Version2.1 2021-01-19T10:52:55Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 24-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1ccccc1C[NH+]2CCC(CC2)CNS(=O)(=O)c3ccc4c(c3)NC(=O)CCS4 C15731078 RHF 6-31G(d) (6D,7F) COc1ccccc1C[NH+]2CCC(CC2)CNS(=O)(=O)c3ccc4c(c3)NC(=O)CCS4 C01[X(C23H30N3O4S2)] 180 C1 548 COc1ccccc1C[NH+]1CCC(CC1)CNS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 COc1ccccc1C[NH+]1CCC(CC1)CNS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 COc1ccccc1C[NH+]2CCC(CC2)CN[S](=O)(=O)c3ccc4SCCC(=O)Nc4c3 InChIKey=KXUZUEMBGNTQNL-UHFFFAOYSA-O InChI=1S/C23H29N3O4S2/c1-30-21-5-3-2-4-18(21)16-26-11-8-17(9-12-26)15-24-32(28,29)19-6-7-22-20(14-19)25-23(27)10-13-31-22/h2-7,14,17,24H,8-13,15-16H2,1H3,(H,25,27)/p+1 InChI=1/C23H29N3O4S2/c1-30-21-5-3-2-4-18(21)16-26-11-8-17(9-12-26)15-24-32(28,29)19-6-7-22-20(14-19)25-23(27)10-13-31-22/h2-7,14,17,24H,8-13,15-16H2,1H3,(H,25,27)/p+1/fC23H30N3O4S2/h25-26H/q+1 COc1ccccc1C[NH+]2CCC(CC2)CNS(=O)(=O)c3ccc4c(c3)NC(=O)CCS4 C01[X(C23H30N3O4S2)] 180 C01 548 COc1ccccc1C[NH+]1CCC(CC1)CNS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 CO[C]1[CH][CH][CH][CH][C]1C[NH]1CC[C@H](CC1)CN[S@]([O])(=O)[C]1[CH][CH][C]2[C]([CH]1)NC(=O)CCS2 CO[C]1[CH][CH][CH][CH][C]1C[NH]2CCC(CC2)CN[S]([O])(=O)[C]3[CH][CH][C]4SCCC(=O)N[C]4[CH]3 InChIKey=VVFILFCAOVAJSI-UHFFFAOYSA-N InChI=1S/C23H30N3O4S2/c1-30-21-5-3-2-4-18(21)16-26-11-8-17(9-12-26)15-24-32(28,29)19-6-7-22-20(14-19)25-23(27)10-13-31-22/h2-7,14,17,26H,8-13,15-16H2,1H3,(H,25,27)(H,24,28,29) InChI=1/C23H30N3O4S2/c1-30-21-5-3-2-4-18(21)16-26-11-8-17(9-12-26)15-24-32(28,29)19-6-7-22-20(14-19)25-23(27)10-13-31-22/h2-7,14,17,26H,8-13,15-16H2,1H3,(H,25,27)(H,24,28,29)/f/h24-25H 3520.2021499177 -2146.0042633 1-A 28084.6478 126 422 548 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.29767 -92.01702 -20.70983 -20.64231 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1397.0564 1417.4010 1427.1769 1438.8468 1443.9490 1449.2486 1459.5681 1469.5614 1478.9339 1490.4705 1494.0119 1522.3608 1531.8861 1535.2249 1536.5176 1559.0763 1563.9244 1572.5902 1583.2111 1591.4401 1612.9991 1618.6747 1622.2299 1629.8855 1632.3139 1635.3090 1636.0468 1638.4187 1642.1581 1643.1612 1643.9245 1649.1788 1652.3044 1657.3138 1658.8021 1677.7982 1752.2136 1784.7425 1790.4089 1808.6481 1996.5634 3186.8332 3201.6141 3228.1455 3231.8896 3234.9995 3248.5405 3259.0457 3261.7516 3269.6385 3282.8460 3287.4707 3301.1890 3305.1143 3308.3571 3311.5691 3318.4939 3324.6089 3343.5732 3349.3324 3360.1155 3366.1341 3385.0860 3398.2590 3404.3484 3408.6389 3413.6627 3420.1957 3688.4599 3833.2463 3846.0692 7.2818 5.3369 6.5997 5.7164 5.0681 3.5371 3.7015 6.3025 6.1576 4.1337 3.6276 4.3194 4.6819 7.5969 4.5586 2.9555 3.2988 3.6539 3.4628 2.7103 2.2328 2.1667 2.8287 2.5638 6.3089 3.4235 5.7418 4.4365 3.7901 3.5593 3.8572 5.3636 2.0102 3.6082 3.1294 2.3857 1.5891 2.4668 2.9410 4.6071 3.2342 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1521.78 1539.66 1554.36 1568.05 1568.70 1594.14 1613.37 1628.55 1630.47 1644.09 1657.20 1667.14 1680.13 1702.95 1733.49 1737.92 