Version2.1 2020-12-26T06:43:19Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 09-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC1CCN(CC1)S(=O)(=O)c2cc(c3c4c2cccc4C(=O)S3)S(=O)(=O)N5CCC(CC5)C C08833762 RHF 6-31G(d) (6D,7F) CC1CCN(CC1)S(=O)(=O)c2cc(c3c4c2cccc4C(=O)S3)S(=O)(=O)N5CCC(CC5)C C01[X(C23H28N2O5S3)] 177 C1 563 CC1CCN(CC1)S(=O)(=O)c1cc(c2c3c1SC(=O)c3ccc2)S(=O)(=O)N1CCC(CC1)C CC1CCN(CC1)S(=O)(=O)c1cc(c2c3c1SC(=O)c3ccc2)S(=O)(=O)N1CCC(CC1)C CC1CCN(CC1)[S](=O)(=O)c2cc(c3cccc4C(=O)Sc2c34)[S](=O)(=O)N5CCC(C)CC5 InChIKey=ZVYHHMDBYBYDQC-UHFFFAOYSA-N InChI=1S/C23H28N2O5S3/c1-15-6-10-24(11-7-15)32(27,28)19-14-20(33(29,30)25-12-8-16(2)9-13-25)22-21-17(19)4-3-5-18(21)23(26)31-22/h3-5,14-16H,6-13H2,1-2H3 InChI=1/C23H28N2O5S3/c1-15-6-10-24(11-7-15)32(27,28)19-14-20(33(29,30)25-12-8-16(2)9-13-25)22-21-17(19)4-3-5-18(21)23(26)31-22/h3-5,14-16H,6-13H2,1-2H3 CC1CCN(CC1)S(=O)(=O)c2cc(c3c4c2cccc4C(=O)S3)S(=O)(=O)N5CCC(CC5)C C01[X(C23H28N2O5S3)] 177 C01 563 CC1CCN(CC1)S(=O)(=O)c1cc(c2c3c1SC(=O)c3ccc2)S(=O)(=O)N1CCC(CC1)C C[C@@H]1CCN(CC1)S(=O)(=O)[C]1[CH][C]([C]2[C]3[C]1SC(=O)[C]3[CH][CH][CH]2)[S@@]([O])(=O)N1CC[C@H](CC1)C C[C@@H]1CCN(CC1)[S]([O])(=O)[C]2[CH][C]([C]3SC(=O)[C]4[CH][CH][CH][C]2[C]34)[S](=O)(=O)N5CC[C@@H](C)CC5 InChIKey=ZVYHHMDBYBYDQC-UHFFFAOYSA-N InChI=1S/C23H28N2O5S3/c1-15-6-10-24(11-7-15)32(27,28)19-14-20(33(29,30)25-12-8-16(2)9-13-25)22-21-17(19)4-3-5-18(21)23(26)31-22/h3-5,14-16H,6-13H2,1-2H3 InChI=1/C23H28N2O5S3/c1-15-6-10-24(11-7-15)32(27,28)19-14-20(33(29,30)25-12-8-16(2)9-13-25)22-21-17(19)4-3-5-18(21)23(26)31-22/h3-5,14-16H,6-13H2,1-2H3 4344.3635211200 -2562.8990471 1-A 17322.1153 134 429 563 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.21865 -92.21625 -91.98742 -20.58895 -20.56345 -20.56166 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 13422.6837 20011.5655 27997.5414 0.99978 0.00534 -0.02048 -0.00549 0.99996 -0.00735 0.02044 0.00746 0.99976 1 0.00645 0.00433 0.00309 0.13445 0.09018 0.06446 17.25 20.21 36.74 41.41 61.09 66.49 81.17 119.28 143.02 155.74 176.00 215.18 227.30 274.16 277.74 288.48 319.54 334.43 349.93 354.10 360.66 371.27 397.59 403.31 412.76 427.62 439.08 458.16 467.66 473.70 484.13 507.82 534.44 556.81 619.52 673.99 675.17 680.57 690.99 713.65 733.18 734.79 742.89 758.65 760.32 776.41 813.50 821.47 867.08 890.22 903.93 952.02 968.39 982.82 1025.88 1048.04 1082.05 1100.89 1117.40 1141.11 1210.98 1223.80 1230.94 1239.55 1279.96 1280.55 1322.19 1356.41 1415.39 1416.51 1446.75 1454.99 1475.87 1501.12 1502.19 1503.46 1537.00 1539.08 1546.85 1557.44 1558.78 1563.30 1592.04 1592.41 1608.61 1639.61 1655.72 1657.10 1713.15 1717.96 1732.20 1768.01 1781.36 1782.23 1795.58 1811.80 1851.23 1851.73 1857.88 1859.16 1875.65 1902.70 1904.97 1916.11 1985.11 2012.35 2014.16 2022.49 2031.30 2032.51 2074.45 2076.81 2083.96 2086.76 2115.29 2117.09 2118.17 2140.29 2142.71 2180.39 2194.40 2194.90 2210.38 2211.44 2237.68 2240.06 2240.22 2251.24 2251.73 