Version2.1 2021-01-14T14:17:18Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 08-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CNS(=O)(=O)Cc1ccccc1C[NH2+][C@H](c2ccccc2)C(=O)C3=c4ccccc4=[NH+]C3 C39734787 RHF 6-31G(d) (6D,7F) CNS(=O)(=O)Cc1ccccc1C[NH2+][C@H](c2ccccc2)C(=O)C3=c4ccccc4=[NH+]C3 C01[X(C25H27N3O3S1)] 171 C1 538 CNS(=O)(=O)Cc1ccccc1C[NH2+][C@@H](C(=O)C1=c2ccccc2=[NH+]C1)c1ccccc1 CNS(=O)(=O)Cc1ccccc1C[NH2+][C@@H](C(=O)C1=c2ccccc2=[NH+]C1)c1ccccc1 CN[S](=O)(=O)Cc1ccccc1C[NH2+][C@@H](C(=O)C2=C3C=CC=CC3=[NH+]C2)c4ccccc4 InChIKey=SQTHCAQULXHWHT-XMMPIXPASA-P InChI=1S/C25H25N3O3S/c1-26-32(30,31)17-20-12-6-5-11-19(20)15-28-24(18-9-3-2-4-10-18)25(29)22-16-27-23-14-8-7-13-21(22)23/h2-14,24,26,28H,15-17H2,1H3/p+2/t24-/m1/s1 InChI=1/C25H25N3O3S/c1-26-32(30,31)17-20-12-6-5-11-19(20)15-28-24(18-9-3-2-4-10-18)25(29)22-16-27-23-14-8-7-13-21(22)23/h2-14,24,26,28H,15-17H2,1H3/p+2/t24-/m1/s1/fC25H27N3O3S/h27-28H/q+2 CNS(=O)(=O)Cc1ccccc1C[NH2+][C@H](c2ccccc2)C(=O)C3=c4ccccc4=[NH+]C3 C01[X(C25H27N3O3S1)] 171 C01 538 CNS(=O)(=O)Cc1ccccc1C[NH2+][C@@H](C(=O)C1=c2ccccc2=[NH+]C1)c1ccccc1 CN[S]([O])([O])C[C]1[CH][CH][CH][CH][C]1C[NH2][C@@H](C(=O)C1=[C]2[CH]=[CH][CH]=[CH][C]2[NH]C1)[C]1[CH][CH][CH][CH][CH]1 CN[S]([O])([O])C[C]1[CH][CH][CH][CH][C]1C[NH2][C@H]([C]2[CH][CH][CH][CH][CH]2)C(=O)C3=C4C=CC=C[C]4NC3 InChIKey=BHNWNWLJOWQZPH-XMMPIXPASA-N InChI=1S/C25H27N3O3S/c1-26-32(30,31)17-20-12-6-5-11-19(20)15-28-24(18-9-3-2-4-10-18)25(29)22-16-27-23-14-8-7-13-21(22)23/h2-14,24,26-27H,15-17,28H2,1H3/t24-/m1/s1 InChI=1/C25H27N3O3S/c1-26-32(30,31)17-20-12-6-5-11-19(20)15-28-24(18-9-3-2-4-10-18)25(29)22-16-27-23-14-8-7-13-21(22)23/h2-14,24,26-27H,15-17,28H2,1H3/t24-/m1/s1 3457.0860952877 -1747.3185977 1-A 15689.8998 118 420 538 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0.8194 0.6733 0.7575 0.5750 0.7993 0.5698 0.8250 0.8454 0.8550 0.5375 0.8494 0.8409 0.8554 0.8104 0.5519 0.2037 0.0815 0.4781 0.1787 0.8004 0.2120 0.5396 0.7890 0.8462 0.1243 0.8349 0.7487 0.4478 0.8384 0.2958 0.3251 0.7408 0.7869 0.1162 0.5138 0.7036 0.7791 0.7035 0.7639 0.2531 0.2596 0.6925 0.6033 0.8245 0.2870 0.2351 0.8532 0.7530 0.2201 0.7102 0.6848 0.8571 0.7080 0.4969 0.1638 0.7223 0.6475 0.8571 0.8292 0.8151 0.6678 0.8479 0.5308 0.1299 0.6886 0.4537 0.4654 0.7778 0.8354 0.8455 0.2298 0.5306 0.8563 0.5799 0.4153 0.2907 0.7149 0.3279 0.8482 0.8555 0.7816 0.5126 0.3022 0.7588 0.5489 0.7163 0.4563 0.4316 0.8571 0.7731 0.7783 0.6736 0.8547 0.6365 0.8340 0.7662 0.7798 0.2261 0.2928 0.5532 0.5396 0.8467 0.4318 0.7052 0.8515 0.8494 0.4930 0.2328 0.2978 0.0433 0.1760 0.8041 0.7270 0.1069 0.8532 0.8060 0.7486 0.5093 0.5791 0.6147 0.8277 0.6488 0.7700 0.8434 0.8106 0.8525 0.4644 0.1358 0.8422 0.2369 0.2716 0.4029 0.5708 0.4231 0.5199 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 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 6 7 16 8 8 6 6 6 6 6 6 6 6 7 1 1 6 1 6 6 6 6 6 6 6 8 6 6 6 6 6 6 6 7 1 6 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 14.00307 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 