Version2.1 2021-01-13T13:42:55Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H](CCC(C)C)NC(=O)CSc1nnc(n1c2ccc(cc2)F)[C@H](C)[NH+]3CCCCC3 C40069206 RHF 6-31G(d) (6D,7F) C[C@H](CCC(C)C)NC(=O)CSc1nnc(n1c2ccc(cc2)F)[C@H](C)[NH+]3CCCCC3 C01[X(C24H37F1N5O1S1)] 201 C1 558 CC(CC[C@H](NC(=O)CSc1nnc(n1c1ccc(cc1)F)[C@@H]([NH+]1CCCCC1)C)C)C CC(CC[C@H](NC(=O)CSc1nnc(n1c1ccc(cc1)F)[C@@H]([NH+]1CCCCC1)C)C)C CC(C)CC[C@@H](C)NC(=O)CSc1nnc([C@H](C)[NH+]2CCCCC2)n1c3ccc(F)cc3 InChIKey=FWWQLVBZHNWZIY-MOPGFXCFSA-O InChI=1S/C24H36FN5OS/c1-17(2)8-9-18(3)26-22(31)16-32-24-28-27-23(19(4)29-14-6-5-7-15-29)30(24)21-12-10-20(25)11-13-21/h10-13,17-19H,5-9,14-16H2,1-4H3,(H,26,31)/p+1/t18-,19+/m1/s1 InChI=1/C24H36FN5OS/c1-17(2)8-9-18(3)26-22(31)16-32-24-28-27-23(19(4)29-14-6-5-7-15-29)30(24)21-12-10-20(25)11-13-21/h10-13,17-19H,5-9,14-16H2,1-4H3,(H,26,31)/p+1/t18-,19+/m1/s1/fC24H37FN5OS/h26,29H/q+1 C[C@H](CCC(C)C)NC(=O)CSc1nnc(n1c2ccc(cc2)F)[C@H](C)[NH+]3CCCCC3 C01[X(C24H37F1N5O1S1)] 201 C01 558 CC(CC[C@H](NC(=O)CSc1nnc(n1c1ccc(cc1)F)[C@@H]([NH+]1CCCCC1)C)C)C CC(CC[C@H]([NH][C](=O)CS[C]1[N][N][C]([N@@]1[C]1[CH][CH][C]([CH][CH]1)F)[C@@H]([NH]1CCCCC1)C)C)C CC(C)CC[C@@H](C)NC(=O)CS[C]1[N][N][C]([C@H](C)[NH]2CCCCC2)N1[C]3[CH][CH][C](F)[CH][CH]3 InChIKey=NVWQMYLXJNBLNW-MOPGFXCFSA-N InChI=1S/C24H37FN5OS/c1-17(2)8-9-18(3)26-22(31)16-32-24-28-27-23(19(4)29-14-6-5-7-15-29)30(24)21-12-10-20(25)11-13-21/h10-13,17-19,29H,5-9,14-16H2,1-4H3,(H,26,31)/t18-,19+/m1/s1 InChI=1/C24H37FN5OS/c1-17(2)8-9-18(3)26-22(31)16-32-24-28-27-23(19(4)29-14-6-5-7-15-29)30(24)21-12-10-20(25)11-13-21/h10-13,17-19,29H,5-9,14-16H2,1-4H3,(H,26,31)/t18-,19+/m1/s1/f/h26H 3373.8604640995 -1774.2539977 1-A 26377.5489 124 434 558 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15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 6 6 1 6 6 6 6 6 7 6 8 6 16 6 7 7 6 7 6 6 6 6 6 6 9 6 1 6 7 1 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 31.97207 12.00000 14.00307 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 12.00000 1.00783 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 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 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 1.00783 1.00783 1.00783 1.00783 12278.4067 36700.2791 44049.0746 0.99995 0.00942 0.00359 -0.00941 0.99995 -0.00406 -0.00363 0.00403 0.99999 1 0.00705 0.00236 0.00197 0.14698 0.04918 0.04097 9.96 19.01 32.56 39.27 41.29 45.70 60.46 64.64 70.53 93.90 107.63 110.87 140.64 157.52 183.13 192.37 195.41 221.20 231.46 247.01 267.67 324.17 343.07 356.98 364.83 384.35 389.21 394.07 412.76 442.44 477.92 487.93 517.20 527.72 551.82 565.89 577.00 603.85 635.36 676.32 677.33 679.65 688.17 702.23 704.81 719.44 751.83 756.39 777.02 777.90 813.66 872.92 945.91 955.40 994.97 1005.76 1088.50 1116.35 1131.25 1149.89 1185.73 1188.36 1234.07 1244.26 1260.16 1268.47 1308.32 1310.16 1344.40 1373.48 1379.05 1384.24 1397.38 1420.57 1449.18 1453.51 1469.39 1476.71 