114937|2.446139|2.403496|2.378774|3.912503|3.574512|6.716866|4.300382|0.136470|3.537368|3.331144|2.731998|2.612683|5.260373|2.220190|6.984867|7.861469|13.682698|36.858105| |1.707130|1.959191|2.206846|2.138769|2.138916|3.527170|3.108421|5.591784|3.836138|0.117722|3.396815|3.303446|2.775945|2.629833|5.153870|2.248923|6.210462|6.919533|8.040653|13.774299|36.858105| |1.763905|2.044947|2.273570|2.149083|2.195373|3.699851|3.225387|5.564994|4.182751|0.122968|3.880826|3.770790|3.199387|3.043164|5.943942|2.579570|7.002652|7.954934|6.906729|7.853062|13.705780|36.858105| |1.996240|2.364490|2.655615|2.442852|2.557382|4.476505|4.003323|6.668335|5.637821|0.156897|5.120399|4.645225|3.824536|3.737467|7.678699|3.072153|10.582621|13.603158|7.900939|6.758907|7.924911|13.764587|36.858105| |2.041747|2.432129|2.658923|2.380349|2.557629|4.503086|3.840505|6.121670|5.384857|0.137854|5.562547|4.996243|4.395804|4.468154|9.052826|3.681538|9.535402|8.171609|5.286448|4.581950|5.200171|7.882512|14.198428|73.516695| |1.821293|2.126217|2.262586|2.049334|2.180293|3.704021|3.026133|4.895307|3.935730|0.103963|4.268850|4.172314|3.986733|3.976435|7.340850|3.468234|6.298183|5.245894|3.982216|3.767552|4.511236|6.721135|8.022745|24.185809|36.858105| |1.718824|1.942102|2.245596|2.272188|2.197979|3.467763|3.093053|6.019677|3.449008|0.109150|2.883808|2.756307|2.311173|2.210729|4.382049|1.914794|5.246270|5.006520|7.547122|12.606860|7.521938|4.987945|4.400016|5.975010|2.911193|36.858105| |2.693381|3.322712|3.964606|3.292474|4.122186|6.965499|6.554737|10.361536|7.855956|0.162344|5.917955|4.282801|3.683965|4.167312|10.209168|3.548836|19.043913|7.699410|5.547684|4.054644|3.722793|4.190800|5.847327|10.652282|4.259096|3.235738|36.858105| |3.137822|3.983046|4.738380|3.651607|5.062456|8.386379|7.067138|10.366734|7.177880|0.144121|5.946832|4.207666|3.771059|4.508631|11.544143|3.947323|11.675665|5.364932|4.247940|3.280977|3.041713|3.372557|4.421902|8.438301|3.647213|2.742349|15.736804|73.516695| |2.298586|2.707724|3.134839|2.705384|3.383954|5.056443|4.457633|7.720877|5.000326|0.117662|4.152247|3.324026|2.978402|3.302541|7.342984|2.971756|10.441067|6.409494|5.047994|3.958540|3.722008|4.163853|5.444177|9.751886|4.166009|3.199871|12.875434|14.595517|36.858105| |2.235128|2.574054|2.896662|2.478284|3.234425|4.456434|3.674213|6.361937|3.873151|0.092474|3.432826|2.826367|2.641620|2.983968|6.411300|2.824727|6.949247|4.395784|3.713340|3.108189|2.985427|3.298709|4.028680|7.571385|3.546961|2.638833|7.637558|12.113993|13.867911|36.858105| |1.926541|2.164074|2.409155|2.132711|2.669296|3.614613|2.963610|5.283336|3.120103|0.077958|2.798909|2.401847|2.256152|2.479262|5.110306|2.369551|5.425272|3.779291|3.372776|2.972702|2.896855|3.135463|3.600668|6.548786|3.235079|2.581148|5.123683|8.045656|8.272860|13.106369|36.858105| |1.807771|2.030692|2.279719|2.063922|2.476425|3.447339|2.891730|5.249615|3.109144|0.079798|2.745228|2.390349|2.208105|2.368044|4.845970|2.219940|5.520458|4.140325|3.804487|3.432627|3.354707|3.569875|3.975499|6.859036|3.381495|2.959976|4.842499|7.170303|7.717301|8.202924|14.850831|53.358707| |1.943551|2.231189|2.561050|2.326237|2.715998|4.016463|3.539586|6.455671|3.995992|0.103020|3.360255|2.874038|2.559289|2.706455|5.682387|2.439827|7.829591|6.324421|5.625869|4.767760|4.522690|4.845142|5.703799|9.022100|4.073864|3.810325|6.541355|8.531621|10.928582