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 10333.3261 21071.9145 25601.1100 0.99998 -0.00635 0.00207 0.00635 0.99998 0.00178 -0.00208 -0.00176 1.00000 1 0.00838 0.00411 0.00338 0.17465 0.08565 0.07049 18.96 20.70 29.09 56.35 62.10 72.38 86.60 90.44 113.12 126.34 152.16 171.38 180.58 203.60 219.35 227.32 274.98 290.48 314.90 333.71 373.83 383.96 391.87 426.08 448.41 498.51 520.43 542.92 556.63 606.75 609.50 625.23 645.64 657.48 705.06 714.62 726.01 751.83 763.21 807.94 820.09 847.85 865.61 872.37 902.79 914.74 951.38 969.22 970.41 983.50 1094.64 1122.49 1128.77 1134.99 1171.24 1194.58 1203.78 1221.15 1237.79 1247.15 1266.26 1280.31 1328.65 1358.93 1368.85 1374.13 1377.16 1394.91 1418.84 1442.82 1458.84 1497.61 1515.47 1525.36 1551.26 1563.93 1573.45 1587.52 1614.21 1617.63 1627.56 1631.62 1638.73 1654.80 1664.64 1667.81 1670.49 1672.63 1717.93 1731.38 1745.06 1756.12 1764.89 1779.95 1797.73 1799.54 1827.24 1828.62 1863.35 1866.64 1870.79 1883.13 1890.02 1897.96 1905.07 1919.15 1922.87 1944.28 1970.05 1995.79 2059.20 2067.26 2075.65 2126.90 2135.71 2154.71 2165.36 2205.64 2216.05 2266.12 2269.10 2281.33 2284.77 2302.56 2307.84 2318.52 2332.96 2335.62 2349.55 2359.06 2382.21 2392.17 2400.78 2404.72 2428.19 2526.96 2559.64 2563.41 2573.65 2583.37 2593.87 2631.20 2657.77 2879.87 4649.27 4675.19 4700.72 4727.37 4758.82 4764.08 4790.89 4795.41 4819.68 4822.70 4827.42 4831.95 4852.61 4860.98 4876.35 4885.62 4888.84 4890.34 4905.81 4905.86 4909.37 4916.87 4974.76 5067.10 5348.35 5482.32 5521.50 0.524612 0.551773 0.552717 0.462974 -1746.793986 -1746.766825 -1746.765880 -1746.855624 3.010029D-04 MUNgauss RevisionA2.0 retrievium 14-Jan-2021 DUDE CNS(=O)(=O)Cc1ccccc1C[NH2+][C@H](c2ccccc2)C(=O)C3=c4ccccc4=[NH+]C3 C39734787 RHF 6-31G(d) (6D,10F) C1 449.177314 |X|Y|Z| 64.646833 41.687828 98.857388 64.346049 25 6 7 23 2 |36.858105| |12.973640|53.358707| |7.092112|16.069435|388.023441| |4.999191|10.524302|93.802167|73.516695| |6.380998|10.227097|93.658076|13.843368|73.516695| |5.386506|9.556353|75.033978|12.796845|12.818707|36.858105| |4.216894|6.517998|47.877424|9.220595|11.417546|12.550334|36.858105| |3.937997|5.552577|35.150780|6.893096|8.833931|7.685430|13.729469|36.858105| |3.140598|4.333902|26.768629|5.592275|7.061468|5.043683|7.869864|13.740597|36.858105| |2.766172|3.908697|24.887722|5.446569|6.710238|4.416380|6.802778|7.953013|13.794521|36.858105| |2.857763|4.204812|28.409914|6.402618|7.670865|4.966623|7.900106|6.931579|7.984099|13.756125|36.858105| |3.416188|5.283368|39.084064|8.613512|10.121233|7.373385|13.585695|7.947744|6.849859|7.880121|13.721273|36.858105| |3.216291|5.202191|39.926868|10.272688|10.028053|6.186244|7.453992|5.005846|4.443075|5.049579|7.682731|12.627320|36.858105| |3.291201|5.204810|39.816633|10.219904|11.783223|5.029946|5.656753|4.204608|3.830116|4.295335|5.925240|7.706100|12.557093|53.358707| |3.892383|6.124659|49.578712|11.374505|17.599692|5.669753|6.227719|4.599976|4.036514|4.307748|5.585717|7.473632|9.195394|25.438033|0.500000| |2.943758|4.462172|31.816995|7.868234|9.651076