1747.37 1751.06 1763.88 1787.92 1821.89 1824.89 1829.99 1836.59 1841.72 1857.46 1890.48 1893.05 1920.45 1922.77 1960.53 1980.67 1997.50 2006.99 2010.05 2039.32 2053.39 2070.18 2077.52 2085.15 2099.99 2114.37 2127.86 2144.45 2149.55 2190.34 2204.04 2208.85 2210.71 2243.16 2250.14 2262.61 2277.89 2289.73 2320.75 2328.91 2334.03 2345.04 2348.54 2352.84 2353.91 2357.32 2362.70 2364.14 2365.24 2372.80 2377.30 2384.50 2386.65 2413.98 2521.04 2567.85 2576.00 2602.24 2872.61 4585.14 4606.41 4644.58 4649.97 4654.44 4673.93 4689.04 4692.93 4704.28 4723.28 4729.94 4749.67 4755.32 4759.99 4764.61 4774.57 4783.37 4810.66 4818.94 4834.46 4843.12 4870.38 4889.34 4898.10 4904.27 4911.50 4920.90 5306.87 5515.19 5533.64 0.557919 0.586190 0.587134 0.494072 -2145.446344 -2145.418073 -2145.417129 -2145.510192 3.121348D-04 MUNgauss RevisionA2.0 retrievium 19-Jan-2021 DUDE COc1ccccc1C[NH+]2CCC(CC2)CNS(=O)(=O)c3ccc4c(c3)NC(=O)CCS4 C15731078 RHF 6-31G(d) (6D,10F) C1 476.167775 |X|Y|Z| 155.061946 50.753359 38.266509 67.029033 27 6 7 16 22 3 2 |36.858105| |13.487329|73.516695| |7.966850|25.162661|36.858105| |6.708993|14.024158|13.727860|36.858105| |4.511019|9.256448|7.937376|13.745730|36.858105| |3.777887|8.189440|6.824029|7.897529|13.764423|36.858105| |3.975241|9.395990|7.920356|6.888858|8.001959|13.779707|36.858105| |5.232105|14.532876|13.611317|7.902194|6.873163|7.882112|13.710859|36.858105| |4.575363|12.253869|7.546842|5.021121|4.456761|5.029990|7.602695|12.672884|36.858105| |3.896816|9.567711|5.547156|4.103957|3.750427|4.200370|5.794247|7.572002|12.565669|53.358707| |3.495694|8.273226|5.173548|4.060159|3.911819|4.593601|6.440023|7.296858|9.317706|25.696088|0.500000| |3.166645|7.181429|3.976622|3.142596|2.932539|3.257858|4.217107|4.978509|7.647799|17.291567|0.258721|36.858105| |2.702472|5.821639|3.227624|2.685726|2.548388|2.797919|3.425339|3.812687|4.950564|10.379814|0.198049|12.499476|36.858105| |2.836352|5.973261|3.201301|2.686216|2.494157|2.644224|3.128835|3.559770|4.339768|8.775894|0.163760|7.515294|12.429716|36.858105| |3.357881|7.241371|3.916817|3.248004|2.967402|3.106102|3.672996|4.282561|4.931655|10.409334|0.199787|6.537841|7.621348|12.442246|36.858105| |4.386842|10.494682|5.507685|4.145673|3.609078|3.754643|4.677981|6.141305|7.540171|17.222460|0.259644|7.693901|6.524891|7.529698|12.522481|36.858105| |2.359199|4.778184|2.601499|2.275268|2.155732|2.276090|2.600619|2.833663|3.257876|5.944037|0.119576|4.901217|7.553102|12.425338|7.485258|4.886894|36.858105| |2.321652|4.564692|2.445319|2.174215|2.039980|2.103295|2.344134|2.565465|2.849088|4.935481|0.098277|3.806686|4.991692|7.710841|6.376714|4.325256|13.110489|53.358707| |2.159888|4.169568|2.275708|2.083246|1.979889|2.025763|2.199806|2.352554|2.501626|4.191210|0.086357|3.065904|3.774766|5.064996|5.066814|3.642508|7.001191|15.831511|388.023441| |2.142576|4.030643|2.163120|1.998651|1.877974|1.885079|2.020084|2.178908|2.289253|3.708981|0.074993|2.681181|3.134193|4.103855|4.229987|3.271542|4.996715|10.637947|95.036024|73.516695| |2.290259|4.488105|2.510295|2.311395|2.222654|2.293048|2.484775