Version2.0 2020-01-09T21:03:10Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 14-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@H](C)N(CC(=O)N1CCc2c(ccs2)[C@@H]1COc3ccccc3F)S(=O)(=O)c4ccc(cc4)C C36124243 RHF 6-31G(d) (6D,7F) CC[C@H](C)N(CC(=O)N1CCc2c(ccs2)[C@@H]1COc3ccccc3F)S(=O)(=O)c4ccc(cc4)C C01[X(C27H31F1N2O4S2)] 195 C1 610 CC[C@@H](N(S(=O)(=O)c1ccc(cc1)C)CC(=O)N1CCc2c([C@@H]1COc1ccccc1F)ccs2)C CC[C@@H](N(S(=O)(=O)c1ccc(cc1)C)CC(=O)N1CCc2c([C@@H]1COc1ccccc1F)ccs2)C CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc3ccccc3F)[S](=O)(=O)c4ccc(C)cc4 InChIKey=CPWOILKYMQBMPD-RDPSFJRHSA-N InChI=1S/C27H31FN2O4S2/c1-4-20(3)30(36(32,33)21-11-9-19(2)10-12-21)17-27(31)29-15-13-26-22(14-16-35-26)24(29)18-34-25-8-6-5-7-23(25)28/h5-12,14,16,20,24H,4,13,15,17-18H2,1-3H3/t20-,24-/m0/s1 InChI=1/C27H31FN2O4S2/c1-4-20(3)30(36(32,33)21-11-9-19(2)10-12-21)17-27(31)29-15-13-26-22(14-16-35-26)24(29)18-34-25-8-6-5-7-23(25)28/h5-12,14,16,20,24H,4,13,15,17-18H2,1-3H3/t20-,24-/m0/s1 CC[C@H](C)N(CC(=O)N1CCc2c(ccs2)[C@@H]1COc3ccccc3F)S(=O)(=O)c4ccc(cc4)C C01[X(C27H31F1N2O4S2)] 195 C01 610 CC[C@@H](N(S(=O)(=O)c1ccc(cc1)C)CC(=O)N1CCc2c([C@@H]1COc1ccccc1F)ccs2)C CC[C@@H](N([S@@](=O)(c1ccc(cc1)C)O)CC(=O)N1CCc2c([C@@H]1COc1ccccc1F)ccs2)C CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc3ccccc3F)[S](O)(=O)c4ccc(C)cc4 InChIKey=BGVSGVYGMCKADB-PXLVCEOPSA-N InChI=1S/C27H43FN4O4/c1-18(2)26(34)31(15-23-5-4-14-36-23)17-25(33)30-27-29-24(19-6-12-22(35-3)13-7-19)16-32(27)21-10-8-20(28)9-11-21/h4-5,14,18-22,24,27,29H,6-13,15-17H2,1-3H3,(H,30,33)/t19-,20-,21-,22-,24-,27-/m0/s1 InChI=1/C27H43FN4O4/c1-18(2)26(34)31(15-23-5-4-14-36-23)17-25(33)30-27-29-24(19-6-12-22(35-3)13-7-19)16-32(27)21-10-8-20(28)9-11-21/h4-5,14,18-22,24,27,29H,6-13,15-17H2,1-3H3,(H,30,33)/t19-,20-,21-,22-,24-,27-/m0/s1/f/h30H 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3229.3755 3244.3022 3259.2686 3261.9408 3267.2585 3276.5264 3278.6852 3285.6026 3288.4737 3289.1512 3289.8952 3291.5923 3326.8627 3342.6258 3349.1180 3361.3598 3369.4459 3369.8691 3385.9947 3390.0447 3399.5176 3403.0119 3409.4591 3414.8065 3442.8329 6.5056 5.3012 6.3715 4.9085 5.3482 1.1193 6.1058 3.5387 3.8404 4.7804 4.4980 4.9196 5.2585 6.3548 3.1959 5.3566 5.3498 4.2304 3.6426 4.6319 3.9242 2.7365 5.4562 4.1138 1.5162 2.9522 1.2173 2.8253 4.4192 4.5044 3.8036 6.0656 5.9441 3.2854 3.7074 4.2176 2.6981 4.3413 3.9570 3.5007 3.3934 3.2250 3.8160 3.2249 3.9932 4.5759 4.9605 3.8729 3.7106 4.2511 5.8418 5.6089 4.5308 4.9829 3.9313 4.7730 5.1370 4.0553 4.0764 6.5803 4.1410 4.9846 4.1664 4.7766 3.2737 2.5299 2.0790 2.5558 1.2432 2.3018 2.5035 2.8900 5.7181 4.4748 2.3950 1.4126 4.3628 1.2474 1.4255 2.3219 3.5767 2.6232 1.3290 1.9289 1.3725 1.7370 2.4171 1.5627 1.4340 1.3562 1.2908 2.6267 1.4159 2.7947 2.5041 2.1849 2.2290 2.2667 1.5536 2.5912 2.6207 2.1025 2.2410 1.5759 2.0795 2.4265 2.0408 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4667.83 