|7.484708|7.844002|15.866121|388.023441| |1.779630|1.955415|2.131054|1.899716|2.376967|3.108026|2.468643|4.400538|2.541105|0.064281|2.343217|2.054319|1.969615|2.163308|4.340113|2.123462|4.166303|2.913853|2.669975|2.425169|2.385268|2.550048|2.831230|5.205325|2.692331|2.172740|3.752094|6.310178|5.091459|7.286195|12.692562|10.772776|35.081823|36.858105| |1.840629|2.005913|2.156713|1.902037|2.434856|3.099609|2.405597|4.246300|2.432588|0.061055|2.275951|1.993230|1.936617|2.153412|4.300311|2.154300|3.875866|2.640217|2.410345|2.177534|2.135816|2.287196|2.555062|4.774204|2.483252|1.963812|3.512505|6.216954|4.448944|6.436686|8.054366|7.419853|28.283997|15.814007|73.516695| |1.589676|1.730328|1.878603|1.707357|2.067310|2.725662|2.167732|3.900512|2.242538|0.057904|2.076430|1.856245|1.778914|1.920813|3.789503|1.881367|3.631461|2.632868|2.473224|2.315684|2.300661|2.424126|2.600658|4.697211|2.488453|2.109446|3.114636|5.167550|4.065539|5.060097|7.942764|9.591638|31.265487|14.205800|15.097979|53.358707| |2.418153|2.774901|3.041867|2.527390|3.470041|4.576507|3.568576|6.010986|3.621542|0.085250|3.348736|2.752081|2.648945|3.085973|6.599086|3.034606|5.961681|3.637471|3.102550|2.627685|2.535199|2.796943|3.377141|6.559329|3.171388|2.276042|6.354125|12.425454|7.777479|14.125139|7.745883|7.257444|34.948004|6.278778|12.021777|5.956097|53.358707| |17.572940|8.731608|6.532550|6.690873|5.336627|6.177232|3.559828|5.973041|2.870721|0.075108|2.809811|2.567237|2.472265|2.631020|5.092463|2.507364|3.365617|2.127858|2.052273|1.802419|1.666405|1.703319|1.907172|3.422965|1.721855|1.707617|2.487721|5.018350|2.140621|2.063330|1.802093|2.327955|13.126731|1.665024|3.038389|2.043367|2.984379|0.500000| |17.550041|8.853671|5.397126|4.657405|4.643327|5.718336|3.260660|5.264708|2.756934|0.070594|2.824980|2.587312|2.599939|2.852647|5.387639|2.840621|3.268633|2.055964|1.937465|1.707304|1.605864|1.669012|1.879366|3.452541|1.755487|1.595766|2.462645|5.065324|2.125287|2.083155|1.807652|2.305815|12.855208|1.684270|3.109504|2.055192|3.084858|0.302760|0.500000| |17.573150|8.729332|6.549550|5.402576|6.649290|6.159756|3.563182|5.956393|2.872109|0.072840|2.794157|2.478838|2.417494|2.667411|5.260997|2.614550|3.480446|2.163473|2.056884|1.793602|1.664654|1.716688|1.940535|3.525489|1.769906|1.684213|2.684587|5.599379|2.329007|2.303201|1.988048|2.517083|13.954711|1.852351|3.435905|2.243008|3.432545|0.301504|0.302708|0.500000| |8.908790|17.497871|8.871278|5.505166|6.931056|10.065305|4.944576|7.272056|4.015124|0.096091|4.160888|3.514128|3.488179|4.101968|8.432803|3.960766|4.600271|2.717950|2.466995|2.100247|1.968413|2.085427|2.437283|4.557262|2.244718|1.904893|3.549449|7.868830|2.880659|2.782886|2.302657|2.896753|16.482671|2.084358|3.839108|2.483966|4.197431|0.173098|0.216542|0.210865|0.500000| |8.888014|17.519831|8.884770|6.913108|5.503567|10.194413|4.954455|7.328132|4.021574|0.101705|4.219671|3.782684|3.658152|3.973307|7.796441|3.613594|4.354845|2.653431|2.463744|2.117775|1.973968|2.064275|2.375741|4.347977|2.151238|1.941849|3.135952|6.478387|2.550638|2.391925|2.030151|2.622990|15.192450|1.830413|3.311806|2.223837|3.453939|0.210917|0.215450|0.172876|0.303350|0.500000| |6.700178|6.735891|8.790339|17.570280|6.916381|7.624160|4.660577|8.513920|3.433148|0.091927|3.094923|2.763459|2.508233|2.610948|5.274955|2.373294|3.972101|2.500976|2.487394|2.144925|1.922642