1497.30 1497.82 1504.02 1525.01 1549.02 1568.69 1584.90 1587.33 1590.04 1601.28 1612.88 1619.31 1634.15 1639.44 1681.12 1686.81 1706.39 1714.17 1727.62 1766.70 1781.01 1785.55 1803.63 1835.90 1836.35 1847.40 1859.07 1862.03 1863.36 1875.22 1914.02 1942.44 1960.08 1967.96 2013.69 2024.09 2026.83 2040.63 2051.45 2068.31 2080.85 2092.79 2119.14 2129.33 2140.47 2150.61 2159.79 2166.53 2185.90 2196.98 2203.08 2215.84 2220.11 2243.48 2244.46 2250.61 2254.47 2261.11 2266.36 2267.60 2268.97 2288.24 2308.36 2331.28 2342.51 2343.65 2350.64 2351.97 2354.28 2357.24 2360.92 2361.20 2365.62 2369.39 2369.90 2374.14 2378.95 2386.33 2394.47 2427.21 2450.47 2466.99 2538.43 2574.18 2611.53 2800.03 4573.60 4585.35 4590.22 4594.55 4604.16 4611.17 4619.82 4626.57 4627.63 4636.89 4656.56 4662.42 4677.87 4690.18 4695.99 4696.90 4699.54 4703.77 4703.97 4708.13 4718.13 4721.05 4727.38 4730.57 4733.63 4742.20 4776.06 4782.30 4782.86 4823.58 4836.38 4868.41 4878.26 4911.83 4914.20 5182.84 5552.48 0.642386 0.673949 0.674893 0.573020 -1773.611612 -1773.580049 -1773.579105 -1773.680978 3.416837D-04 MUNgauss RevisionA2.0 retrievium 13-Jan-2021 DUDE C[C@H](CCC(C)C)NC(=O)CSc1nnc(n1c2ccc(cc2)F)[C@H](C)[NH+]3CCCCC3 C40069206 RHF 6-31G(d) (6D,10F) C1 462.270286 |X|Y|Z| 139.170436 73.418770 40.231305 74.354297 18 6 7 14 4 |36.858105| |12.465034|36.858105| |8.913345|17.624539|0.500000| |7.504399|12.442016|0.246659|36.858105| |4.861110|7.409379|0.192434|12.436907|36.858105| |3.728388|4.821185|0.127175|7.371109|12.393118|36.858105| |2.983169|3.755377|0.104374|4.871294|7.569742|12.437203|36.858105| |3.425561|4.148033|0.103711|6.066254|7.456117|12.431188|7.574085|36.858105| |7.731786|13.007226|0.258707|7.775708|6.288119|4.245085|3.513485|3.859120|53.358707| |5.838226|7.715939|0.206493|5.189089|4.736126|3.441099|3.047105|3.115559|19.323277|36.858105| |5.480658|6.717381|0.212369|4.538970|4.200297|3.138182|2.839425|2.775082|11.512348|15.869120|73.516695| |4.200639|5.000260|0.130834|3.974988|3.832320|2.983754|2.733317|2.823715|10.756390|12.499032|14.249814|36.858105| |3.288464|3.686955|0.103669|3.016048|2.976878|2.426362|2.306326|2.272036|6.559937|7.052745|12.176687|10.485067|388.023441| |2.679887|2.940369|0.080346|2.554115|2.554439|2.165423|2.086044|2.090616|5.081544|4.688192|7.632741|7.073920|77.342620|36.858105| |2.613521|2.865516|0.076289|2.558005|2.560935|2.197956|2.109184|2.171992|4.990083|4.307323|6.664786|6.559357|49.469863|14.804469|53.358707| |2.207833|2.378996|0.063809|2.171340|2.186421|1.927396|1.873369|1.919739|3.956997|3.297622|5.305897|4.468686|35.150148|8.932235|19.030570|53.358707| |2.078141|2.225311|0.060750|2.014839|2.031681|1.793742|1.756397|1.762937|3.628100|3.080421|5.152661|4.009771|35.342193|8.892912|12.124121|20.313476|36.858105| |2.277671|2.453599|0.067923|2.169059|2.181162|1.891963|1.847276|1.827846|4.036347|3.586060|6.143870|4.731110|49.598293|13.889736|11.869154|11.950999|14.013685|53.358707| |2.