|2.620704|2.730972|4.651582|0.099371|3.258288|3.973836|5.158553|5.810009|4.052444|6.462563|10.591862|94.642604|13.539383|73.516695| |1.809249|3.471035|1.918444|1.778931|1.720328|1.776523|1.913954|2.001997|2.126216|3.471533|0.072391|2.614523|3.218671|3.895377|3.658296|2.832749|5.458205|9.428535|76.475311|13.063113|13.064524|36.858105| |1.664377|3.150833|1.726005|1.606712|1.548386|1.587721|1.701382|1.784675|1.896898|3.028245|0.062264|2.303669|2.766099|3.278188|3.037673|2.453578|4.341918|7.456893|49.579329|11.409157|8.803044|13.746990|36.858105| |1.492821|2.819106|1.555259|1.457706|1.416947|1.458635|1.555327|1.613909|1.709914|2.690207|0.055613|2.059476|2.442970|2.767074|2.557139|2.126798|3.536342|5.525285|33.755369|7.824806|6.826627|8.002575|13.787988|36.858105| |1.440400|2.736629|1.527747|1.437509|1.412111|1.466236|1.561192|1.599950|1.689291|2.656264|0.055645|2.034086|2.418942|2.657605|2.464725|2.061076|3.372583|4.937035|29.829466|6.550201|6.562120|6.876590|7.879650|13.688657|36.858105| |1.532551|2.940635|1.657647|1.558485|1.540462|1.612313|1.721408|1.751736|1.845155|2.939979|0.062519|2.236325|2.699766|2.952861|2.764261|2.271746|3.813891|5.395107|33.615213|6.838666|7.885550|7.932416|6.815648|7.911935|13.621580|36.858105| |1.721478|3.326288|1.871100|1.746592|1.715658|1.793881|1.927902|1.978471|2.088370|3.401990|0.072542|2.561127|3.159195|3.605574|3.410752|2.687759|4.900681|7.171018|49.574447|8.908822|11.633262|13.772112|7.900944|6.893516|7.911503|13.713746|36.858105| |1.456529|2.802609|1.598774|1.513010|1.513824|1.598083|1.698641|1.702288|1.781460|2.811443|0.060545|2.132967|2.540452|2.670466|2.526768|2.123830|3.301802|4.435604|26.435381|5.489515|6.668054|5.190799|4.537983|5.136035|7.767725|13.573362|7.943482|53.358707| |1.333746|2.546034|1.456731|1.392666|1.400876|1.473692|1.548931|1.541650|1.596640|2.473921|0.053209|1.861018|2.158618|2.246134|2.160314|1.861101|2.671329|3.624099|21.487476|4.677795|5.451250|3.960848|3.680646|4.263504|6.088604|7.634795|5.292400|18.900128|36.858105| |1.283094|2.452864|1.412876|1.356046|1.374565|1.453981|1.523395|1.501885|1.549950|2.381829|0.051501|1.790490|2.054033|2.093240|2.020556|1.767203|2.432617|3.233162|18.698466|4.096862|4.835701|3.259030|3.020457|3.389864|4.474612|5.359988|4.182980|11.632160|15.958056|73.516695| |1.274091|2.407117|1.368382|1.314467|1.315445|1.368847|1.428962|1.430852|1.474443|2.264753|0.048248|1.692639|1.938527|2.050514|1.990502|1.725975|2.417461|3.395204|20.530102|4.654524|5.071136|3.799854|3.754823|4.540715|6.304400|6.509732|4.676735|10.555886|12.580323|14.206126|36.858105| |1.210145|2.277831|1.285186|1.229948|1.224002|1.270100|1.330256|1.340772|1.391874|2.127769|0.044868|1.608694|1.839287|1.944068|1.856485|1.619860|2.292518|3.237001|19.019205|4.402512|4.531015|3.529736|3.744426|4.876909|6.708522|5.633805|4.062752|8.043310|7.500713|10.153035|12.455091|36.858105| |1.275178|2.410539|1.349264|1.276941|1.261019|1.310582|1.388144|1.412838|1.488018|2.296784|0.048046|1.767063|2.056316|2.188174|2.031001|1.751246|2.653203|3.754798|21.471705|4.906538|4.903333|4.195228|4