|1.924957|2.158637|3.754142|1.845950|2.056840|2.864188|5.637931|2.431463|2.276312|1.986558|2.607076|15.049178|1.798261|3.223781|2.210185|3.188160|0.228211|0.137394|0.170245|0.138776|0.165628|0.500000| |4.605849|5.483565|8.804873|17.636043|6.839372|9.593437|6.725332|13.867007|4.470025|0.122900|3.697311|3.217454|2.768860|2.835994|5.936107|2.476819|5.011662|3.118895|3.173546|2.652724|2.307193|2.280396|2.582936|4.371804|2.096192|2.535361|3.463977|6.608575|2.856879|2.571558|2.226544|2.969814|17.735619|1.963477|3.456311|2.410662|3.488280|0.136724|0.102986|0.120009|0.123589|0.142567|0.301955|0.500000| |5.645118|6.979946|8.793080|17.544254|5.487817|9.571792|5.610167|9.458880|4.150975|0.114300|3.816185|3.470600|3.056733|3.087197|6.218795|2.691137|4.452802|2.797959|2.758786|2.363231|2.121877|2.135393|2.410290|4.182758|2.041939|2.233493|3.050450|5.910263|2.508993|2.285785|1.981982|2.629739|15.549474|1.768574|3.137871|2.178790|3.157192|0.177284|0.126957|0.130672|0.142482|0.211062|0.300725|0.300883|0.500000| |5.557222|6.929627|8.785543|5.488154|17.555302|9.516276|5.703834|9.337849|4.216206|0.099011|3.774910|3.048608|2.855517|3.282011|7.205193|3.098528|5.309894|3.044369|2.806945|2.329945|2.127442|2.220239|2.614896|4.758245|2.284219|2.122165|4.472231|10.481368|3.672182|3.622806|2.907547|3.577008|20.166148|2.596396|4.807828|3.017477|5.551277|0.128557|0.125768|0.173297|0.210677|0.142354|0.141094|0.139993|0.122908|0.500000| |4.590013|5.476720|8.806239|6.860184|17.627776|9.523546|6.779990|13.537499|4.498633|0.110280|3.662903|2.988243|2.668764|2.917422|6.385320|2.645098|5.674260|3.305962|3.206194|2.616658|2.305557|2.335509|2.720911|4.728345|2.239357|2.429335|4.513329|9.444137|3.729346|3.489666|2.887090|3.685730|21.418204|2.528458|4.534587|2.994427|4.915669|0.119179|0.102824|0.136407|0.142497|0.123674|0.170517|0.203455|0.140039|0.301594|0.500000| |6.653813|6.731512|8.770630|6.887707|17.563096|7.590931|4.675853|8.421408|3.446801|0.086380|3.077947|2.619317|2.437503|2.676676|5.583688|2.521012|4.272277|2.592454|2.501762|2.125415|1.921594|1.957442|2.236231|3.970276|1.940688|1.998986|3.365180|7.072983|2.892301|2.825568|2.402021|3.040112|17.055492|2.190744|4.021181|2.622436|4.139442|0.167008|0.137181|0.228331|0.166987|0.138447|0.207412|0.169139|0.140923|0.300443|0.301689|0.500000| |4.857702|7.931667|9.060671|5.814603|6.318364|26.061092|9.633626|10.980720|7.482602|0.159474|7.765742|5.532727|4.923231|5.821777|14.743943|4.691078|7.205222|3.891085|3.381551|2.743998|2.539793|2.729971|3.342051|6.222268|2.894865|2.399019|5.170377|11.560722|3.725319|3.328565|2.669472|3.426282|20.658673|2.303799|4.113544|2.735943|4.760416|0.117990|0.119166|0.121180|0.237251|0.216507|0.127429|0.144364|0.156020|0.179902|0.154178|0.134058|0.500000| |2.498444|3.089988|3.302636|3.124618|2.780588|5.880318|4.678851|6.925214|6.467890|0.205536|8.839718|17.789560|8.442740|5.844361|10.471608|4.035144|6.604924|4.678883|4.050178|3.548534|3.513268|3.900118|4.567299|8.131688|3.903974|2.956663|3.787855|6.427925|3.041931|2.577924|2.241432|3.089277|19.518250|1.924102|3.295140|2.396629|3.363228|0.067163|0.066144|0.063628|0.085452|0.094691|0.073933|0.087367|0.093824|0.076161|0.077313|0.067696|0.126793|0.500000| |2.407325|2.908598|2.820026|2.558055|2.428075|4.690238|3.333112|4.972486|4.040382|0.108462|5.837630|8.438462|17.794338|8.831969|10.466044|6.324314|4.665532|3