139064|2.281546|0.064421|2.008797|2.019274|1.760117|1.728755|1.680646|3.635996|3.235283|5.842212|3.930142|42.485360|7.559246|7.258813|7.282349|7.566254|18.092957|36.858105| |2.042570|2.211399|0.063507|1.965680|2.013136|1.762331|1.758297|1.662880|3.466985|3.064478|5.653537|3.568119|37.117927|5.738090|5.895419|5.827217|5.526941|10.627162|13.732355|36.858105| |1.888659|2.018871|0.058547|1.800160|1.837034|1.623076|1.623760|1.524665|3.078846|2.677600|5.063441|2.964461|29.076465|4.144656|4.524290|4.493411|4.058999|6.995771|7.947046|13.779078|36.858105| |1.829707|1.914849|0.055272|1.699744|1.706916|1.513216|1.498991|1.429218|2.891075|2.495331|4.740632|2.729125|26.225875|3.717060|4.130964|4.135468|3.711745|6.219596|6.963106|8.015271|13.799411|36.858105| |1.896272|1.957551|0.055815|1.725466|1.708624|1.510213|1.478999|1.438799|2.981913|2.579770|4.842155|2.872695|27.805083|4.074340|4.504095|4.545265|4.146397|6.997247|7.945128|6.846492|7.876772|13.800923|36.858105| |2.053549|2.133231|0.060116|1.870922|1.849018|1.621585|1.579676|1.554151|3.333142|2.923324|5.356761|3.414890|34.632451|5.561163|5.853439|5.940764|5.750660|10.636839|13.738038|7.907482|6.849912|8.017821|13.776656|36.858105| |1.684600|1.749805|0.050739|1.564522|1.570466|1.404886|1.395785|1.324656|2.591322|2.198554|4.205143|2.339974|21.413036|2.967113|3.416849|3.420056|2.964060|4.725466|4.699052|5.327138|8.197656|14.451787|8.200443|5.328422|97.533100| |1.786506|1.892623|0.051899|1.739892|1.759609|1.582666|1.562808|1.561455|2.996692|2.480791|4.223726|3.044962|25.810388|5.261237|7.225059|10.628257|12.638847|10.104025|6.018850|4.839781|3.838269|3.598187|3.983029|5.133509|6.612692|36.858105| |1.732880|1.815143|0.050007|1.658340|1.664231|1.497257|1.474133|1.471571|2.842518|2.361224|4.086555|2.836852|24.548689|4.712182|6.115940|8.018306|8.876601|9.187024|6.353709|4.930736|4.084997|4.024926|4.655411|6.031907|7.332862|17.620271|0.500000| |1.668268|1.788384|0.049489|1.664165|1.712207|1.553498|1.558399|1.524720|2.800329|2.300897|3.950654|2.758198|23.134411|4.381649|5.908279|7.754845|7.611305|7.875075|5.223430|4.905607|3.948002|3.508400|3.597878|4.275608|6.568871|12.452360|0.246475|36.858105| |1.707706|1.792616|0.048558|1.667740|1.676441|1.523641|1.496957|1.525929|2.824692|2.280224|3.824919|2.776403|21.967211|4.288983|6.487510|9.748457|7.945844|7.016124|4.206641|3.518496|2.947901|2.838111|3.147704|3.869455|5.435821|12.564815|0.252215|7.463296|53.358707| |1.795030|1.897773|0.051039|1.773971|1.788265|1.623507|1.592581|1.636178|3.023031|2.424755|3.999503|3.005914|23.023772|4.606613|7.546470|12.380622|8.181516|7.045472|3.998290|3.384237|2.798110|2.650904|2.902926|3.572030|5.090800|9.400030|0.185011|6.547843|25.559063|0.500000| |1.721390|1.773522|0.047793|1.637884|1.618860|1.469085|1.426686|1.475874|2.779645|2.237143|3.763423|2.694837|21.156045|3.977233|5.917580|8.002881|6.256299|6.278367|3.900076|3.166588|2.732744|2.741238|3.160945|3.888752|5.