4689.36 4693.21 4700.86 4714.19 4717.30 4727.25 4731.38 4732.36 4733.43 4735.87 4786.61 4809.29 4818.63 4836.25 4847.88 4848.49 4871.69 4877.52 4891.15 4896.18 4905.45 4913.14 4953.47 0.584696 0.617260 0.618205 0.514508 -2342.630362 -2342.597799 -2342.596854 -2342.700551 3.478014D-04 MUNgauss RevisionA2.0 retrievium 09-Jan-2020 DUDE CC[C@H](C)N(CC(=O)N1CCc2c(ccs2)[C@@H]1COc3ccccc3F)S(=O)(=O)c4ccc(cc4)C C36124243 RHF 6-31G(d) (6D,10F) C1 530.170930 |X|Y|Z| 74.385737 125.598019 42.223737 73.340361 27 6 7 8 16 22 2 1 2 |36.858105| |12.475464|36.858105| |7.368107|12.406359|36.858105| |6.829899|8.989834|17.610594|0.500000| |4.856248|7.524796|12.464894|0.249194|36.858105| |6.312389|7.627773|12.881144|0.258187|7.585927|53.358707| |5.260218|6.122258|7.456389|0.155761|5.962812|17.900111|36.858105| |3.775982|4.479687|5.544153|0.123594|5.555522|10.342882|12.430017|36.858105| |3.424745|4.138093|5.484677|0.127144|6.123177|9.401247|8.005763|15.869967|73.516695| |3.201843|3.642929|4.091318|0.095025|4.149549|6.932455|7.698902|14.016825|15.130210|53.358707| |3.171547|3.428989|3.574211|0.084317|3.442545|5.937982|6.510985|7.592336|9.410140|17.742478|36.858105| |2.816533|3.073181|3.074834|0.073230|3.075922|4.717400|4.667016|5.283237|7.392369|10.547144|12.469361|36.858105| |2.395922|2.644001|2.724709|0.066062|2.838049|4.105463|3.837052|4.703931|7.144099|9.367940|7.752710|12.706637|36.858105| |2.328458|2.600104|2.787398|0.067973|2.971412|4.244180|3.903172|5.229864|8.366607|10.612998|6.818925|7.584443|14.178672|36.858105| |1.995459|2.212922|2.363665|0.058882|2.551879|3.502478|3.048740|3.875081|6.642839|6.788942|4.519108|5.071297|8.221150|13.205021|36.858105| |1.861589|2.043162|2.127774|0.053261|2.275014|3.102467|2.674283|3.216442|5.428134|5.474456|3.961135|4.817336|7.700174|8.217958|14.200135|36.858105| |2.015870|2.194840|2.221898|0.055035|2.326605|3.241935|2.861946|3.312160|5.323638|5.772034|4.645906|6.662529|10.988459|7.451360|7.462696|11.019827|388.023441| |2.604596|2.947089|3.317924|0.080105|3.542620|5.284873|4.998620|7.932476|12.716851|17.706205|7.620484|6.331394|7.587633|12.614140|7.294806|5.077268|33.694350|36.858105| |2.591968|3.011892|3.474549|0.083865|3.920404|5.344301|4.779739|7.690719|14.790481|12.624860|5.707086|5.083263|5.973059|9.000554|6.636796|4.674962|29.761630|17.628717|0.500000| |2.350286|2.575679|2.932879|0.073342|3.042422|4.761735|4.247290|6.059188|10.578855|10.477644|5.725916|4.615371|5.274238|7.500520|5.925181|4.292694|27.300668|12.469158|0.251987|36.858105| |2.271583|2.413468|2.665582|0.067151|2.662284|4.361684|3.940605|5.031386|8.095583|8.960256|6.103597|4.806923|5.265213|6.524185|5.209637|4.119093|27.741399|8.004086|0.161234|13.570305|73.516695| |2.071221|2.156714|2.377656|0.061269|2.343651|3.866335|3.327171|3.960203|6.624729|6.311993|4.469089|3.672073|3.896184|4.523840|4.008426|3.356416|22.504094|5.208766|0.118812