|4.216244|5.000462|3.984412|3.847273|4.529850|6.294148|6.966636|9.149038|25.695376|0.328277|0.500000| |3.010515|4.833886|34.651762|10.252227|9.500331|4.056985|4.109697|3.231695|2.957417|3.224581|4.107899|4.966575|7.472295|17.311708|0.256611|0.255633|36.858105| |3.309909|5.578998|40.990387|14.041833|10.256597|4.465701|4.184636|3.237918|2.869796|3.026856|3.763552|4.742860|6.954648|12.555200|0.226381|0.181790|17.629589|0.500000| |2.461760|3.883022|26.066929|7.673764|6.763013|3.337902|3.443922|2.803258|2.647947|2.953275|3.745499|4.234873|6.225330|10.337555|0.156811|0.192111|12.547527|0.246102|36.858105| |2.332188|3.736025|24.404014|7.510918|5.933513|3.203493|3.185467|2.606491|2.437769|2.669119|3.308361|3.775220|5.373469|7.448944|0.122725|0.134850|7.574282|0.203654|13.694091|36.858105| |2.000436|3.134013|19.680874|5.806516|4.800163|2.673539|2.696894|2.282677|2.181789|2.402182|2.905487|3.159731|4.151632|5.560572|0.094982|0.107201|5.021704|0.132940|7.914933|13.746353|36.858105| |1.834207|2.809186|17.464776|4.946713|4.389984|2.392496|2.482912|2.148071|2.102440|2.353763|2.823364|2.939299|3.712359|5.128978|0.087824|0.104721|4.435197|0.110765|6.859694|7.937149|13.744177|36.858105| |1.894204|2.868433|18.032770|4.989040|4.692302|2.445599|2.598162|2.253176|2.231875|2.540688|3.079176|3.139384|3.958362|5.831176|0.098001|0.125566|5.009259|0.116209|7.916958|6.865901|7.926278|13.730422|36.858105| |2.167512|3.306535|21.439228|5.946081|5.729792|2.829024|3.023358|2.560838|2.506379|2.860760|3.568091|3.736236|4.964918|8.129073|0.129335|0.178228|7.523283|0.154948|13.671291|7.914322|6.861358|7.933922|13.761638|36.858105| |2.900549|4.444299|29.664075|8.161432|8.805358|3.362195|3.410802|2.838080|2.646725|2.851524|3.442564|3.906391|4.965107|10.684608|0.205509|0.203618|12.478433|0.245772|7.575185|5.197346|3.963583|3.758794|4.414765|6.367190|36.858105| |2.855903|4.205998|27.583083|7.019818|8.717393|3.220849|3.398937|2.905968|2.769617|3.012374|3.583838|3.902685|4.611734|9.903812|0.204098|0.219499|8.067873|0.169639|5.752259|4.133417|3.357021|3.319824|3.997892|5.560038|16.014279|73.516695| |2.663665|4.059217|25.278216|7.186827|7.063073|2.844633|2.780594|2.374782|2.212453|2.336174|2.722798|3.049037|3.723661|6.785469|0.135433|0.129467|7.293117|0.187897|5.848744|4.659718|3.720040|3.497459|3.920673|5.076618|12.692634|14.468460|36.858105| |2.425614|3.568687|21.223354|5.776087|5.979115|2.438154|2.400547|2.111720|1.993327|2.092671|2.375315|2.587543|3.008898|5.245813|0.107487|0.104660|4.913494|0.127917|4.270768|3.573325|3.051615|2.973402|3.337744|4.062155|7.538328|11.760334|14.151329|36.858105| |2.288335|3.258453|19.095082|4.962521|5.524335|2.246689|2.260169|2.033764|1.951378|2.052705|2.289151|2.429069|2.722437|4.706619|0.098025|0.098006|4.023438|0.102220|3.549364|2.963920|2.609580|2.620879|2.997545|3.576853|5.906906|11.248530|7.390458|13.115959|36.858105| |2.053171|2.883909|16.402719|4.243402|4.637309|1.960417|1.961134|1.793008|1.728296|1.803653|1.976998|2.078352|2.287215|3.789189|0.078937|0.078651|3.158111|0.082499|2.887192|2.510