301474|7.649647|0.209830|4.954905|17.182797|0.259424|36.858105| |1.638886|1.676694|0.044792|1.568539|1.544379|1.416530|1.371008|1.441155|2.605422|2.048366|3.415530|2.427885|18.135341|3.249714|4.991123|6.320576|4.446166|4.772651|3.010774|2.551031|2.248812|2.251810|2.539812|2.998568|4.467374|4.962315|0.131938|3.778309|10.377654|0.200351|12.512950|36.858105| |1.462077|1.501549|0.040318|1.421038|1.411893|1.309798|1.279295|1.334002|2.304002|1.796321|3.016366|2.089681|15.574281|2.715867|4.093834|5.080851|3.663799|4.017335|2.618973|2.301786|2.063705|2.055679|2.264739|2.588702|4.143048|4.330269|0.115191|3.619070|8.798352|0.164988|7.567107|12.469612|36.858105| |1.452681|1.512264|0.040768|1.439139|1.448586|1.346786|1.328326|1.368676|2.328167|1.818559|3.049600|2.127345|15.916673|2.815767|4.273140|5.464875|3.951779|4.211343|2.720688|2.439819|2.163250|2.106774|2.271947|2.596893|4.227448|4.904141|0.122385|4.373139|10.416208|0.199305|6.551208|7.608983|12.470182|36.858105| |1.512455|1.585493|0.043079|1.495014|1.512182|1.393895|1.380674|1.400506|2.455660|1.951566|3.297151|2.306439|17.891990|3.260715|4.829092|6.469451|5.079300|5.154760|3.330775|2.965081|2.585751|2.493644|2.688300|3.119653|4.916899|7.437252|0.176637|6.567522|17.246807|0.257133|7.701586|6.505119|7.513778|12.483945|36.858105| |17.532086|8.780004|0.173645|6.809007|4.468227|3.582390|2.846110|3.485595|9.414054|5.147286|8.119423|4.037495|22.064122|2.625305|3.569145|3.027113|2.066495|3.033813|2.066048|1.951384|1.795406|1.745650|1.824343|1.989783|3.610085|1.779509|0.047814|1.650686|2.346069|0.050574|1.748790|1.683597|1.497095|1.479626|1.526649|0.500000| |17.577555|8.814690|0.214487|5.477319|4.035902|3.160553|2.642391|2.911018|9.593838|6.231958|11.160463|4.431050|25.574406|2.849667|3.703961|3.117581|2.179341|3.298239|2.297605|2.175274|2.017916|1.973080|2.061084|2.231104|4.078098|1.865311|0.050648|1.727546|2.409459|0.051366|1.798023|1.697109|1.504315|1.487308|1.557302|0.300469|0.500000| |17.557865|8.805864|0.213027|6.827251|4.554951|3.673183|2.933546|3.326816|7.616529|4.535454|7.986500|3.429883|20.099087|2.343893|3.105543|2.674749|1.866311|2.769336|1.936595|1.868704|1.750623|1.701643|1.751175|1.870545|3.564783|1.627818|0.044039|1.532361|2.120924|0.045269|1.569771|1.499983|1.350017|1.341817|1.393867|0.301138|0.301411|0.500000| |6.828619|8.877269|0.174350|17.503814|8.774848|6.601927|4.422442|6.639160|9.650819|4.735839|7.111204|3.878746|20.552472|2.524580|3.521901|2.997657|2.016303|2.911551|1.956790|1.893087|1.725365|1.636240|1.674820|1.828071|3.381707|1.742501|0.045982|1.655999|2.301948|0.050259|1.668328|1.614045|1.458957|1.472297|1.516139|0.202774|0.140235|0.167382|0.500000| |7.110477|8.952449|0.211352|17.531718|8.862729|6.894148|4.596152|5.589597|7.694489|4.212835|6.964982|3.307260|18.802435|2.257457|3.057399|2.641199|1.819640|2.660017|1.835189|1.803592|1.673668|1.591472|1.611619|1.727806|3.327991|1.591715|0.042424|1.527015|2.080515|0.044