|7.993617|25.194487|36.858105| |1.919991|2.003952|2.238950|0.058671|2.229959|3.589527|2.953036|3.491750|6.186103|5.202879|3.516479|2.982572|3.189892|3.748634|3.516084|2.950331|19.164501|4.362586|0.107522|6.641600|13.945657|13.774109|36.858105| |1.747846|1.796234|1.984659|0.052758|1.956705|3.140202|2.520213|2.844516|5.036629|4.131258|2.890838|2.510438|2.635526|2.972244|2.847925|2.490634|16.427476|3.316289|0.083868|4.475304|9.218925|7.919218|13.684557|36.858105| |1.700560|1.721712|1.869644|0.049727|1.817884|2.952852|2.381899|2.606257|4.497373|3.818527|2.794346|2.445849|2.518362|2.739490|2.605343|2.345666|15.912442|2.963148|0.074025|3.770539|8.195628|6.822549|7.910478|13.822608|36.858105| |1.803532|1.816010|1.948283|0.051281|1.877714|3.101894|2.566561|2.785069|4.657145|4.199520|3.209120|2.786963|2.826361|3.002471|2.787344|2.534773|17.679189|3.191060|0.077402|3.974139|9.410117|7.880487|6.867488|7.965333|13.692945|36.858105| |1.991966|2.028653|2.184466|0.056608|2.112464|3.528274|3.022664|3.376514|5.512303|5.324971|4.124688|3.468301|3.533495|3.797089|3.395015|3.016429|21.171787|4.077155|0.094616|5.257147|14.589253|13.680381|8.002284|6.954298|7.996038|13.914283|36.858105| |2.086662|2.109580|2.223314|0.057022|2.130375|3.584141|3.152829|3.433780|5.396715|5.605429|4.774628|4.044788|3.958771|3.990221|3.454083|3.164892|23.520127|4.086256|0.092902|4.753907|12.961726|8.146839|5.308182|4.679375|5.292528|8.161083|14.304030|97.533100| |4.616831|4.886062|7.098860|0.202008|5.359602|15.766681|7.188621|5.788856|10.587938|5.730550|3.620225|2.889510|2.618960|2.778137|2.360649|2.079476|15.054099|3.482238|0.097758|3.418469|5.591681|2.918337|2.808866|2.493095|2.319005|2.379866|2.648497|5.847823|388.023441| |3.785003|3.884272|4.983854|0.132961|4.167342|10.549078|7.015622|6.230993|10.787064|6.458781|4.096372|3.115168|2.831417|3.040903|2.552393|2.222540|16.023198|3.911771|0.105231|4.075098|6.837515|3.623808|3.454904|3.022491|2.797911|2.886509|3.255208|7.061357|94.550400|73.516695| |3.883165|4.322274|6.446779|0.203283|5.662158|10.278589|5.203815|4.837083|9.958091|4.938724|3.053561|2.546722|2.388876|2.578169|2.251951|1.979166|14.023861|3.202870|0.093789|3.163706|5.014550|2.639051|2.624257|2.343833|2.144628|2.152507|2.362928|5.134851|94.765843|13.568536|73.516695| |5.017397|4.563687|5.609388|0.179368|4.092600|9.563027|5.012219|3.939499|6.875791|4.333094|2.958807|2.450565|2.200581|2.268997|1.968473|1.779230|13.052014|2.692417|0.074402|2.661924|4.550632|2.446633|2.360082|2.175401|2.081052|2.140317|2.314752|5.176014|76.385531|13.075004|13.181519|36.858105| |4.832101|4.055336|4.467622|0.131844|3.372974|7.647541|4.651107|3.607655|6.010306|4.166295|2.987607|2.463570|2.176602|2.205514|1.908755|1.743011|12.963035|2.568467|0.069210|2.558141|4.531739|2.466135|2.341068|2.186082|2.140070|2.235620|2.401470|5.451521|49.421878|11.333244|8.823903|13.699777|36.858105| |4.286786|3.476370|3