619|2.272051|2.292278|2.566567|2.928825|4.197852|7.810248|5.144935|7.966489|14.251536|36.858105| |1.936026|2.740233|15.317978|4.037177|4.199691|1.831647|1.802994|1.647141|1.577654|1.635086|1.788419|1.893931|2.094003|3.378776|0.069929|0.068774|2.860268|0.076952|2.671560|2.406365|2.202522|2.196744|2.391694|2.661378|3.612771|6.325293|4.648608|6.842310|7.801745|13.057523|36.858105| |1.997257|2.881710|16.125875|4.365366|4.330384|1.908497|1.851869|1.672734|1.586937|1.641530|1.810787|1.943863|2.185374|3.506206|0.072024|0.069962|3.066776|0.084373|2.882618|2.647064|2.407439|2.355786|2.515961|2.795261|3.809461|6.294949|5.282365|7.565757|6.546101|7.687092|14.099261|36.858105| |2.231801|3.293282|18.922752|5.252452|5.094477|2.193591|2.118328|1.877986|1.766584|1.835821|2.059760|2.245665|2.591140|4.265545|0.087017|0.083750|3.936526|0.108691|3.621847|3.264407|2.870081|2.757604|2.961273|3.402850|5.111918|7.894766|8.415177|12.981790|7.579242|6.830782|8.100317|13.440035|36.858105| |2.295055|3.478575|20.076640|5.816815|5.216041|2.313091|2.194079|1.920009|1.787596|1.853048|2.096843|2.323027|2.736472|4.416382|0.088898|0.084316|4.236313|0.122768|3.962448|3.734670|3.232030|2.989652|3.100912|3.538328|5.073449|7.336736|8.311283|8.426450|5.281935|4.676641|5.283974|7.749049|14.616962|53.358707| |2.155224|3.264704|18.440452|5.358637|4.681503|2.154784|2.027757|1.786597|1.662972|1.714840|1.925274|2.127245|2.480865|3.874955|0.077956|0.073953|3.605665|0.106271|3.470052|3.419998|3.044956|2.796340|2.822211|3.114450|4.061916|6.050314|5.839631|5.902676|4.224662|3.963937|4.666147|6.854452|9.324954|25.939827|0.500000| |2.563642|4.007478|24.296999|7.367513|6.286516|2.744141|2.593403|2.209677|2.036938|2.126400|2.463490|2.792621|3.436762|5.720320|0.112737|0.105438|6.106314|0.183189|5.465634|5.018468|4.002966|3.558612|3.705146|4.467649|7.141304|9.085339|12.673014|8.171391|5.047822|4.103080|4.151544|5.188938|8.344063|17.916740|0.244451|36.858105| |17.626035|12.362052|46.616233|7.994350|11.020305|5.887177|4.775143|4.714793|3.646736|3.088596|3.106029|3.684821|3.294181|4.483597|0.108170|0.082989|2.904427|0.086706|2.399506|2.261299|1.953764|1.805853|1.872919|2.137490|2.769405|4.935649|2.489856|2.270633|2.171074|1.946845|1.819907|1.860582|2.070054|2.877713|0.055059|2.365800|0.500000| |17.622699|12.192863|44.698028|8.265018|11.791260|4.553582|3.828257|3.578757|2.960996|2.664748|2.763483|3.244006|3.104027|4.523101|0.110911|0.083513|3.074756|0.092706|2.482053|2.311670|1.980288|1.831106|1.911235|2.203062|3.080997|5.475252|2.848008|2.631692|2.510697|2.249502|2.103623|2.152400|2.399153|3.305090|0.062805|2.686385|0.300259|0.500000| |17.651074|12.566616|38.061837|7.504253|8.396104|4.434324|3.530347|3.376990|2.761351|2.439882|2.495107|2.919193|2.774698|3.814286|0.089229|0.070399|2.623366|0.080092|2.203117|2.121024|1.844948|1.692247|1.732183|1.953722|2.536267|4.415679|2.386275|2.201371|2.079242|1.895665|1.811343|1.873392|2.066645|2.902646|0.056370|2.340406|0.302381|0.298762|0.500000| |8.978166|25.907962|61.926618|13.760921|10.676138|5.526575|3.974