866|1.507895|1.448695|1.319773|1.332445|1.380590|0.175797|0.143659|0.212926|0.304685|0.500000| |4.619767|6.983194|0.215062|8.905602|17.513251|8.876148|7.155976|5.479895|7.880666|4.748803|7.967687|3.739045|21.556082|2.541209|3.388771|2.902634|2.012635|2.979541|2.058607|2.081078|1.914006|1.770245|1.754476|1.882099|3.678169|1.747485|0.046125|1.711795|2.240533|0.048435|1.585382|1.499747|1.374417|1.412980|1.486433|0.112403|0.110591|0.123258|0.173551|0.209890|0.500000| |4.436886|6.658717|0.169020|8.814486|17.505803|8.854057|6.882925|6.841211|9.411399|5.245967|7.827139|4.435740|23.515430|2.865662|3.962944|3.334512|2.246720|3.274014|2.188502|2.177004|1.955627|1.800271|1.804146|1.975164|3.691011|1.923189|0.050035|1.872753|2.490877|0.054693|1.751569|1.666496|1.518914|1.568044|1.641275|0.116558|0.106261|0.110543|0.211879|0.173512|0.304340|0.500000| |3.720541|4.580103|0.123512|6.878043|8.908520|17.493584|8.933100|8.919694|5.188020|3.137002|5.230104|2.687171|15.896740|1.985861|2.720312|2.403970|1.658065|2.385620|1.648416|1.651466|1.536916|1.443228|1.439917|1.533866|3.036104|1.473463|0.038990|1.444433|1.931353|0.041739|1.376933|1.329257|1.231348|1.260056|1.302439|0.098251|0.087042|0.106547|0.166518|0.211295|0.212935|0.174381|0.500000| |2.848197|3.603180|0.099152|4.474357|6.830812|8.766883|17.518960|6.837031|4.857470|3.140744|5.115400|2.903182|17.315219|2.233032|3.101480|2.750955|1.881780|2.679955|1.824693|1.859213|1.700167|1.557088|1.534758|1.649958|3.242671|1.668278|0.043376|1.672275|2.174236|0.047483|1.508854|1.448250|1.352468|1.414138|1.472385|0.076198|0.071053|0.076028|0.116329|0.111913|0.175454|0.203740|0.173635|0.500000| |2.630589|3.168661|0.087528|4.022489|5.489292|8.765919|17.551238|6.932378|4.035950|2.606654|4.353461|2.379008|14.524703|1.876546|2.593768|2.335638|1.612320|2.288649|1.579375|1.605725|1.492228|1.383978|1.365673|1.452043|2.915609|1.450101|0.038069|1.449995|1.902515|0.041223|1.334133|1.289886|1.211085|1.257094|1.299586|0.070649|0.065159|0.072810|0.105248|0.109563|0.144278|0.140441|0.213558|0.301715|0.500000| |2.947024|3.719888|0.108269|4.581749|6.922874|8.752689|17.545964|5.489814|4.666616|3.055272|5.206441|2.697658|16.566330|2.075222|2.809998|2.497392|1.740229|2.516216|1.750613|1.798847|1.673054|1.539901|1.507879|1.599287|3.238410|1.550772|0.040806|1.553084|2.003813|0.043254|1.401990|1.338117|1.249450|1.297916|1.357778|0.076292|0.073465|0.081317|0.110616|0.122891|0.216500|0.169924|0.213363|0.301418|0.301734|0.500000| |3.789713|4.411446|0.106121|6.655160|6.686975|8.708732|5.483378|17.562709|5.436060|3.148073|4.959264|2.827743|16.033565|2.069902|2.932605|2.587019|1.742030|2.457741|1.659166|1.626162|1.493257|1.411060|1.430865|1.547373|2.943617|1.541393|0.040506|1.490651|2.060278|0.045038|1.478477|1.449897|1.335707|1.359333|1.385101|0.110687|0.087366|0.102695|0.228175|0.175117|0.137576|0.166090|0.213593|0.139018|0.141781|0.122342|0.500000| |2.912741|3.389723|0.087032|4.