.187326|2.731049|2.477191|2.550961|2.912546|3.335309|6.715819|3.625944|2.130723|3.069043|5.544627|2.578850|2.325283|2.028516|2.714717|16.190171|1.796884|3.145381|2.232838|3.175718|0.063131|0.066683|0.061139|0.084560|0.090019|0.062998|0.068287|0.076077|0.069100|0.064909|0.060438|0.109532|0.193005|0.500000| |2.582429|3.106246|2.936966|2.449116|2.739471|4.739651|3.270085|4.871908|3.730392|0.089257|4.837006|4.485622|5.792340|8.937758|12.484026|17.558028|4.851198|3.067476|2.530447|2.233747|2.284005|2.655120|3.183526|7.009437|3.779052|1.914402|3.731057|7.344992|3.204623|3.105335|2.589385|3.260705|18.478290|2.323451|4.206648|2.779751|4.601196|0.064258|0.072206|0.068460|0.099953|0.088088|0.061684|0.064752|0.068235|0.084360|0.071752|0.067611|0.116934|0.100303|0.141030|0.500000| |3.196811|3.940194|3.453685|2.812714|3.086812|5.465270|3.482300|5.094869|3.714882|0.089178|4.821506|4.482392|5.798255|8.925715|12.428010|17.551379|4.500944|2.789140|2.376043|2.084799|2.078787|2.337296|2.761338|5.695573|2.973597|1.822861|3.407469|6.999671|2.849342|2.755318|2.302202|2.906019|16.494537|2.084776|3.808175|2.502754|4.126344|0.077734|0.091623|0.082409|0.131779|0.114739|0.070811|0.071935|0.079387|0.094825|0.077863|0.076459|0.141115|0.100261|0.141394|0.301970|0.500000| |2.537190|3.013663|2.760679|2.376477|2.479271|4.380250|2.961698|4.442237|3.332263|0.083393|4.425303|4.620612|6.839741|8.982541|10.207576|17.594744|4.115725|2.688620|2.289767|2.059203|2.106829|2.405223|2.785851|5.854887|3.227577|1.792675|2.996573|5.758345|2.581544|2.462662|2.119323|2.731312|15.572392|1.922680|3.459845|2.351123|3.555714|0.064032|0.072441|0.065591|0.094045|0.089538|0.060048|0.062119|0.068191|0.073907|0.064494|0.062236|0.106702|0.105041|0.189721|0.300372|0.300697|0.500000| |2.250250|2.648991|3.255681|3.197808|3.191272|5.329481|5.406290|11.319137|6.088860|0.194286|4.251400|3.678539|2.932421|2.891384|6.170349|2.425740|10.005612|9.043269|17.698766|8.853367|5.673032|4.968848|5.653529|7.632446|3.337281|6.951398|5.456307|7.714084|4.832225|3.637827|3.273354|4.920150|36.255939|2.619682|4.247991|3.283823|4.203793|0.061310|0.056746|0.061236|0.072114|0.072389|0.077149|0.102397|0.084761|0.084791|0.102029|0.076935|0.098626|0.105216|0.071622|0.067096|0.064708|0.061024|0.500000| |1.562301|1.770435|1.971431|1.929147|1.914313|3.091085|2.659328|4.802380|3.171620|0.096681|2.888081|2.869447|2.472984|2.332538|4.473060|2.028998|4.937982|4.975243|5.683442|8.939979|17.703501|8.969743|5.658512|7.470034|3.921113|6.957212|3.085085|4.620375|3.128860|2.608011|2.585815|4.066815|26.969539|2.184559|3.487115|2.918609|3.058809|0.042545|0.041026|0.042358|0.049300|0.049655|0.048677|0.057551|0.053382|0.052811|0.056987|0.048337|0.061928|0.085275|0.064364|0.057191|0.052257|0.053450|0.124162|0.500000| |1.641131|1.885450|2.057687|1.943973|1.987783|3.302236|2.792211|4.778136|3.527068|0.101932|3.442749|3.446818|3.050506|2.889155|5.453328|2.499923|5.655371|5.641002|4.973605|5.630520|8.948427|17.764266|8.897857|12.514483|7.456152|4.087042|3.573145|5.297418|3.611682|2.996029|2.899562|4.445298|29.420461|2.418258|3.872757|3.167895|3.522125|0.043985|0.043504|0.044370|0.053661|0.053043|0.048799|0.056667|0.053912|0.056155|0.058071|0.049683|0.068480|0.098597|0.078958|0.072002|0.062425|0.065745|0.107858|0.218419|0.500000| |1.756873|2.043440|2.161536|1.988559|2.051051|3.525934|2.861522|4.640120|3