2259.07 2259.63 2300.13 2335.32 2338.51 2355.89 2358.26 2365.01 2365.09 2365.88 2366.96 2375.26 2375.95 2381.48 2395.71 2396.89 2546.50 2571.90 2616.32 2894.85 4556.37 4557.93 4587.99 4597.68 4599.46 4600.08 4608.10 4611.63 4618.75 4619.26 4621.08 4628.39 4666.54 4670.77 4675.22 4675.96 4693.37 4694.13 4695.48 4697.19 4733.19 4754.15 4819.87 4821.21 4871.18 4900.40 4950.40 4978.24 0.530685 0.559167 0.560111 0.468892 -2562.368362 -2562.339880 -2562.338936 -2562.430155 3.059500D-04 MUNgauss RevisionA2.0 retrievium 26-Dec-2020 DUDE CC1CCN(CC1)S(=O)(=O)c2cc(c3c4c2cccc4C(=O)S3)S(=O)(=O)N5CCC(CC5)C C08833762 RHF 6-31G(d) (6D,10F) C1 508.116038 |X|Y|Z| 77.257718 98.360898 40.969575 67.775897 26 6 7 16 21 2 3 |36.858105| |12.468803|36.858105| |7.524224|12.436589|36.858105| |4.895246|7.516960|12.491904|36.858105| |4.422876|6.570262|7.775688|12.943721|53.358707| |4.892030|7.508600|6.519651|7.688871|17.599441|36.858105| |7.520728|12.436649|7.625735|6.537509|10.607716|12.494646|36.858105| |3.208302|4.208113|4.844025|7.216244|15.875684|7.143299|4.827753|388.023441| |2.910751|3.684596|3.860519|5.008965|10.428898|6.774050|4.528283|94.618372|73.516695| |2.882845|3.709643|4.351119|6.638376|10.284426|5.317327|3.906842|94.452009|13.738168|73.516695| |2.923592|3.577205|4.305533|5.588025|9.644995|4.862104|3.948482|75.984995|12.981482|13.073634|36.858105| |3.214492|3.825605|4.680321|5.425483|8.926753|4.729759|4.215011|49.720796|9.767378|9.121077|14.032883|36.858105| |2.780174|3.118713|3.717934|4.007307|6.022767|3.531552|3.330139|33.291627|7.169218|6.871048|7.832400|13.401801|36.858105| |2.342817|2.609925|3.057105|3.371126|4.972773|2.979891|2.756867|29.468884|6.511533|6.479914|6.767096|7.923390|14.002750|36.858105| |2.218805|2.525369|2.942618|3.415901|5.109598|3.021432|2.679416|33.365325|7.335518|7.619994|7.919242|6.954272|7.967713|13.391802|36.858105| |2.405373|2.835084|3.322301|4.117386|6.440066|3.630535|3.050970|48.519761|9.995834|10.896289|13.277765|7.870184|6.720161|7.685467|13.657777|36.858105| |2.147084|2.523156|2.879652|3.587728|5.490373|3.250586|2.696722|42.172605|9.399913|11.116337|7.444161|5.058517|4.480526|5.100291|7.955781|13.389620|36.858105| |1.870733|2.143916|2.413747|2.883630|4.264212|2.637294|2.263715|29.585386|6.945480|7.845389|5.035327|3.934018|3.797012|4.575078|6.939089|7.849678|13.934769|36.858105| |1.778596|1.999020|2.254000|2.603907|3.793614|2.370195|2.097239|24.767209|5.816624|6.284266|4.459610|3.793078|3.977819|5.217318|7.919926|6.703114|7.843835|13.491935|36.858105| |1.910168|2.136467|2.439089|2.778798|4.056442|2.499284|2.243541|25.859208|5.947749|6.252527|5.120858|4.600619|5.248791|8.000766|13.571127|7.784445|6.873746|8.017003|14.004436|36.858105| |1.789247|1.955247|2.214621|2.430972|3.488392|2.200841|2.036437|20.979347|4.889984|5.020910|3.976847|3.928150|4.853325|7.415825|7.938922|5.118226|4.488432|5.023957|7.504083|12.857737|36.858105| |1.612768|1.744979|1.952568|2.121503|3.016