.614104|0.108523|2.834980|5.612734|3.551162|2.876074|4.843663|3.437972|2.510404|2.140475|1.905469|1.913879|1.683726|1.557772|11.606727|2.172522|0.058712|2.165968|3.869145|2.131176|2.038452|1.940340|1.922890|2.001277|2.109042|4.804528|33.664094|7.814268|6.840763|7.961343|13.823559|36.858105| |3.968617|3.283569|3.417294|0.107235|2.732258|4.958350|3.059568|2.551194|4.410096|3.044815|2.189975|1.908112|1.723755|1.739373|1.549942|1.438167|10.633148|1.961702|0.053823|1.949656|3.433052|1.891387|1.835045|1.754264|1.725530|1.772821|1.856070|4.195198|29.722560|6.558054|6.581461|6.842030|7.889654|13.648069|36.858105| |4.068943|3.537459|3.859100|0.128657|3.077930|5.397386|3.163563|2.666952|4.730822|3.114575|2.182775|1.904934|1.738176|1.772901|1.583763|1.460234|10.695493|2.019196|0.056262|1.998817|3.448909|1.886922|1.848499|1.752773|1.697959|1.727994|1.819250|4.074326|33.596829|6.879897|7.934387|7.959118|6.882845|7.968262|13.745163|36.858105| |4.526576|4.158024|4.970965|0.174815|3.815713|7.143326|3.870890|3.221904|5.808176|3.627284|2.475303|2.122184|1.937060|1.998027|1.767497|1.610029|11.730715|2.326652|0.065352|2.295961|3.894774|2.108108|2.065994|1.928062|1.841975|1.871951|1.996988|4.446018|49.419760|8.945736|11.734277|13.787596|7.923390|6.882010|7.887975|13.720356|36.858105| |3.256060|2.721558|2.743683|0.084315|2.280427|3.879107|2.492524|2.132967|3.689117|2.607973|1.899230|1.688159|1.534536|1.539236|1.387190|1.299752|9.620508|1.705855|0.046754|1.698026|3.012265|1.671423|1.626306|1.573442|1.561706|1.602175|1.657966|3.758099|22.325950|5.109445|5.118338|4.436142|5.021825|7.561590|12.615329|7.543686|5.005893|36.858105| |17.553221|8.777544|6.727333|0.203311|4.501788|7.808455|4.495450|3.377175|5.635295|3.887111|2.787218|2.472330|2.152560|2.121401|1.843431|1.716591|13.027914|2.382441|0.066305|2.198173|3.770357|1.963840|1.846429|1.696688|1.648603|1.731029|1.889000|4.397301|33.438299|6.633068|7.224355|5.685359|5.297918|4.896732|4.789147|5.063731|5.512951|3.822233|0.500000| |17.547700|8.819823|5.424422|0.141068|4.063508|6.432670|4.285302|3.256651|5.254324|3.915289|2.922055|2.684346|2.279487|2.181508|1.887068|1.785505|13.895005|2.379247|0.065538|2.141648|3.713970|1.909992|1.767064|1.618735|1.586066|1.687540|1.855175|4.408253|26.033311|5.593665|5.662751|3.961344|3.961535|3.715567|3.498419|3.496024|3.697387|3.023317|0.301669|0.500000| |17.576697|8.751479|6.576995|0.164263|4.423953|9.369889|6.120704|4.114758|6.387820|4.773994|3.568949|3.066880|2.553467|2.467699|2.086922|1.940768|15.056028|2.780595|0.075274|2.526403|4.413602|2.263173|2.072416|1.883222|1.844139|1.975592|2.194467|5.219001|35.667342|7.625028|6.992581|5.499878|5.748035|4.865400|4.169316|4.075469|4.551040|3.358794|0.302454|0.301771|0.500000| |8.839206|17.523121|8.790734|0.174753|6.898681|9.147305|6.510394|4.832659|7.591273|5.518102|3.889487|3.566458|2.988434|2.875456|2.410640|2.237976|17.438210|3.207636|0.090