.727498|6.975867|10.706911|6.837662|4.688435|8.338151|6.001188|8.267888|6.721582|10.411936|388.023441| |17.599994|16.416215|7.092347|6.739495|4.606175|3.767366|3.836782|4.813484|4.121135|4.643847|0.086658|2.841323|2.425522|2.489292|2.870703|3.633207|2.105243|2.804830|13.726246|3.398502|3.633035|1.646919|1.523360|1.379186|1.337034|1.419369|1.579244|1.848791|1.251675|2.151233|1.196287|1.137851|8.491393|0.500000| |17.594817|16.400098|6.935730|6.691161|4.549363|3.697091|3.744803|4.686038|4.005580|4.920197|0.092629|2.930048|2.583245|2.768628|3.354990|4.222312|2.344577|3.194529|15.862940|3.973082|4.240118|1.853849|1.701137|1.520453|1.464779|1.560680|1.759873|2.014810|1.358051|2.317301|1.302748|1.232302|9.184874|0.298413|0.500000| |17.665270|16.942108|5.871848|4.899599|3.618535|3.177541|3.408772|4.408839|4.222645|5.057449|0.090753|3.144990|2.701393|2.874387|3.319770|4.258945|2.387215|3.227584|15.467868|3.878653|4.018436|1.818613|1.687379|1.509476|1.445609|1.526687|1.712860|1.961920|1.317662|2.245705|1.262971|1.207042|9.101742|0.299878|0.300001|0.500000| |7.465074|12.552963|8.885286|17.775033|8.954028|5.644770|4.964980|5.621932|4.083474|4.736251|0.094453|2.767269|2.416042|2.463523|2.952307|3.654953|2.118151|2.806292|14.170454|3.455574|3.889091|1.702638|1.550308|1.406766|1.380285|1.486211|1.660330|1.956574|1.329222|2.295889|1.264427|1.186264|8.737606|0.221195|0.226992|0.145957|0.500000| |3.916664|7.471027|5.657479|8.963423|17.729226|8.926762|5.672958|4.953067|3.561519|4.234892|0.090189|2.522599|2.244742|2.214815|2.601011|3.048667|1.954657|2.545610|13.085764|3.127676|3.660656|1.614634|1.461038|1.343816|1.341129|1.458664|1.613942|1.957687|1.341474|2.345798|1.265681|1.176697|8.560606|0.113570|0.112896|0.089122|0.217609|0.500000| |3.125461|6.502057|4.928853|5.626482|8.896151|17.746873|8.910548|5.621636|4.102948|4.889558|0.110859|2.915572|2.568853|2.410214|2.772548|3.209119|2.121603|2.667086|13.560489|3.146001|3.841807|1.699694|1.521222|1.408869|1.426675|1.572011|1.734604|2.142228|1.461172|2.581222|1.353701|1.252307|9.127653|0.087288|0.085818|0.074941|0.124213|0.214366|0.500000| |3.321151|7.587571|5.634965|4.957546|5.675355|8.951307|17.677570|8.921053|7.071767|7.870231|0.189019|4.457706|3.620179|3.162183|3.577541|4.358303|2.649028|3.182358|15.514500|3.515165|4.379509|1.927571|1.709509|1.572693|1.591440|1.763232|1.964563|2.389251|1.597902|2.810122|1.460816|1.359094|10.100819|0.089172|0.087011|0.082006|0.107684|0.124558|0.215589|0.500000| |3.749375|9.123804|5.699826|4.243509|4.014869|4.746561|7.156353|8.918378|17.626551|12.437845|0.221028|7.440319|4.779232|3.921791|4.164532|5.586626|3.043013|3.569815|16.409459|3.733799|4.449960|2.011678|1.803685|1.644697|1.637935|1.788385|1.999586|2.374160|1.568372|2.726010|1.440446|1.362953|10.362168|0.097900|0.092215|0.097576|0.097547|0.091258|0.112456|0.214300|0.500000| |5.189167|14.160003|7.147407|4.722786|3.979621|4.193011|5.638114|8.841851|17.675279|12.375945|0.182224|6.898172|4.573064|4.191025|4.625200|7.067849|3.138674|3.814812|17.278661|4.026914|4.600280|2.058218|1.859928|1.672905|1.636433|