887|1.940167|1.808372|17.896771|4.235348|4.351479|3.207318|3.159158|3.755635|5.112074|5.388033|3.970337|3.718527|4.315494|6.303459|7.949502|16.131759|73.516695| |1.985328|2.141567|2.446171|2.603812|3.724688|2.344042|2.227169|21.347150|4.911382|4.913702|4.173644|4.631949|6.714216|10.794011|7.206550|4.772952|3.808698|3.807600|4.738709|7.090464|10.536831|12.815786|388.023441| |2.883660|3.046060|3.534893|3.453068|4.967350|3.126560|3.188424|24.906289|5.590622|5.294169|4.729170|6.944915|10.721595|6.901382|4.686202|4.133264|3.160351|2.816917|2.975054|3.707052|3.781890|5.591465|39.185361|388.023441| |2.580433|2.673542|3.130940|3.042669|4.163784|2.633495|2.689761|21.112992|4.703961|4.723689|3.881350|5.081389|7.299030|6.092295|4.246261|3.622046|2.874936|2.649248|2.867964|3.575461|3.854381|5.814470|41.757107|94.783244|73.516695| |3.616085|3.755807|4.337375|3.950000|5.663332|3.635809|3.934532|26.013180|5.811272|5.414007|4.544486|6.703022|7.391189|4.945242|3.841657|3.701317|2.908580|2.542730|2.587536|3.074380|3.018971|4.586968|28.015289|94.440480|13.689254|73.516695| |2.479971|2.583980|2.835235|2.800443|4.161479|2.756274|2.792196|21.545039|5.144712|4.584109|3.918487|5.150432|7.125579|5.809731|4.168129|3.617293|2.878058|2.639389|2.833207|3.497784|3.708482|5.616723|38.262494|82.538698|13.678398|13.336853|53.358707| |2.216315|2.245662|2.429246|2.358086|3.407422|2.306510|2.374706|17.502567|4.204450|3.844395|3.029977|3.731209|4.781665|4.320407|3.303863|2.880793|2.396183|2.258613|2.448262|2.949346|3.252708|5.158700|32.653710|51.044045|11.947288|9.760060|17.584763|36.858105| |1.931964|1.966075|2.088540|2.061264|3.012146|2.072679|2.102226|15.830818|3.904283|3.504458|2.687492|3.148300|3.866503|3.743605|3.019427|2.632509|2.250806|2.165055|2.367502|2.805700|3.143770|5.136355|29.675480|34.293838|8.078946|7.035380|10.611878|12.497937|36.858105| |1.953419|1.991575|2.068104|2.044915|3.055185|2.151559|2.181469|16.040801|4.068384|3.499893|2.655841|3.072540|3.571919|3.380309|2.841201|2.563235|2.213810|2.109390|2.257822|2.616361|2.811583|4.590666|24.829491|29.915053|6.551191|6.627751|8.939297|7.511097|12.438685|36.858105| |2.149942|2.241727|2.330234|2.341573|3.608940|2.531534|2.521508|19.198372|4.951055|4.070394|3.237686|3.796016|4.366435|4.016144|3.369539|3.073171|2.597258|2.423455|2.561448|2.995035|3.103571|4.913735|27.229427|34.373936|6.893004|7.626662|10.602275|6.531399|7.629254|12.438623|36.858105| |2.560168|2.680058|2.830530|2.801820|4.342308|2.987239|3.027694|22.359718|5.588230|4.622425|3.884869|4.962421|5.835646|4.755960|3.776255|3.483577|2.823349|2.554002|2.663277|3.171130|3.211177|4.938768|29.539015|51.417480|8.896444|11.547053|17.649389|7.721336|6.548800|7.521689|12.494626|36.858105| |1.704545|1.740911|1.793643|1.791604|2.669498|1.897084|1.901837|14.228887|3.659367|3.153661|2.307013|2.566037|2.905322|2.863210|2.513202|2.280309|2.027555|1.969518|2.114986|2.395372|2.587062|4.348964|21.568975|22.781377|5