Version2.1 2021-01-18T08:10:41Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 04-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)[C@@H](C(=O)Nc2ccc(cc2)F)[NH+]3CCC(CC3)C(=O)Nc4ccccc4 C09712046 RHF 6-31G(d) (6D,7F) c1ccc(cc1)[C@@H](C(=O)Nc2ccc(cc2)F)[NH+]3CCC(CC3)C(=O)Nc4ccccc4 C01[X(C26H27F1N3O2)] 171 C1 534 O=C([C@@H]([NH+]1CCC(CC1)C(=O)Nc1ccccc1)c1ccccc1)Nc1ccc(cc1)F O=C([C@@H]([NH+]1CCC(CC1)C(=O)Nc1ccccc1)c1ccccc1)Nc1ccc(cc1)F Fc1ccc(NC(=O)[C@@H]([NH+]2CCC(CC2)C(=O)Nc3ccccc3)c4ccccc4)cc1 InChIKey=NWWFEAQIIXZYHW-DEOSSOPVSA-O InChI=1S/C26H26FN3O2/c27-21-11-13-23(14-12-21)29-26(32)24(19-7-3-1-4-8-19)30-17-15-20(16-18-30)25(31)28-22-9-5-2-6-10-22/h1-14,20,24H,15-18H2,(H,28,31)(H,29,32)/p+1/t24-/m0/s1 InChI=1/C26H26FN3O2/c27-21-11-13-23(14-12-21)29-26(32)24(19-7-3-1-4-8-19)30-17-15-20(16-18-30)25(31)28-22-9-5-2-6-10-22/h1-14,20,24H,15-18H2,(H,28,31)(H,29,32)/p+1/t24-/m0/s1/fC26H27FN3O2/h28-30H/q+1 c1ccc(cc1)[C@@H](C(=O)Nc2ccc(cc2)F)[NH+]3CCC(CC3)C(=O)Nc4ccccc4 C01[X(C26H27F1N3O2)] 171 C01 534 O=C([C@@H]([NH+]1CCC(CC1)C(=O)Nc1ccccc1)c1ccccc1)Nc1ccc(cc1)F O=C([C@@H]1CC[NH](CC1)[C@H]([C]([NH][C]1[CH][CH][C]([CH][CH]1)F)=O)[C]1[CH][CH][CH][CH][CH]1)N[C]1[CH][CH][CH][CH][CH]1 F[C]1[CH][CH][C]([CH][CH]1)NC(=O)[C@H]([C]2[CH][CH][CH][CH][CH]2)[NH]3CC[C@H](CC3)C(=O)N[C]4[CH][CH][CH][CH][CH]4 InChIKey=NEHOSAQLBQODHW-DEOSSOPVSA-N InChI=1S/C26H27FN3O2/c27-21-11-13-23(14-12-21)29-26(32)24(19-7-3-1-4-8-19)30-17-15-20(16-18-30)25(31)28-22-9-5-2-6-10-22/h1-14,20,24,30H,15-18H2,(H,28,31)(H,29,32)/t24-/m0/s1 InChI=1/C26H27FN3O2/c27-21-11-13-23(14-12-21)29-26(32)24(19-7-3-1-4-8-19)30-17-15-20(16-18-30)25(31)28-22-9-5-2-6-10-22/h1-14,20,24,30H,15-18H2,(H,28,31)(H,29,32)/t24-/m0/s1/f/h28-29H 2967.1552692242 -1412.6607061 1-A 24049.6542 114 420 534 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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 6 6 6 6 6 6 1 6 8 7 6 6 6 6 6 6 9 7 1 6 6 6 6 6 6 8 7 6 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 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 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 8505.8732 37617.2924 43508.7249 0.99995 0.00992 -0.00010 -0.00992 0.99995 0.00228 0.00013 -0.00228 1.00000 1 0.01018 0.00230 0.00199 0.21218 0.04798 0.04148 14.68 15.78 24.45 31.66 37.98 52.11 76.83 92.49 97.22 104.63 117.29 164.01 203.19 217.04 256.79 260.13 320.48 333.19 348.00 397.36 429.69 450.27 480.51 502.46 525.41 546.67 566.59 602.85 654.21 656.70 670.60 676.53 690.81 705.54 723.40 771.57 791.99 804.23 815.03 840.55 846.19 903.26 921.63 963.40 974.24 977.58 1002.48 1096.69 1106.53 1112.08 1120.71 1164.32 1181.40 1218.14 1225.21 1230.98 1247.98 1261.51 1295.97 1318.16 1332.59 1342.98 1354.34 1357.62 1384.31 1391.25 1403.60 1458.73 1484.59 1485.27 1513.50 1527.25 1542.71 1546.30 1565.96 1568.06 1569.66 1577.38 1586.27 1603.12 1611.01 1618.63 1627.10 1631.37 1632.47 1654.83 1657.94 1687.26 1712.96 1716.96 1721.12 1723.60 1754.63 1758.23 1789.86 1825.85 1841.53 1845.92 1853.28 1875.11 1883.28 1884.65 1898.75 1911.43 1929.09 1973.72 1991.03 1994.25 2018.48 2032.98 2067.13 2077.00 2091.88 2101.19 2113.25 2131.30 2163.38 2180.76 