374|2.712970|4.528446|2.236513|2.048313|1.821460|1.749805|1.863171|2.104590|4.990013|30.595132|6.499188|6.724271|3.863021|3.578854|3.081005|2.857316|2.997406|3.452054|2.421597|0.172765|0.212875|0.209758|0.500000| |8.881987|17.533270|8.994726|0.220088|7.089770|7.626817|4.632241|3.730328|6.379997|4.253014|2.933457|2.715858|2.395227|2.362491|2.053651|1.911665|14.489870|2.630680|0.075752|2.313584|3.837303|1.944312|1.826564|1.648882|1.578733|1.653052|1.829858|4.258041|28.976280|5.829990|6.874355|3.907701|3.455215|3.085610|3.029606|3.319319|3.798472|2.576716|0.210373|0.215250|0.173008|0.306200|0.500000| |4.563606|6.918713|8.866345|0.217748|17.538615|7.555742|4.537388|4.241560|8.163116|4.629776|2.930869|2.707382|2.523180|2.612203|2.299762|2.085404|15.161380|3.002518|0.091864|2.615984|4.125169|2.070482|1.984860|1.764943|1.648337|1.696170|1.886341|4.284361|30.711414|6.103450|8.344987|3.604992|3.012566|2.621589|2.592044|2.942060|3.539502|2.203310|0.120636|0.110292|0.110552|0.171978|0.215357|0.500000| |4.024931|5.486142|8.815508|0.213710|17.649498|9.495321|5.492558|5.635374|12.500051|5.629313|3.315004|2.922043|2.774533|2.996687|2.603228|2.282661|16.187080|3.674458|0.116079|3.240486|4.916006|2.449394|2.372509|2.071134|1.896988|1.935215|2.171957|4.841207|40.892016|7.929097|12.156902|4.114977|3.312906|2.766168|2.677756|3.055417|3.859533|2.229693|0.107681|0.094552|0.105687|0.140811|0.143878|0.299816|0.500000| |4.485813|6.813174|8.758830|0.174056|17.560346|9.114338|6.325907|6.334588|11.884406|6.559546|3.915515|3.572684|3.286310|3.421435|2.883840|2.562721|18.809888|4.055016|0.126430|3.298622|5.081573|2.457138|2.302184|1.997184|1.856698|1.934974|2.204935|5.054713|32.938302|6.941501|8.202578|3.564153|3.080140|2.603440|2.467282|2.698735|3.247266|2.091071|0.110561|0.108140|0.116960|0.204760|0.173578|0.301746|0.301934|0.500000| |4.881429|5.024928|5.643341|0.130094|4.515762|12.517307|17.654522|8.897957|10.981346|9.511817|6.838476|4.613517|3.717658|3.720954|2.920457|2.586034|19.865928|4.654875|0.117591|4.211890|7.409979|3.590128|3.118743|2.682662|2.579785|2.830037|3.350936|7.988549|48.122034|13.750530|8.308158|5.161219|5.234605|3.896241|3.210419|3.202258|3.831543|2.608341|0.118264|0.112825|0.169299|0.145134|0.108961|0.101640|0.119123|0.129431|0.500000| |5.887273|7.178650|7.255818|0.146535|5.916402|12.633615|17.623164|8.870938|11.056629|9.391150|6.546426|5.098375|3.978671|3.846021|3.005808|2.701401|21.232726|4.588627|0.122225|3.741830|6.276822|2.974976|2.627218|2.268836|2.170734|2.355741|2.758952|6.627244|38.211556|8.998685|7.544411|4.260749|4.071520|3.272252|2.861538|2.930167|3.464367|2.381739|0.130032|0.136975|0.187614|0.246466|0.145563|0.129568|0.139858|0.186927|0.304372|0.500000| |2.831508|2.968721|3.117779|0.075793|2.978128|5.205861|5.306516|6.057776|8.166870|12.430353|17.624714|8.868912|6.829022|6.314625|4.415082|3.880368|31.539370|6.893549|0.140454|6.130473|13