.191758|5.128696|6.022669|4.892391|7.518986|12.468873|7.522141|4.896060|36.858105| |17.544995|8.779386|6.851682|4.524800|5.257595|4.053936|5.473035|20.709146|4.640835|4.813153|2.688629|2.924959|2.580886|2.209520|2.097858|2.256800|2.032308|1.787341|1.705095|1.824855|1.717909|2.767672|13.499996|19.079734|4.396489|5.835870|3.123105|2.081658|1.815691|1.813288|1.968810|2.319275|1.592140|0.500000| |17.542247|8.778830|5.474061|4.056215|5.259753|4.525383|6.851560|20.691513|4.858849|4.662881|2.621913|2.836345|2.480135|2.122322|2.024951|2.191977|1.984280|1.742062|1.654433|1.763090|1.655429|2.670892|12.949178|18.258437|4.091161|5.600956|3.102012|2.057811|1.822484|1.865492|2.045619|2.392185|1.643586|0.301630|0.500000| |17.537371|8.783837|6.807856|4.532874|5.778446|4.526685|6.798222|22.342534|5.086131|4.922963|2.993019|3.417580|3.009021|2.488394|2.303624|2.455691|2.155562|1.884378|1.813103|1.972532|1.866908|2.982235|15.022558|23.145670|5.116576|7.593202|3.778041|2.480607|2.126931|2.146796|2.356796|2.863755|1.846122|0.301521|0.301319|0.500000| |8.916678|17.473527|8.918576|6.869648|7.931659|6.870946|8.923175|28.231903|6.254606|6.542825|3.248569|3.324634|2.743951|2.364072|2.336401|2.643934|2.420238|2.067335|1.908558|2.007198|1.828454|2.923167|13.964951|18.717517|4.189888|5.541798|3.094725|1.999501|1.777213|1.801135|2.014390|2.352346|1.597089|0.213316|0.213230|0.173526|0.500000| |6.835467|8.805385|17.534368|8.928996|7.672395|4.887777|5.524508|28.587492|5.789390|6.871995|3.676782|3.922770|3.288070|2.787909|2.691592|2.983127|2.640060|2.257262|2.121421|2.279814|2.090869|3.309261|16.315046|22.623698|5.231307|6.726326|3.490206|2.250580|1.940841|1.900817|2.102386|2.511217|1.661945|0.203923|0.140153|0.167316|0.215609|0.500000| |6.946179|8.839856|17.525777|8.877955|9.459478|5.698057|6.832579|32.958139|6.647171|7.119896|4.558976|5.421407|4.353505|3.420460|3.162567|3.472249|2.908264|2.449384|2.331898|2.581721|2.375076|3.692063|19.254738|30.740222|6.651752|10.092707|4.503479|2.794663|2.341876|2.298863|2.595627|3.253831|1.957908|0.172188|0.141103|0.206221|0.174246|0.302673|0.500000| |4.481710|6.705201|8.798372|17.535058|12.330405|6.883277|5.689924|44.667047|8.246248|11.862584|4.598125|4.257226|3.315531|2.910652|3.020597|3.639885|3.357783|2.739203|2.439510|2.537091|2.218180|3.489781|16.485706|20.554093|4.638323|5.733969|3.295306|2.080016|1.848635|1.840407|2.086236|2.433137|1.636334|0.118823|0.107078|0.110484|0.200256|0.216075|0.173451|0.500000| |4.073728|5.492738|8.849387|17.630435|12.405975|5.615470|4.913804|50.059592|8.313925|12.539573|6.315789|6.017325|4.476928|3.807153|3.888802|4.702322|4.000376|3.189358|2.890159|3.115613|2.697587|4.141791|20.521723|26.348764|5.932917|7.236210|3.972445|2.449542|2.126505|2.073323|2.363564|2.829449|1.814082|0.108417|0.094853|0.109101|0.140364|0.212989|0.217139|0.303150|0.500000| |4.495283|6.734696|5.699986|6.896816|12.308896|17.508953|8.825455|44.153623|10.685440|9.367770|4.139