1.766514|1.992419|2.301960|1.519014|2.610992|1.414145|1.345209|10.274122|0.127758|0.119716|0.138976|0.111790|0.090607|0.096633|0.143282|0.301156|0.500000| |2.893392|6.477106|3.716680|3.000421|2.876990|3.283654|4.299846|4.795688|7.211652|12.379344|0.223520|17.623650|8.793521|5.476496|4.903533|5.613386|4.069754|4.383774|19.090069|4.195609|5.084968|2.369092|2.105430|1.916100|1.915530|2.105096|2.365207|2.780542|1.798007|3.109496|1.626648|1.547269|12.021110|0.074045|0.074067|0.078998|0.072954|0.068956|0.082987|0.133333|0.235164|0.172987|0.500000| |3.319416|7.441991|3.886787|3.044941|2.769985|2.985931|3.766584|4.603872|7.069348|12.454188|0.182019|17.604982|8.780735|6.744592|5.760160|7.040037|4.489920|4.982500|20.672471|4.648702|5.316740|2.474267|2.225053|1.986855|1.936717|2.092314|2.377182|2.691598|1.736774|2.960619|1.598088|1.533745|12.032156|0.082356|0.083635|0.094402|0.075797|0.066605|0.073893|0.106932|0.185581|0.209752|0.301589|0.500000| |2.522258|5.403280|3.107149|2.645572|2.577738|2.889298|3.520829|3.728645|4.587600|9.298387|0.207747|8.879624|17.502150|8.809928|6.800262|5.677611|6.974385|6.324018|26.732424|5.412875|7.377683|3.297679|2.773922|2.478597|2.512739|2.877094|3.374383|3.764524|2.332773|3.976038|2.057089|1.925798|15.171185|0.063536|0.067795|0.068820|0.065678|0.063317|0.074875|0.106224|0.126192|0.112476|0.215674|0.173231|0.500000| |2.422323|5.090528|2.796709|2.366429|2.255310|2.461027|2.954606|3.239878|4.135538|7.594589|0.144850|8.985633|17.559246|8.758864|5.514426|4.896204|6.824904|6.285710|24.646149|5.191321|6.208895|3.097609|2.731099|2.449585|2.426045|2.665330|3.040956|3.416259|2.134617|3.616468|1.915349|1.842746|14.865894|0.061190|0.064060|0.068058|0.059843|0.055853|0.063557|0.087204|0.115310|0.109992|0.213473|0.214669|0.303733|0.500000| |2.918342|6.051155|3.117856|2.599576|2.370504|2.468964|2.898395|3.371055|4.159839|7.772365|0.136480|6.833602|8.899351|17.492348|8.905061|6.864633|8.924046|9.635202|32.449079|7.069507|7.725259|3.552655|3.129986|2.644534|2.488450|2.682626|3.196604|3.280608|2.056193|3.404822|1.906671|1.834209|14.761403|0.070777|0.078223|0.084421|0.067104|0.058671|0.062238|0.080271|0.103924|0.118225|0.139740|0.200290|0.173823|0.214741|0.500000| |3.077362|6.581808|3.763373|3.227826|3.053323|3.261707|3.813976|4.202392|4.574674|9.328499|0.210031|5.698190|6.796518|8.809187|17.531186|8.862881|6.909253|7.885669|36.718539|7.322719|11.941749|3.812588|3.067697|2.605377|2.566320|2.959062|3.707374|3.736602|2.333840|3.892706|2.122920|1.946083|14.950455|0.074479|0.086696|0.082492|0.080737|0.074692|0.082032|0.104783|0.110495|0.113620|0.127930|0.132423|0.198326|0.138861|0.173864|0.500000| |3.371486|6.938482|3.645683|3.107163|2.800947|2.840204|3.232496|3.752386|4.107916|7.601838|0.145930|4.898810|5.524928|8.803575|17.617596|8.987900|6.779498|9.652519|41.637036|9.123068|11.553799|3.887478|3.243286|2.665450|2.513654|2.782871|3.470302|3.394253|2.142137|3.525642|2.008187|1.876417|14.575252|0.079190|0.096094|0.093916|0.080652|0.069303|0.070696|0.085805|0.096917|0.111332|0.107894|0.128958|0.139272|0.123173|0.215235