.739723|5.533609|4.049733|3.297359|3.243754|3.877042|5.278955|14.718624|24.139309|7.135636|5.097813|2.829521|2.912910|2.464461|2.134871|2.105756|2.365346|1.862834|0.070625|0.072767|0.088929|0.090623|0.071490|0.071455|0.081318|0.091142|0.166289|0.140367|0.500000| |3.729943|3.933900|3.967055|0.092405|3.619906|6.744741|7.859043|7.258514|8.864529|12.405366|17.682298|8.896010|5.624217|4.976527|3.621801|3.277186|27.339182|5.590869|0.128620|4.547218|8.537390|3.831259|3.119890|2.645989|2.592547|2.962202|3.666839|9.531264|27.892963|7.746598|5.671421|3.279051|3.380577|2.812304|2.413080|2.379960|2.695495|2.075946|0.088836|0.094912|0.120903|0.125617|0.090768|0.085399|0.094257|0.112773|0.248067|0.235311|0.303329|0.500000| |2.641958|2.789283|2.733314|0.066271|2.679353|4.166749|3.976140|4.219889|6.094115|7.666166|8.879008|17.549686|8.883838|5.748041|4.319975|4.355902|45.010887|4.837986|0.111053|3.917153|7.670234|3.462349|2.801185|2.413549|2.408416|2.793539|3.438179|9.421714|18.561273|5.022538|4.081491|2.286593|2.345507|2.069448|1.838763|1.812571|1.989286|1.644101|0.064714|0.071090|0.080445|0.088860|0.068981|0.066651|0.070656|0.084301|0.113809|0.120324|0.220212|0.209746|0.500000| |3.046030|3.406110|3.305563|0.077473|3.346112|4.886636|4.776230|5.169482|7.316579|9.207252|8.815336|17.521301|8.918924|6.144102|4.445384|4.305026|41.465079|5.422098|0.132142|3.943241|6.941607|3.102198|2.616635|2.235619|2.169323|2.423898|2.924228|7.451495|20.516985|5.327190|4.557022|2.461407|2.449757|2.138281|1.923042|1.931173|2.151682|1.701993|0.073015|0.081506|0.090618|0.113993|0.083842|0.082328|0.085909|0.111003|0.124874|0.155791|0.174038|0.219293|0.302314|0.500000| |1.890719|2.097725|2.274546|0.057306|2.479099|3.358394|2.848147|3.631859|6.517113|6.011206|3.849118|4.049855|5.721773|8.546254|17.735921|8.945040|37.728736|6.529525|0.180466|5.996237|8.817372|3.987053|3.682759|2.966735|2.645625|2.750892|3.285945|7.215893|16.470121|4.451144|4.000455|1.924017|1.849831|1.634151|1.513856|1.556065|1.739793|1.355657|0.049031|0.049463|0.054638|0.062546|0.054437|0.062298|0.071585|0.076693|0.075600|0.076645|0.105916|0.088326|0.097856|0.101406|0.500000| |1.690476|1.844812|1.914590|0.048430|2.048598|2.761355|2.329428|2.741480|4.707142|4.479692|3.243349|3.827538|5.413624|5.676758|8.783966|17.789968|55.258111|4.023368|0.106481|3.594258|6.173093|2.964638|2.679833|2.314417|2.187482|2.334081|2.704444|6.304874|13.316659|3.535628|3.200196|1.622168|1.589493|1.433420|1.331959|1.352667|1.481951|1.211961|0.043601|0.045267|0.048673|0.055676|0.048411|0.052808|0.057248|0.063372|0.062749|0.065311|0.089172|0.076965|0.099530|0.097846|0.204585|0.500000| |2.097355|2.298870|2.597916|0.065884|2.746841|4.070705|3.477349|4.694665|8.658604|7.615724|4.463260|3.936427|4.734943|6.842906|6.482729|4.529789|26.602511|8.850241|0.218875|17.542059|16.521358|6.979378|6.640065|4.514223|3.690377|3.744299|4.713028|9.355942|21.030260