839|3.874044|3.014816|2.632727|2.720742|3.268488|3.057302|2.511072|2.231837|2.305907|2.028717|3.214308|15.066178|19.060335|4.132339|5.402811|3.252791|2.041970|1.856579|1.920532|2.223553|2.557184|1.719227|0.107414|0.119200|0.110663|0.201641|0.127886|0.131577|0.202871|0.141730|0.500000| |4.067604|5.485698|4.905714|5.626414|12.441267|17.689896|8.825365|49.440607|14.432439|8.756624|4.866909|4.683510|3.536521|3.010986|3.070706|3.690274|3.319575|2.696153|2.419848|2.546157|2.236790|3.505767|16.854561|22.065419|4.580103|6.291318|3.859623|2.354266|2.147357|2.271426|2.724454|3.175416|2.010953|0.094757|0.108313|0.108817|0.140396|0.107869|0.128341|0.141900|0.127010|0.302238|0.500000| |6.932358|8.841391|6.847393|5.728689|9.512545|8.892392|17.519991|32.933575|7.799113|6.471418|4.131049|4.713352|3.744679|3.000592|2.831644|3.156790|2.714896|2.288127|2.153649|2.345073|2.151182|3.376490|17.126969|26.380384|5.374671|8.575955|4.410964|2.710136|2.363798|2.468898|2.888374|3.587752|2.111074|0.140930|0.171833|0.205512|0.174283|0.139770|0.201055|0.131729|0.128954|0.173760|0.216584|0.500000| |6.840742|8.803970|5.523416|4.892487|7.679484|8.929724|17.530220|28.447516|7.085062|5.962677|3.305318|3.466302|2.850908|2.419658|2.364100|2.659863|2.406573|2.055069|1.907907|2.020557|1.848505|2.949677|14.248585|19.713511|4.220156|5.947786|3.418559|2.178666|1.960854|2.059037|2.357636|2.758686|1.817343|0.140238|0.204220|0.167330|0.215421|0.123402|0.139655|0.127463|0.107920|0.216221|0.212447|0.302396|0.500000| |3.873759|4.697983|5.789093|6.279081|10.691459|5.675335|5.314551|47.562622|9.525039|8.537596|9.038341|17.819506|8.902828|5.680674|5.002489|5.611223|4.090959|3.274010|3.134564|3.657323|3.246455|4.807117|27.251924|48.111301|8.586668|14.344242|6.753613|3.662512|3.045530|3.023899|3.706530|5.009415|2.502239|0.095169|0.093084|0.116662|0.108163|0.126881|0.198606|0.129975|0.178892|0.122137|0.151469|0.174769|0.115890|0.500000| |2.195154|2.621024|2.955688|3.788823|5.870661|3.500606|2.813092|47.927802|10.827461|14.138020|6.733113|4.569673|3.863914|4.117237|5.648662|8.802890|17.793860|9.031076|5.617754|4.958848|3.584441|5.477032|22.539332|20.284972|4.596050|4.831711|3.536862|2.185003|2.054107|2.045468|2.391102|2.599848|1.881518|0.057635|0.056625|0.060356|0.070976|0.075115|0.080787|0.101527|0.114675|0.093718|0.099146|0.076926|0.070022|0.108055|0.500000| |1.742953|1.990251|2.209912|2.626612|3.847412|2.437516|2.093699|26.176098|6.310666|7.178142|4.086727|3.278233|3.137015|3.637031|4.987510|5.611725|9.032561|17.733591|8.858008|5.692356|4.072825|6.596593|22.511304|17.308298|4.101943|3.976055|3.135074|2.007219|1.941703|1.905078|2.163073|2.252296|1.801672|0.046445|0.045415|0.048413|0.053966|0.057896|0.061508|0.070857|0.079498|0.065673|0.069220|0.058163|0.053407|0.078448|0.219300|0.500000| |1.618231|1.797829|2.005710|2.279147|3.281269|2.093529|1.875626|20.786752|4.963139|5.317876|3.563968|3.142160|3.326809|4.231044|5.629610|4.864828|5.603