2191.56 2197.35 2247.11 2250.09 2265.79 2271.96 2318.28 2322.18 2338.46 2347.83 2358.23 2368.22 2385.56 2402.40 2406.34 2440.27 2485.40 2495.84 2567.56 2593.02 2595.16 2597.89 2602.53 2622.46 2777.62 2805.95 4611.68 4660.72 4664.49 4695.57 4706.54 4730.32 4735.65 4738.56 4808.42 4823.90 4829.65 4844.79 4845.38 4850.75 4851.21 4865.92 4869.69 4885.36 4888.15 4900.35 4900.73 4907.97 4928.43 4982.96 5228.77 5543.49 5586.95 0.528793 0.554739 0.555683 0.465750 -1412.131913 -1412.105967 -1412.105023 -1412.194956 3.016368D-04 MUNgauss RevisionA2.0 retrievium 18-Jan-2021 DUDE c1ccc(cc1)[C@@H](C(=O)Nc2ccc(cc2)F)[NH+]3CCC(CC3)C(=O)Nc4ccccc4 C09712046 RHF 6-31G(d) (6D,10F) C1 432.208731 |X|Y|Z| 62.933765 30.052029 138.512964 63.985658 29 6 7 26 3 |36.858105| |13.765388|36.858105| |7.942904|13.738256|36.858105| |6.858899|7.914747|13.720999|36.858105| |7.932341|6.863513|7.924726|13.669827|36.858105| |13.722260|7.933459|6.876181|7.922148|13.777469|36.858105| |4.436450|5.025118|7.589527|12.560018|7.520148|5.011247|36.858105| |4.005228|4.814183|7.397840|8.915357|5.594798|4.199369|17.623249|0.500000| |3.770702|3.971995|5.201609|7.568641|6.391627|4.434432|12.363102|0.243500|36.858105| |3.351373|3.379584|4.156151|5.803615|5.656661|4.053735|8.057587|0.167920|15.828510|73.516695| |3.567417|3.808913|4.819348|6.111940|5.239400|4.006187|7.839728|0.200689|14.281787|14.953078|53.358707| |2.983649|3.074620|3.610932|4.301113|4.064017|3.338937|4.999984|0.131081|7.741416|11.724170|18.120196|36.858105| |2.565472|2.690754|3.105840|3.473328|3.216545|2.760907|3.990929|0.111971|5.323696|8.295073|10.732261|13.749549|36.858105| |2.233109|2.297747|2.565256|2.823221|2.707039|2.397009|3.130595|0.086789|3.980851|6.655577|7.021701|7.934127|13.772856|36.858105| |2.189912|2.195912|2.409230|2.690448|2.681268|2.394781|2.918147|0.078354|3.741968|6.588074|6.215292|6.948371|8.022582|13.821165|36.858105| |2.425572|2.382545|2.614033|3.012337|3.103621|2.733960|3.236839|0.083792|4.326435|7.919567|6.975543|7.953104|6.874228|7.900422|13.815469|36.858105| |2.872275|2.831978|3.195010|3.844108|3.950641|3.316902|4.212840|0.105670|6.227018|11.181546|10.545963|13.744638|7.925949|6.848744|8.001294|13.773645|36.858105| |1.925537|1.920243|2.070772|2.273255|2.283564|2.085198|2.428358|0.065572|2.979961|5.320950|4.719392|4.687432|5.321967|8.185600|14.405499|8.183362|5.315470|97.533100| |3.725177|4.037174|5.406574|7.493539|5.897840|4.236344|12.600123|0.253255|7.852135|13.084401|7.148923|3.919746|3.261248|2.685551|2.556371|2.829568|3.523021|4.907314|53.358707| |3.604741|3.703086|4.675044|6.643889|6.098730|4.307247|9.435404|0.185055|8.038930|16.336974|7.015525|4.011014|3.250041|2.717436|2.650858|3.008073|3.776118|5.085626|25.594363|0.500000| |3.869044|4.225331|5.400419|6.531799|5.382954|4.225300|7.465951|0.179680|5.021302|8.511996|5.256748|3.053400|2.634816|2.237499|2.146082|2.348417|2.818056|4.215396|17.257849|0.255912|36.858105| |3.076263|3.219372|3.788322|4.378360|4.025248|3.366461|4.919775|0.123396|3.924004|7.179836|4.249988|2.611361|2.295450|2.001184|1.943682|2.119833|2.476299|3.879291|10.436786|0.199261|12.504413|36.858105| |2.554036|2.709754|3.