|0.305619|0.500000| |4.827225|11.375725|5.279888|3.931030|3.319402|3.354997|4.084634|5.477937|6.983987|12.438768|0.182439|7.048498|5.768981|6.763427|8.757919|17.620492|4.482231|5.605695|24.087678|5.611131|6.351300|2.658286|2.360380|2.047845|1.960578|2.121949|2.478532|2.682383|1.737247|2.927770|1.626476|1.543765|11.935914|0.108467|0.124464|0.137972|0.099154|0.078788|0.079939|0.105134|0.145569|0.215963|0.144336|0.213267|0.132367|0.129397|0.201572|0.172792|0.213086|0.500000| |5.079867|12.497636|6.868415|5.109744|4.301504|4.329933|5.257312|7.069120|7.086981|12.381522|0.225036|5.624150|4.896193|5.485403|8.804932|17.683256|4.053774|5.134475|24.162234|5.547510|6.908460|2.655239|2.305164|2.008516|1.952835|2.154208|2.537356|2.760658|1.797212|3.043762|1.676508|1.563374|11.850692|0.113966|0.141210|0.129573|0.123180|0.099103|0.099932|0.127892|0.143730|0.179533|0.126829|0.144501|0.127455|0.107839|0.140340|0.214902|0.213533|0.302101|0.500000| |2.252078|4.571444|2.555372|2.266594|2.187510|2.338007|2.656426|2.816478|3.163479|5.753990|0.122430|4.570598|6.890282|8.850047|6.827742|4.550114|17.615046|12.502774|49.692700|8.359249|13.280605|5.862566|4.359151|3.627925|3.616469|4.336249|5.811821|5.197552|3.008570|4.869118|2.650659|2.455818|19.953460|0.056259|0.062607|0.062311|0.058272|0.055270|0.061180|0.076038|0.082996|0.082413|0.109588|0.111311|0.209227|0.168015|0.174518|0.206470|0.166971|0.110996|0.108902|0.500000| |2.157194|4.331679|2.353499|2.067365|1.967732|2.082880|2.374623|2.568539|2.981352|5.236928|0.104342|4.574741|6.987741|8.830613|5.476956|4.069477|17.561844|12.449318|39.506891|7.598379|8.742586|5.026202|4.273430|3.605361|3.444040|3.788078|4.592017|4.477286|2.660129|4.317032|2.398777|2.322651|19.630603|0.054092|0.059005|0.061052|0.053640|0.049806|0.054327|0.067859|0.079273|0.080691|0.109402|0.119571|0.175870|0.207326|0.213992|0.141157|0.139296|0.107703|0.094843|0.303290|0.500000| |2.227514|4.314640|2.279264|2.030678|1.895004|1.939411|2.151186|2.365172|2.635654|4.428322|0.086567|3.477304|4.388762|6.334404|5.160321|3.829474|9.007110|25.960139|60.709820|13.241223|10.178834|6.152796|5.560670|4.111258|3.528403|3.661054|4.584524|4.080933|2.491494|3.951872|2.374675|2.316478|19.413266|0.055118|0.062260|0.064074|0.053949|0.048471|0.050227|0.059455|0.067780|0.073409|0.082608|0.096166|0.110588|0.118320|0.183891|0.127029|0.160003|0.105894|0.093266|0.181320|0.225888|0.500000| |1.695399|3.182032|1.723493|1.601971|1.530254|1.555998|1.665647|1.764039|1.876408|2.974597|0.060379|2.256974|2.668690|3.214824|2.994426|2.444268|4.119313|7.446972|47.172363|12.908363|8.090314|8.889148|17.751283|8.913048|5.619859|4.925286|5.629619|4.919567|3.059190|4.595728|3.159304|3.197422|27.849256|0.042984|0.048196|0.048122|0.043196|0.040122|0.041209|0.046162|0.049284|0.051647|0.056940|0.061467|0.072795|0.073233|0.087836|0.081949|0.090773|0.066381|0.063821|0.109596|0.112373|0.166264|0.500000| |1.408695|2.640957|1.451042|1.363490|1.322995|1.356294|1.441481|1.497899|1.585591|2.464166|0.050612|1.889619|2.205608|2.475061|2.290170|1.942587|3.063669|4.756014|27.867632|6.