309|8.770652|17.738992|8.979635|6.790894|11.890758|29.932943|18.659946|4.583939|4.079791|3.463339|2.258471|2.219429|2.110681|2.346229|2.391969|2.011894|0.043310|0.042051|0.045783|0.047936|0.052940|0.057464|0.059967|0.069562|0.055248|0.059342|0.053384|0.047872|0.074279|0.123822|0.212391|0.500000| |2.134531|2.161978|2.377015|2.311563|3.269273|2.183512|2.239247|16.866113|3.984110|3.773588|2.939798|3.579900|4.687108|4.404494|3.327482|2.845658|2.374521|2.262333|2.485510|3.018737|3.427147|5.469082|35.800189|49.531712|14.403207|9.049555|12.445628|17.687414|8.838424|5.489649|4.912282|5.641228|4.069933|0.056446|0.054710|0.065958|0.053774|0.062057|0.075847|0.056815|0.067698|0.054168|0.061136|0.069973|0.056864|0.096058|0.059798|0.055798|0.064049|0.500000| |2.317196|2.296748|2.448948|2.320189|3.328916|2.292860|2.418860|16.663133|4.010018|3.660587|2.794109|3.432645|4.147971|3.636908|2.885834|2.600955|2.189772|2.050458|2.183870|2.572493|2.769094|4.442830|26.322855|44.747556|10.404070|9.913301|12.282950|17.498214|8.823166|6.737464|5.713869|6.935634|4.494326|0.060356|0.059964|0.073098|0.056482|0.063148|0.078674|0.056926|0.066082|0.056369|0.064701|0.077361|0.062057|0.097295|0.056310|0.051123|0.056146|0.301670|0.500000| |1.834890|1.891184|2.026936|2.035830|2.976836|2.025393|2.018108|16.003879|3.944575|3.570139|2.762004|3.175972|3.981654|4.092553|3.294300|2.788508|2.389633|2.335068|2.610553|3.137569|3.646398|5.991784|34.948264|32.772320|7.923152|6.484682|9.541590|8.908503|17.530670|8.836860|6.843691|5.734710|6.926172|0.048094|0.047998|0.055497|0.047820|0.052458|0.062629|0.050899|0.058901|0.050650|0.058349|0.062318|0.052142|0.082903|0.059800|0.057861|0.068324|0.217308|0.173879|0.500000| |1.803385|1.813460|1.916035|1.876097|2.705370|1.875885|1.917201|14.119777|3.476393|3.168704|2.347579|2.705436|3.238426|3.161391|2.617271|2.307414|2.008061|1.947927|2.126035|2.476607|2.785484|4.662625|25.423395|28.474947|7.082740|6.082174|7.679837|8.930459|17.532298|8.805209|5.525429|4.900824|6.834318|0.047445|0.047474|0.055055|0.045794|0.049985|0.059308|0.047129|0.053672|0.047111|0.053650|0.059385|0.050059|0.073416|0.051287|0.049035|0.056051|0.212725|0.216084|0.302325|0.500000| |2.016981|2.023145|2.074095|2.015172|2.994750|2.140386|2.214546|15.378093|3.895702|3.355461|2.489363|2.893026|3.272122|3.012161|2.557289|2.357175|2.046457|1.935491|2.043339|2.338714|2.475921|4.056186|21.598372|28.304630|6.206638|6.640486|7.912501|6.865672|8.921015|17.474963|8.923726|6.872644|8.920194|0.051871|0.053802|0.062131|0.050631|0.052997|0.064206|0.050421|0.056217|0.053049|0.062548|0.070124|0.058508|0.081272|0.053148|0.048886|0.053096|0.140365|0.201517|0.174228|0.215501|0.500000| |2.029368|2.147566|2.258586|2.321194|3.587936|2.476605|2.404537|19.760328|5.119021|4.214508|3.413703|3.891161|4.567405|4.475937|3.794530|3.366829|2.846337|2.690834|2.893747|3.424708|3.579597|5.628199|30.943774|32.823127|6.744437|6.961948|9.525388|5.718643|6.842932