194673|3.604681|3.252390|2.748109|4.318869|0.115004|3.647985|6.727072|4.045089|2.533222|2.279548|1.996066|1.920599|2.061037|2.374070|3.850425|8.761437|0.164654|7.483259|12.420522|36.858105| |2.525732|2.678890|3.230327|3.786392|3.379204|2.764888|4.969036|0.131536|4.461430|8.497405|4.801888|2.995461|2.675824|2.312586|2.211395|2.376712|2.770740|4.377898|10.400985|0.201154|6.519216|7.609783|12.417655|36.858105| |2.921939|3.191703|4.083679|4.955040|4.081935|3.194324|7.650529|0.208135|6.299252|10.940426|6.402352|3.708768|3.248299|2.690665|2.515324|2.704161|3.265398|4.863588|17.209925|0.260224|7.728204|6.557665|7.522954|12.519056|36.858105| |2.198150|2.276783|2.582530|2.873564|2.714748|2.368382|3.283335|0.086985|2.952018|5.595040|3.372099|2.191913|1.993867|1.787063|1.742748|1.867443|2.104044|3.546834|6.027075|0.122922|4.923703|7.634250|12.447166|7.631050|4.934524|36.858105| |2.161087|2.191302|2.455674|2.780322|2.714443|2.371678|3.134838|0.080961|2.919242|5.715479|3.319648|2.190091|1.974535|1.785325|1.765288|1.911481|2.145542|3.603549|5.667874|0.122943|4.438674|6.574565|8.085983|6.511090|4.425009|15.873783|73.516695| |1.971350|2.057201|2.301583|2.481524|2.330848|2.080057|2.783138|0.075836|2.509026|4.652605|2.954535|1.942028|1.799727|1.626930|1.579066|1.670246|1.856398|3.243016|4.811508|0.095643|3.947092|5.437761|7.823055|5.481309|3.971844|14.139560|14.929069|53.358707| |1.740763|1.797522|1.972936|2.108417|2.015392|1.831041|2.316871|0.063100|2.139210|3.983641|2.565966|1.718859|1.606429|1.472764|1.438788|1.516143|1.661074|2.986622|3.843538|0.077792|3.083884|3.986887|4.988723|4.009985|3.098743|7.624374|11.493257|18.260113|36.858105| |1.663507|1.692462|1.840299|1.984872|1.935996|1.767424|2.161705|0.058053|2.039179|3.859144|2.448993|1.661218|1.547475|1.431356|1.413067|1.496574|1.628608|2.948528|3.549927|0.073790|2.791399|3.562997|4.187065|3.578780|2.801484|6.266489|11.601180|10.475319|13.723134|36.858105| |1.491366|1.512588|1.626189|1.735818|1.701955|1.574115|1.867764|0.050431|1.778292|3.347037|2.168953|1.487572|1.397393|1.304686|1.291173|1.360151|1.464333|2.716774|2.983414|0.061917|2.326230|2.842550|3.218545|2.853124|2.333637|4.309457|7.936080|6.968156|7.965031|13.734860|36.858105| |1.404505|1.434281|1.536947|1.618925|1.574673|1.465813|1.735304|0.047408|1.643334|3.052992|2.025487|1.389727|1.316596|1.230896|1.211701|1.266934|1.359455|2.556505|2.732711|0.055910|2.139003|2.554142|2.891148|2.563958|2.146410|3.668789|6.388580|6.176038|6.851121|7.887786|13.771830|36.858105| |1.450923|1.497401|1.612698|1.685059|1.617653|1.502462|1.813899|0.050074|1.695604|3.116005|2.091558|1.423847|1.353111|1.257618|1.228490|1.279512|1.379054|2.582579|2.862534|0.057644|2.264346|2.700298|3.122846|2.712228|2.273644|3.897265|6.379850|7.063769|7.921519|6.851323|7.977429|13.749394|36.858105| |1.607290|1.670828|1.820350|1.909150|1.813452|1.666838|2.078496|0.057496|1.916018|3.513785|2.338011|1.572975|1.487295|1.369221|1.331298|1.390190|1.512628|2.777625|3.349588|0.066802|2.685473|3.292980|3.982775|3.310584|2.698554|5.167155|7.868186|10.851381|13.699982|7.920166|6.915177|7.942015|13.787861|36.858105| |17.733210|8.924027|5.648