833297|5.721988|5.676007|8.947864|17.750542|8.947786|5.643635|4.965374|5.666433|3.685690|5.367804|4.062210|4.667665|47.845985|0.036281|0.039802|0.039723|0.036712|0.034957|0.036408|0.040410|0.042454|0.043366|0.049051|0.051144|0.061554|0.061916|0.066904|0.064079|0.066428|0.052519|0.051091|0.085480|0.087783|0.101193|0.215107|0.500000| |1.807783|3.526730|2.008408|1.876501|1.857435|1.958380|2.107728|2.143107|2.247612|3.702658|0.080563|2.744802|3.399313|3.827822|3.731948|2.907259|5.077004|6.964983|47.266560|8.260215|13.515932|8.917505|5.634347|4.966677|5.636875|8.927243|17.753805|9.956991|5.037126|7.457235|4.243277|3.561503|27.548634|0.046019|0.051428|0.049521|0.049193|0.048403|0.052723|0.059907|0.059719|0.058758|0.070498|0.069433|0.104150|0.088657|0.091274|0.117894|0.103348|0.072824|0.076708|0.181071|0.126462|0.118559|0.123996|0.107808|0.500000| |1.496251|2.903001|1.666290|1.571332|1.579816|1.683842|1.800584|1.793504|1.884965|2.992884|0.065061|2.284748|2.747086|2.821693|2.649328|2.226517|3.475790|4.471139|25.728186|5.243046|6.691635|4.744168|4.023024|4.321302|5.893849|9.200135|7.098554|25.998059|9.550665|14.216265|5.707298|4.635463|34.903859|0.038787|0.042074|0.041002|0.041204|0.041540|0.046182|0.052143|0.051580|0.049335|0.061217|0.058168|0.084830|0.075427|0.069746|0.080861|0.071256|0.056928|0.058790|0.114692|0.096505|0.082857|0.091324|0.099517|0.205050|0.500000| |1.333594|2.513893|1.425540|1.370307|1.366237|1.414560|1.474454|1.482820|1.523109|2.348724|0.049978|1.741313|1.996532|2.149124|2.109185|1.813229|2.548400|3.664640|23.009516|5.253482|5.660724|4.345976|4.274870|5.079399|6.775218|7.084048|5.306237|9.838798|8.888449|10.742744|17.579393|8.838303|42.948292|0.034652|0.038057|0.036728|0.036700|0.036515|0.038713|0.041629|0.041043|0.040625|0.046105|0.045715|0.058613|0.054317|0.055472|0.062591|0.059808|0.047405|0.049096|0.077564|0.069199|0.070898|0.098784|0.122946|0.130962|0.148031|0.500000| |1.213496|2.285191|1.304110|1.260972|1.267903|1.318114|1.366605|1.360680|1.392333|2.119151|0.045232|1.573998|1.779457|1.866958|1.830924|1.608251|2.156782|3.012419|18.055094|4.150994|4.533862|3.180721|3.127991|3.639799|4.648433|4.826340|3.798676|7.849823|9.073084|13.553407|17.612830|8.910191|36.038199|0.031776|0.034510|0.033326|0.033753|0.034050|0.036381|0.038793|0.037859|0.037062|0.042236|0.041305|0.052486|0.048719|0.048348|0.054306|0.051242|0.042114|0.043688|0.065431|0.059220|0.058587|0.075348|0.093214|0.099711|0.130274|0.302045|0.500000| |1.176965|2.201626|1.238269|1.188848|1.180087|1.217232|1.269594|1.283073|1.326973|2.017440|0.042361|1.517303|1.719680|1.830932|1.762078|1.545844|2.138258|3.067819|18.152044|4.315517|4.288626|3.302203|3.602632|4.652707|5.730194|4.696546|3.628616|6.296274|5.506193|7.927115|8.871022|17.622562|56.157762|0.030759|0.033378|0.032664|0.031995|0.031603|0.033299|0.035853|0.035984|0.035769|0.040439|0.040415|0.049616|0.047734|0.048373|0.051013|0.049902|0.041123|0.041618|0.062853|0.059856|0.061519|0.087717|0.130025|0.088586|0.104610|0.218937|0.210409|0.500000| 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