|8.840144|17.527945|8.902102|6.934406|0.051945|0.053495|0.060990|0.054099|0.056794|0.069203|0.057700|0.065811|0.060858|0.074190|0.075181|0.062199|0.101123|0.071614|0.066158|0.073492|0.128751|0.131999|0.201169|0.139738|0.174287|0.500000| |2.138081|2.228370|2.265644|2.276233|3.554495|2.562555|2.552830|18.827429|4.992395|3.971993|3.050790|3.482103|3.766174|3.451265|3.031129|2.865265|2.472689|2.296810|2.379677|2.708509|2.737784|4.383813|22.863694|28.567198|5.797976|6.767278|7.677356|4.892462|5.524658|8.800896|17.534034|8.920607|6.831731|0.053989|0.057236|0.064762|0.055860|0.056549|0.069229|0.056784|0.062844|0.062640|0.077973|0.081147|0.067351|0.096460|0.064296|0.057617|0.060770|0.107955|0.128087|0.139699|0.123398|0.215572|0.302288|0.500000| |2.747428|2.802195|2.891595|2.769011|4.248325|3.009221|3.175368|20.982133|5.241163|4.357980|3.468014|4.387418|4.828601|3.903874|3.205023|3.047674|2.521966|2.277399|2.341814|2.725309|2.743907|4.295570|24.554520|45.128056|8.142769|11.961371|12.314743|6.922434|5.708368|6.717131|8.800089|17.527074|4.484770|0.068503|0.071729|0.087134|0.067617|0.071167|0.093034|0.066885|0.076298|0.071370|0.088281|0.106924|0.081180|0.131015|0.065731|0.056535|0.058924|0.142433|0.204778|0.132002|0.127904|0.200678|0.173659|0.215588|0.500000| |2.732944|2.952240|3.128993|3.176529|5.135046|3.491678|3.436736|26.833079|6.794001|5.333739|4.766616|6.246077|6.817147|5.272385|4.291614|4.100190|3.237107|2.845086|2.905429|3.455313|3.343285|5.047468|29.680456|49.811917|8.331924|11.751823|12.409092|5.624162|4.916642|5.498578|8.870965|17.611454|4.077356|0.067970|0.070635|0.084006|0.071667|0.075506|0.099525|0.075726|0.088561|0.081302|0.105254|0.114088|0.085632|0.174374|0.082894|0.069037|0.071158|0.127082|0.142173|0.128953|0.108001|0.140524|0.217944|0.213672|0.302535|0.500000| |1.607646|1.626243|1.674277|1.660533|2.441698|1.737879|1.755519|12.919597|3.295120|2.896574|2.075976|2.300613|2.598282|2.568737|2.262866|2.055681|1.842945|1.801170|1.937134|2.178993|2.374481|4.050225|19.711625|20.677019|4.865186|4.692084|5.259427|4.523432|6.847725|8.779789|5.473786|4.057607|17.545332|0.041995|0.043137|0.048358|0.041578|0.043458|0.050671|0.042323|0.046759|0.044040|0.050721|0.053831|0.046763|0.062640|0.047676|0.046054|0.051628|0.108329|0.119096|0.171663|0.203893|0.213354|0.140956|0.140118|0.107198|0.094924|0.500000| |1.688636|1.724734|1.753991|1.752969|2.633126|1.899413|1.903442|14.012013|3.659710|3.095304|2.226303|2.448573|2.692283|2.626557|2.356539|2.184178|1.961724|1.896847|2.007340|2.238059|2.362438|3.971108|19.163888|20.689871|4.649043|4.805320|5.258660|4.053932|5.471624|8.776263|6.850396|4.524015|17.543695|0.043613|0.045602|0.050618|0.044084|0.045003|0.052807|0.044677|0.048854|0.047915|0.056442|0.058593|0.051011|0.066973|0.051074|0.048535|0.053026|0.094791|0.107390|0.140845|0.140126|0.213273|0.171891|0.203805|0.118803|0.108539|0.301632|0.500000| 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