730|3.406040|2.756104|2.541158|2.752173|3.396773|3.489180|4.801560|0.111952|0.084106|3.451677|0.113289|2.809210|2.753178|2.311882|2.053361|2.075130|2.375455|3.198461|5.264967|3.029852|2.666069|2.394634|2.134788|2.061000|2.197463|2.515506|3.675442|0.071150|3.090880|0.178262|0.203064|0.223352|0.500000| |6.100886|9.992466|57.788916|10.048454|10.635887|17.643145|8.917703|7.564599|4.880962|4.020658|4.193409|5.532914|4.609503|5.406891|0.124109|0.096520|3.334132|0.100870|2.811986|2.721269|2.329457|2.108177|2.148440|2.442364|2.891558|4.996821|2.515740|2.207672|2.059950|1.823745|1.712322|1.775685|2.010622|2.866845|0.054985|2.439418|0.199909|0.133979|0.142136|0.155033|0.500000| |4.474613|8.156904|58.265866|13.120531|9.900109|17.587616|8.730344|5.924638|4.304504|3.945450|4.528731|6.518603|6.152953|6.392484|0.137222|0.108708|3.997364|0.125347|3.420234|3.428459|2.864072|2.506683|2.502244|2.850172|3.212412|5.329746|2.770578|2.357009|2.142126|1.878615|1.776081|1.869799|2.153841|3.142750|0.060312|2.753808|0.129102|0.106451|0.108355|0.144069|0.304497|0.500000| |4.315964|5.832193|33.819500|6.525215|8.187269|7.208469|8.926558|17.726210|8.966008|5.667794|4.983281|5.645252|4.067457|4.834537|0.108982|0.092885|2.864307|0.081217|2.492508|2.351622|2.074354|1.945719|2.022354|2.275105|2.567312|4.648447|2.202675|1.980418|1.910232|1.702108|1.574987|1.600151|1.782482|2.481547|0.047442|2.072943|0.151126|0.105465|0.104200|0.098069|0.238296|0.155074|0.500000| |2.904882|3.894196|22.923855|4.841733|6.019631|4.131375|5.625500|8.929303|17.738569|8.920057|5.661875|4.941714|3.553143|4.316343|0.092815|0.089087|2.546017|0.068909|2.308390|2.143706|1.946164|1.888100|1.996950|2.210737|2.330956|4.351804|1.987754|1.817673|1.795671|1.609064|1.473172|1.474943|1.624306|2.226861|0.042498|1.838225|0.094238|0.076309|0.072340|0.069435|0.116646|0.100170|0.217129|0.500000| |2.418597|3.375116|20.877604|4.675465|5.638295|3.536574|4.917372|5.647685|8.910924|17.741126|8.916522|5.624424|4.127075|4.988613|0.100639|0.110192|2.865852|0.074106|2.695936|2.442662|2.246642|2.243900|2.434611|2.688104|2.593329|4.914695|2.154606|1.957530|1.942720|1.721789|1.559380|1.555597|1.723592|2.352601|0.044557|1.959677|0.074260|0.065393|0.060137|0.061874|0.091454|0.090022|0.124467|0.214147|0.500000| |2.524605|3.719063|24.717907|5.835180|6.690228|4.042532|5.625137|4.980327|5.672669|8.952074|17.689136|8.918173|7.185329|7.980207|0.142935|0.186901|4.201847|0.103132|4.050820|3.514351|3.145461|3.144820|3.510256|4.042393|3.521000|6.540114|2.770969|2.418532|2.336760|2.013571|1.816053|1.835535|2.088960|2.886561|0.053979|2.492115|0.074690|0.068692|0.061967|0.069089|0.096021|0.106515|0.108006|0.124482|0.216158|0.500000| |2.722746|4.304402|30.507770|8.099737|7.652009|4.727898|5.613677|4.212729|3.989921|4.754907|7.219299|8.842013|17.671049|12.353134|0.181058|0.226383|6.687157|0.164248|6.810433|5.997018|4.808344|4.368158|4.651770|5.689778|4.550155|7.522095|3.502695|2.861466|2.598837|2.200384|2.022675|2.110444|2.486936|3.577931|0.066605|3.269580|0.077306|0.073392|0.066743|0.082022|0.104