611048|5.450452|8.783851|7.004562|17.552852|4.308511|2.650873|4.280302|2.441472|14.372504|1.883064|2.661731|2.388771|1.620310|2.272279|1.544466|1.534225|1.415854|1.329690|1.334925|1.433561|2.788282|1.451567|0.038069|1.425530|1.937980|0.042282|1.376133|1.349800|1.259174|1.293510|1.318511|0.082292|0.070094|0.080045|0.136563|0.125011|0.123231|0.140508|0.212210|0.172033|0.211366|0.142190|0.302818|0.500000| |3.265037|3.990534|0.099111|5.443127|6.792254|8.768102|6.791312|17.510850|5.417444|3.237567|5.015222|3.032723|17.082035|2.246385|3.226034|2.842168|1.894978|2.653982|1.770534|1.746936|1.586192|1.479284|1.491558|1.623819|3.066249|1.670051|0.043379|1.631921|2.229019|0.049163|1.573592|1.538895|1.423145|1.467659|1.500047|0.093207|0.078510|0.085558|0.169799|0.130876|0.140484|0.204017|0.173540|0.200635|0.168268|0.139027|0.301196|0.301848|0.500000| |6.448820|8.984248|0.181581|7.275480|6.031321|4.283473|3.512315|4.150567|26.036419|9.438736|10.863899|7.609607|31.768367|3.730634|5.237952|4.137483|2.714636|4.006768|2.591661|2.445768|2.155090|2.024816|2.101458|2.369961|4.076475|2.238225|0.058430|2.081820|2.917342|0.064471|2.108260|1.999064|1.762858|1.781346|1.861720|0.183570|0.159276|0.135100|0.214954|0.145816|0.143219|0.196222|0.104309|0.101026|0.083085|0.092146|0.120970|0.093331|0.123333|0.500000| |4.184164|4.632545|0.116027|3.753282|3.479057|2.786766|2.516901|2.722217|9.528069|8.824436|11.011538|17.616495|56.256303|6.670561|9.346072|6.344747|4.034031|6.196563|3.707281|3.248288|2.728512|2.575531|2.778741|3.336401|4.991391|3.066331|0.079558|2.698489|3.919704|0.087275|2.870245|2.620319|2.212687|2.215994|2.368170|0.117383|0.123293|0.094036|0.106082|0.087740|0.091889|0.109747|0.070308|0.073758|0.061763|0.068085|0.077254|0.065672|0.081318|0.207462|0.500000| |3.748979|4.627996|0.120843|3.972442|4.063156|3.185244|2.971062|3.037734|9.612915|8.819497|10.959836|17.622026|56.238593|6.692055|9.345899|6.353990|4.045643|6.220239|3.713945|3.468245|2.853975|2.575545|2.663613|3.144963|4.989989|3.081495|0.077905|2.857534|3.849122|0.086611|2.668889|2.424197|2.111689|2.187723|2.368634|0.101421|0.105002|0.087150|0.108753|0.090662|0.108395|0.137913|0.077763|0.090134|0.071299|0.080509|0.082780|0.072651|0.093142|0.206580|0.302365|0.500000| |2.062182|2.275718|0.065472|2.043899|2.131055|1.865492|1.882155|1.753946|3.589937|3.157982|5.746350|3.703340|37.163046|5.776089|6.102943|5.954176|5.401569|9.768572|8.913276|17.731147|8.923109|5.677038|4.939503|5.635807|9.625249|4.644169|0.123297|5.036614|4.681933|0.094367|3.001016|2.465179|2.247842|2.427487|2.937212|0.054661|0.060273|0.052382|0.054537|0.051791|0.061338|0.064689|0.048192|0.055819|0.047571|0.053555|0.047237|0.044917|0.051489|0.070590|0.091504|0.103750|0.500000| |1.800311|1.935578|0.056563|1.742563|1.796449|1.598055|1.615064|1.492605|2.913155|2.501309|4.754086|2.707337|25.417338|3.534636|3.985969|3.945159|3.441569|5.654864|5.635461|8.866120|17.754112|8.953800|5.