|6.067782|5.034964|2.359201|2.258219|1.946101|1.776205|1.827779|2.080328|1.563571|0.054934|0.053581|0.061783|0.066956|0.058366|0.066924|0.081846|0.082322|0.094738|0.087334|0.130859|0.101862|0.095042|0.095624|0.206164|0.107781|0.500000| |2.473055|2.711357|3.190323|0.080519|3.282331|5.324090|4.604697|6.639353|12.555038|9.661759|5.121176|3.991113|4.249504|5.507343|4.534635|3.488496|22.787448|8.892635|0.219649|17.599933|16.509595|7.168922|6.744637|4.600073|3.775814|3.845321|4.856444|9.617437|28.532881|8.837743|6.625996|3.000591|2.831331|2.357262|2.119073|2.192683|2.560694|1.823049|0.064940|0.061690|0.073930|0.077751|0.067318|0.077354|0.099716|0.096336|0.126543|0.107511|0.148639|0.120782|0.095435|0.098447|0.129914|0.083676|0.300169|0.500000| |1.927543|2.041450|2.315424|0.060749|2.350478|3.682432|2.987207|3.636537|6.726184|5.295337|3.401293|2.910043|3.164637|3.844330|3.668938|2.999749|18.974222|4.629913|0.118969|7.337775|12.464680|8.919683|17.761793|8.923099|5.648349|4.952749|5.666946|9.593816|20.613497|6.237458|4.942513|2.383496|2.311700|2.005572|1.825213|1.864251|2.103648|1.611592|0.051629|0.049084|0.057227|0.057783|0.051935|0.057991|0.070594|0.067322|0.085322|0.073435|0.104538|0.083658|0.074453|0.072015|0.110698|0.075840|0.223318|0.220459|0.500000| |1.649247|1.697799|1.883114|0.050529|1.868529|2.942086|2.311445|2.594350|4.692606|3.684464|2.543486|2.239852|2.356695|2.659310|2.593713|2.279973|14.902812|2.961961|0.077090|3.881444|7.440222|5.650626|8.935887|17.725208|8.935273|5.653049|4.994757|8.329768|16.810468|5.001460|4.036470|2.076772|2.066113|1.848828|1.691723|1.701390|1.866772|1.524031|0.044800|0.042454|0.048955|0.047511|0.043617|0.047134|0.055323|0.052583|0.067472|0.057945|0.078542|0.065346|0.059644|0.056275|0.076206|0.059584|0.111810|0.113220|0.216746|0.500000| |1.580059|1.589424|1.716200|0.046013|1.665680|2.679848|2.128415|2.289523|3.973988|3.306191|2.428980|2.159891|2.211745|2.375837|2.285045|2.089819|14.234818|2.540148|0.064509|3.118330|6.505213|4.926962|5.628668|8.917480|17.732953|8.902142|5.676790|9.589569|15.033073|4.457990|3.504857|1.935660|1.998011|1.822124|1.646380|1.614455|1.732943|1.505105|0.042804|0.041118|0.047399|0.044666|0.040725|0.042294|0.048199|0.046993|0.063789|0.054288|0.076907|0.063523|0.059489|0.053891|0.064563|0.054786|0.085622|0.087359|0.124172|0.214499|0.500000| |1.737626|1.730380|1.831029|0.048329|1.752469|2.890762|2.380746|2.520059|4.182645|3.781048|2.966501|2.625244|2.619369|2.704748|2.518400|2.345996|16.707896|2.812776|0.068737|3.335505|7.644319|5.641261|4.951193|5.640421|8.820498|17.735511|9.032772|16.779626|15.650962|4.671562|3.528555|2.025040|2.144499|1.947400|1.722898|1.662602|1.779793|1.572377|0.046347|0.045503|0.052955|0.049337|0.043854|0.044266|0.049741|0.050101|0.073270|0.061518|0.098770|0.077501|0.074672|0.063829|0.068307|0.060473|0.087363|0.089550|0.107553|0.123745|0.212275|0.500000| |4.567446|3.912687|