.712007|0.101829|4.113323|4.306478|4.112044|3.860369|6.846436|3.317086|5.601746|4.752895|3.790282|3.716268|4.568692|6.714708|7.043754|16.447407|17.564083|2.903585|3.648725|5.678050|3.479221|2.989450|2.756577|3.940067|24.609908|2.342729|3.872545|2.986104|3.698674|0.046470|0.047201|0.047082|0.059322|0.058161|0.049760|0.056454|0.055715|0.058984|0.058313|0.051025|0.076226|0.116227|0.107237|0.097199|0.078742|0.088174|0.088310|0.113188|0.223645|0.500000| |1.688566|1.944236|2.075890|1.895146|2.034401|3.328453|2.723275|4.517122|3.406343|0.090849|3.525600|3.406459|3.252094|3.274901|6.097717|2.955170|5.569251|4.757092|3.794136|3.722772|4.579698|6.729422|7.041744|16.446018|17.567364|2.909498|3.898966|5.898753|4.091412|3.554441|3.397658|4.968866|30.575469|2.837312|4.566530|3.639863|4.230113|0.044487|0.045178|0.045944|0.056825|0.054192|0.047842|0.054139|0.052106|0.059162|0.058462|0.050712|0.071254|0.090314|0.083534|0.089753|0.072148|0.076965|0.088345|0.113484|0.224300|0.298649|0.500000| |1.858651|2.170101|2.267156|2.024731|2.186848|3.693808|2.933195|4.674932|3.729527|0.095768|4.228725|4.110669|4.197219|4.372150|7.795612|3.968441|5.773814|4.411175|3.411181|3.168307|3.617599|4.903838|5.893844|17.019654|17.655752|2.534516|4.112191|6.550955|3.982525|3.544422|3.179432|4.354171|26.142074|2.698878|4.511045|3.354826|4.480490|0.048410|0.050150|0.050189|0.064548|0.060944|0.050858|0.056805|0.056027|0.064468|0.061550|0.054151|0.081813|0.103000|0.106403|0.125181|0.092223|0.102428|0.082359|0.089189|0.145825|0.299945|0.299877|0.500000| 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|1.574623|1.763630|2.003712|2.027820|1.957498|3.065083|2.662507|5.072994|2.970564|0.092817|2.582044|2.522663|2.153733|2.046681|3.978990|1.789845|4.451759|4.163356|5.570266|8.844220|7.209323|4.726795|3.941720|5.492944|2.778324|17.574658|2.807347|4.296490|2.810564|2.373370|2.355887|3.673939|23.826548|2.017794|3.246686|2.701958|2.812608|0.043500|0.040917|0.042831|0.048181|0.049203|0.051458|0.062009|0.055790|0.052778|0.059330|0.049903|0.059586|0.075519|0.055934|0.049778|0.047183|0.047001|0.139752|0.220532|0.113070|0.078225|0.078152|0.067103|0.301918|0.500000| |1.786798|2.018782|2.351166|2.433514|2.268323|3.615940|3.230540|6.384487|3.521714|0.114952|2.923291|2.818130|2.336329|2.214309|4.384462|1.906181|5.080983|4.604739|6.767622|8.830981|5.816240|4.258724|3.943449|5.517168|2.684729|17.550005|3.098141|4.769806|2.960655|2.464279|2.369610|3.604800|23.733606|2.015468|3.283497|2.642908|2.949645|0.049735|0.045898|0.048361|0.054341|0.056396|0.060941|0.076326|0.066948|0.059963|0.069695|0.057429|0.068600|0.085319|0.059892|0.052346|0.050699|0.049650|0.192659|0.149674|0.098860|0.075091|0.073095|0.065912|0.302355|0.301848|0.500000| |1.544283|1.685949|1.842181|1.690198|2.008431|2.690034|2.165452|3.925371|2.262345|0.059032|2.078665|1.867760|1.774314|1.895044|3.737167|1.834649|3.699730|2.754297|2.620962|2.490035|2.483375|2.592386|2.734789|4.843383|2.567218|2.272365|3.107904|5.029448|4.092909|4.770332|7.497079|11.086136|34.419934|9.339612|10.829354|26.095561|5.365316|0.040733|0.040670|0.044230|0.049047|0.044467|0.044505|0.049032|0.044163|0.059153|0.059782|0.051875|0.054826|0.049597|0.045503|0.055014|0.049503|0.046948|0.070451|0.064557|0.069074|0.062997|0.077716|0.069414|0.067514|0.059589|0.057403|0.500000| 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