634983|4.943334|16.750839|3.306741|0.095671|3.536660|3.563539|0.069649|2.410571|2.027272|1.889177|1.994256|2.357190|0.047355|0.053048|0.046729|0.046163|0.045222|0.052372|0.052910|0.042124|0.046940|0.041323|0.046524|0.040402|0.038665|0.043015|0.056508|0.068735|0.073421|0.213012|0.500000| |1.812276|1.843502|0.052427|1.628277|1.599306|1.421502|1.386603|1.358730|2.773094|2.365563|4.444331|2.587494|23.962313|3.458762|3.961820|4.006910|3.535512|5.656021|5.634042|4.941504|5.635111|8.955038|17.753228|8.861594|16.760568|3.471374|0.113287|3.115753|3.911468|0.073407|2.978601|2.437419|2.180731|2.149370|2.497002|0.048590|0.054879|0.046762|0.044023|0.042538|0.045519|0.046560|0.037860|0.039756|0.035719|0.039227|0.037702|0.035122|0.038959|0.054359|0.070596|0.066395|0.107352|0.124526|0.500000| |2.083934|2.133087|0.059366|1.867903|1.823161|1.600809|1.545319|1.547766|3.342279|2.902636|5.233339|3.419557|33.098877|5.470850|6.022225|6.171027|5.781558|9.778963|8.913295|5.635052|4.941059|5.678661|8.925107|17.725183|9.628220|5.123438|0.169883|3.988774|5.560370|0.104272|4.397406|3.340767|2.792817|2.720836|3.215932|0.056685|0.063137|0.052514|0.051156|0.047918|0.051079|0.054026|0.042108|0.044739|0.039537|0.043186|0.043101|0.039625|0.044940|0.066621|0.096263|0.086402|0.124101|0.107380|0.212991|0.500000| |1.527039|1.624515|0.045002|1.520506|1.561486|1.429740|1.437120|1.406390|2.508920|2.038871|3.524552|2.389183|19.694961|3.539473|4.785508|6.032552|5.514375|6.091654|4.300952|4.135445|3.567914|3.267447|3.329989|3.774317|6.306141|8.733922|0.214313|17.612806|9.002063|0.153653|4.639010|3.644395|3.681170|4.531017|7.021980|0.042027|0.043874|0.039230|0.042064|0.039034|0.043393|0.047071|0.037119|0.042652|0.037379|0.039812|0.038238|0.036744|0.041635|0.051759|0.065323|0.068307|0.115337|0.090627|0.082112|0.098851|0.500000| |1.682339|1.820643|0.050185|1.711797|1.778338|1.620381|1.634954|1.597687|2.862560|2.327652|3.944618|2.805470|22.693864|4.291968|6.087273|8.011877|6.874245|7.096357|4.462657|4.311797|3.475394|3.049934|3.086733|3.628203|5.815194|8.762097|0.173207|17.583867|9.229651|0.187934|4.468543|3.627861|3.522340|4.418352|6.255330|0.046364|0.047971|0.042887|0.047467|0.043450|0.049159|0.054470|0.041590|0.049145|0.042264|0.045051|0.043166|0.041519|0.047862|0.059628|0.075944|0.082836|0.130001|0.088848|0.075119|0.095237|0.298785|0.500000| |1.710244|1.843155|0.051518|1.703669|1.760233|1.587824|1.599116|1.541372|2.881375|2.399969|4.181227|2.855526|24.909426|4.588472|5.784857|7.005906|7.060660|8.577036|6.257470|6.402940|4.952048|4.157903|4.089866|4.799744|7.583537|8.948632|0.213408|17.611487|7.496770|0.139742|4.141367|3.220540|3.043932|3.512868|4.818293|0.046582|0.049388|0.043683|0.046668|0.043449|0.049345|0.053389|0.041059|0.047599|0.041176|0.044607|0.041741|0.039964|0.045640|0.058790|0.075978|0.081708|0.185743|0.122065|0.095153|0.117222|0.303628|0.302210|0.500000| 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