4.256006|0.118249|3.282936|7.747002|5.198066|3.964485|6.361861|4.652154|3.415505|2.735907|2.381627|2.400842|2.050533|1.867995|13.999214|2.809384|0.074112|2.814643|5.095189|2.770424|2.577159|2.391656|2.362507|2.510725|2.726842|6.256496|47.203467|12.738729|8.102653|8.900512|17.745547|8.934483|5.624136|4.959638|5.643956|4.096196|0.129273|0.105921|0.159073|0.099983|0.091055|0.080205|0.089422|0.085791|0.177927|0.123833|0.093842|0.109235|0.072680|0.074452|0.054814|0.047020|0.067930|0.086298|0.069675|0.061859|0.060707|0.066915|0.500000| |3.828573|3.100396|3.129793|0.091249|2.519138|4.843849|3.234905|2.656118|4.417861|3.261027|2.438135|2.093568|1.856400|1.847509|1.629538|1.518795|11.390884|2.068922|0.055353|2.070091|3.762501|2.088524|1.984117|1.906643|1.918136|2.013441|2.104951|4.840687|27.843588|6.830158|5.732905|5.659200|8.967874|17.704210|8.892772|5.657510|4.955735|7.026467|0.116608|0.095923|0.122449|0.078478|0.076869|0.065007|0.068012|0.065561|0.100531|0.084228|0.067290|0.076040|0.057010|0.057770|0.043773|0.038895|0.051771|0.061848|0.053627|0.050260|0.050754|0.055080|0.216113|0.500000| |3.562663|3.181119|3.427382|0.114527|2.843185|4.606222|2.751255|2.379626|4.271251|2.808082|1.964098|1.740809|1.603673|1.637270|1.477619|1.367898|9.975671|1.848056|0.051853|1.828129|3.141581|1.722261|1.699067|1.618931|1.566102|1.584461|1.659181|3.706680|27.806952|5.787642|6.967805|5.664087|4.957017|5.653395|8.922089|17.714972|8.941338|6.980814|0.121982|0.087624|0.096196|0.075403|0.085731|0.077363|0.078713|0.069229|0.076290|0.071797|0.052623|0.058884|0.046078|0.049183|0.040479|0.035387|0.046926|0.055404|0.047800|0.043950|0.041580|0.042414|0.107637|0.124160|0.500000| |4.135318|4.081636|5.121815|0.190531|4.126487|6.887335|3.692808|3.191750|5.956905|3.562679|2.381237|2.062710|1.908729|1.987909|1.771491|1.607734|11.598623|2.322307|0.066369|2.284561|3.805658|2.051285|2.031077|1.887361|1.783042|1.796734|1.919011|4.242501|47.198606|8.301827|13.674058|8.944712|5.644811|4.960113|5.624319|8.887254|17.757320|4.081550|0.136680|0.095041|0.111231|0.093912|0.106985|0.108020|0.119530|0.094673|0.097980|0.092068|0.062830|0.070912|0.053292|0.058352|0.048772|0.041205|0.058023|0.071059|0.058199|0.051137|0.046584|0.047197|0.124254|0.107631|0.215243|0.500000| |2.832733|2.422314|2.468300|0.074731|2.088360|3.552438|2.328768|2.024776|3.505379|2.501105|1.827488|1.623238|1.483428|1.491276|1.349546|1.265110|9.333865|1.649306|0.045016|1.660752|2.967850|1.665204|1.628119|1.591349|1.588584|1.623717|1.663010|3.752035|20.756371|4.910007|4.766513|3.981501|4.594143|6.685272|8.857675|5.923800|4.314666|17.546749|0.089398|0.073408|0.082347|0.060875|0.063510|0.055763|0.057277|0.053672|0.068401|0.061414|0.050333|0.055104|0.044101|0.045095|0.036719|0.032837|0.042597|0.049532|0.044610|0.042919|0.042793|0.044438|0.108163|0.188969|0.153701|0.099996|0.500000| 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