460|0.136004|0.096782|0.090792|0.113114|0.219702|0.500000| |3.414265|5.830091|46.196407|13.435112|10.135425|7.012981|6.938314|4.632709|3.922023|4.171482|5.645986|8.754035|17.677239|12.379644|0.213771|0.180921|7.212428|0.220540|5.988028|5.750217|4.292143|3.628588|3.683800|4.481404|4.706356|7.390911|3.726258|2.976812|2.630107|2.229000|2.077645|2.202835|2.626948|3.871904|0.072344|3.619512|0.095053|0.089737|0.082267|0.110449|0.139739|0.216189|0.109672|0.089461|0.096498|0.144793|0.302453|0.500000| |2.510751|4.134042|27.069815|8.889910|6.267601|3.497955|3.321970|2.680808|2.447831|2.617693|3.208404|3.798082|5.371722|7.108034|0.122473|0.122557|7.025473|0.225407|8.878243|17.694269|8.928641|5.647987|4.946605|5.626676|4.815673|6.786369|4.453435|3.415617|2.809252|2.402124|2.331701|2.592284|3.195869|5.108008|0.097111|5.091269|0.066910|0.068347|0.063591|0.085894|0.082014|0.106980|0.067894|0.059778|0.065776|0.091510|0.155369|0.176610|0.500000| |1.905041|2.988981|18.370996|5.440497|4.385492|2.523848|2.502747|2.139622|2.036927|2.212222|2.624411|2.857129|3.624986|4.707320|0.082956|0.090087|4.098045|0.113877|5.638038|8.925053|17.735889|8.909486|5.640290|4.947401|3.330708|5.090860|3.216789|2.702328|2.325745|2.062666|2.029547|2.228933|2.613253|4.043036|0.079796|3.566602|0.051586|0.052007|0.049305|0.061764|0.061803|0.076240|0.054600|0.050864|0.057610|0.077702|0.114005|0.107033|0.215836|0.500000| |1.667203|2.530003|15.425725|4.314869|3.860332|2.137228|2.215697|1.951177|1.924860|2.145233|2.517823|2.579355|3.130867|4.254722|0.074782|0.087464|3.547969|0.090750|4.946518|5.647503|8.919150|17.735710|8.916089|5.647338|3.118603|5.017544|2.968412|2.607469|2.340078|2.089868|2.021791|2.157672|2.466842|3.612373|0.070174|3.042961|0.045701|0.046155|0.043069|0.051467|0.053021|0.062267|0.049462|0.048521|0.057482|0.077643|0.100954|0.085352|0.124260|0.214889|0.500000| |1.749278|2.608259|16.135997|4.365681|4.240765|2.205548|2.365541|2.096055|2.109645|2.411814|2.859457|2.828954|3.400113|5.002437|0.086557|0.110812|4.085254|0.096164|5.638388|4.949824|5.641368|8.906964|17.736754|8.932488|3.828410|6.469351|3.454365|3.077436|2.866448|2.495643|2.312204|2.388485|2.739409|3.805866|0.071141|3.209678|0.048274|0.049207|0.044616|0.052268|0.054518|0.062116|0.052447|0.052974|0.065381|0.091283|0.109191|0.087023|0.107442|0.124058|0.214921|0.500000| |2.177882|3.260537|21.047424|5.629859|5.847048|2.759888|3.007308|2.587627|2.568800|2.957606|3.653179|3.714141|4.682198|8.217738|0.134432|0.199569|6.929490|0.139889|8.842979|5.620346|4.943877|5.651413|8.954717|17.688742|6.869087|11.950993|5.168691|4.302555|3.982210|3.191978|2.801048|2.860785|3.444053|4.660657|0.082705|4.190741|0.059974|0.062215|0.054259|0.064472|0.066700|0.075413|0.063684|0.063110|0.077907|0.115861|0.142841|0.113484|0.123467|0.107394|0.124395|0.216701|0.500000| |2.354519|3.320921|19.753692|5.009084|5.888684|2.348043|2.411726|2.178836|2.110103|2.238290|2.497297|2.617618|2.898583|5.125956|0.107586|0.110249|4.190379|0.103050|3.630035|2.952096|2.591114|2.631031|3.074779|3.740489|6.265350|13.848829|6.523836|8.700261|17.804848|9.019824|5.555630|4.786387|5.467044|5.828488|0.097947|4.401542|0.062854|0.071957|0.058833|0.066644|0.059626|0.061466|0.056400|0.053803|0.058965|0.071048|0.076618|0.076057|0.077019|0.063667|0.065041|0.082382|0.120681|0.500000| |1.940960|2.685782|15.154083|3.853302|4.300858|1.839651|1.857401|1.720745|1.674036|1.746207|1.891435|1.962089|2.120992|3.470221|0.072561|0.072978|2.798374|0.072845|2.577608|2.251502|2.061700|2.100090|2.355849|2.653718|3.602344|6.939075|4.104635|5.631290|9.083051|17.753146|8.752569|5.585080|4.936270|5.038369|0.090211|3.354060|0.051559|0.059132|0.049941|0.054821|0.047887|0.048759|0.045480|0.043597|0.046662|0.053535|0.056841|0.056982|0.059776|0.052232|0.053692|0.064588|0.081106|0.215541|0.500000| |1.780682|2.496096|13.768806|3.599208|3.746174|1.668102|1.643727|1.516760|1.459163|1.507226|1.632557|1.716408|1.874776|2.970991|0.061533|0.060678|2.463591|0.066586|2.328041|2.127031|1.975284|1.979152|2.137040|2.334609|3.007470|5.325977|3.682999|4.938413|5.635624|8.761729|17.725279|9.098578|5.709517|5.731343|0.108860|3.396713|0.046653|0.053604|0.046676|0.052138|0.043667|0.044979|0.040487|0.038102|0.040142|0.046010|0.050489|0.051677|0.057426|0.051057|0.051218|0.057975|0.068044|0.123686|0.215709|0.500000| |1.873199|2.704032|14.913184|4.056508|3.929168|1.781183|1.716609|1.557084|1.475923|1.520033|1.667991|1.789912|2.003109|3.141934|0.064376|0.062374|2.721946|0.076053|2.601882|2.456294|2.267825|2.206994|2.309830|2.511403|3.230501|5.313292|4.290370|5.450089|4.782880|5.504029|8.947065|17.755024|8.752051|9.262275|0.193936|4.541878|0.048394|0.055653|0.049334|0.057731|0.046316|0.048824|0.041596|0.038256|0.040083|0.046882|0.053948|0.056560|0.067492|0.059243|0.056813|0.061019|0.070307|0.104726|0.123029|0.216278|0.500000| |2.354502|3.696043|22.605046|6.925147|5.722740|2.660731|2.540157|2.159121|2.005043|2.115755|2.472515|2.784091|3.499605|5.630064|0.106193|0.104453|6.124969|0.179169|6.368075|6.257262|4.980877|4.293626|4.326219|5.088297|6.303436|8.176948|8.802759|6.200766|4.268704|3.564947|3.609568|4.397044|6.326084|12.404742|0.207102|17.570099|0.061145|0.067377|0.060039|0.078678|0.065374|0.075549|0.055935|0.050184|0.054375|0.070454|0.095516|0.102764|0.170991|0.121346|0.100026|0.101011|0.124835|0.106811|0.083134|0.084331|0.110905|0.500000| |2.876512|4.632638|27.957594|8.945946|6.965988|3.029920|2.766955|2.331671|2.109142|2.169089|2.507475|2.912197|3.578264|5.809203|0.117789|0.103168|6.006601|0.204646|5.026885|4.839343|3.778162|3.255178|3.308108|3.952396|6.329458|8.276190|8.798922|6.198308|4.268034|3.563160|3.606352|4.392053|6.319583|12.404760|0.206871|17.543207|0.072408|0.083237|0.072868|0.101743|0.074641|0.084986|0.061216|0.052744|0.054965|0.069192|0.092051|0.108570|0.147384|0.095943|0.077945|0.079653|0.102536|0.106862|0.083106|0.084256|0.110768|0.299769|0.500000| 1745.194840 -10959.527967 4218.849619 -208.921467 -5204.404975 3457.086344 -1747.318631 2.001217 408B00000000001A 44BCF783A1A73676 443F2859F4DEE261 422F91C060000001 33B011C2D10134D9 43EE13618F55CE48