801|4.945910|5.646889|8.911342|3.548669|0.091092|3.128582|5.061572|4.104139|2.615084|2.294190|2.037429|2.011878|2.211819|2.554365|4.037964|4.211380|0.083997|3.244388|2.693865|2.268821|2.225905|2.515042|1.993592|3.497741|2.462587|1.617738|1.553381|1.404967|1.328126|1.368422|1.503842|0.500000| |8.913885|17.734281|8.922717|5.639337|4.948414|5.642032|4.101872|0.114542|3.337933|5.117745|4.468858|2.726632|2.459372|2.127094|2.020556|2.154915|2.504918|4.021520|4.658553|0.086915|3.632658|2.869737|2.471022|2.419739|2.836401|2.100901|3.570990|2.629070|1.701145|1.596073|1.437031|1.373871|1.439910|1.599769|0.214874|0.500000| |5.652997|8.933280|17.696799|8.887968|5.631047|4.952081|7.039922|0.227795|4.814238|6.798660|6.269269|3.466206|3.092381|2.539942|2.336878|2.477938|2.983836|4.535313|7.033804|0.119307|5.170415|3.673980|3.222799|3.262564|4.194627|2.576332|4.274873|3.172501|1.989538|1.833513|1.621881|1.545097|1.635998|1.853787|0.124324|0.216034|0.500000| |5.648346|4.946337|5.630828|8.860417|17.705394|8.947973|6.938058|0.140247|6.920353|12.286450|7.254595|4.292591|3.300333|2.805464|2.843622|3.393437|4.395685|5.426658|8.156456|0.192883|5.129244|4.075252|3.324673|3.546969|4.185927|2.820460|5.137274|3.242804|2.066572|2.010530|1.761574|1.613814|1.643597|1.838858|0.124322|0.107435|0.123654|0.500000| |8.904168|5.644874|4.955002|5.641272|8.941523|17.734533|4.086244|0.096438|3.847130|6.565025|4.780563|3.071537|2.555827|2.271573|2.316449|2.671371|3.171787|4.593844|4.955189|0.106176|3.630584|3.058664|2.522046|2.533605|2.838249|2.231936|4.037407|2.674262|1.751883|1.711745|1.533940|1.423765|1.447538|1.593090|0.214825|0.124077|0.107532|0.216467|0.500000| |3.788489|4.233885|5.490033|6.401861|5.110110|4.051811|7.592201|0.219840|9.508375|10.855386|26.019440|9.179749|7.116813|4.752483|4.071549|4.339822|5.919163|7.168444|6.633680|0.126261|3.773781|2.996244|2.840065|3.272762|4.365625|2.356244|4.068332|2.849583|1.819418|1.723056|1.532194|1.442027|1.498030|1.674231|0.088479|0.102246|0.150825|0.134152|0.096442|0.500000| |2.527862|2.722754|3.185111|3.456446|3.081640|2.656744|4.034242|0.119406|5.027002|7.547765|9.891916|8.909769|17.713203|8.940807|5.684904|4.952369|5.639701|9.626373|4.456338|0.087948|2.664745|2.304864|2.313381|2.709088|3.339599|2.004502|3.481140|2.483427|1.622366|1.548189|1.397784|1.324876|1.371228|1.511800|0.062742|0.069994|0.090889|0.085674|0.067446|0.205760|0.500000| |2.028312|2.101431|2.325719|2.502260|2.382246|2.142081|2.756319|0.077836|3.346836|5.599107|5.682638|5.631818|8.865662|17.751845|8.956099|5.643074|4.942330|16.718176|3.271608|0.066878|2.039581|1.840138|1.851788|2.127268|2.444719|1.668888|2.950321|2.090248|1.398167|1.356697|1.243600|1.179753|1.207330|1.309442|0.051883|0.054797|0.064817|0.067807|0.056476|0.111422|0.213734|0.500000| |2.298208|2.218279|2.389863|2.742656|2.901239|2.607152|2.885132|0.074077|3.718644|7.027556|5.636859|5.641223|4.955548|5.645634|8.963322|17.750777|8.876984|16.736804|3.526062|0.077401|2.192024|2.009358|1.944744|2.215996|2.461427|1.787895|3.285421|2.178862|1.464818|1.458166|1.331227|1.236867|1.241664|1.341802|0.058895|0.055883|0.062488|0.089148|0.072332|0.099626|0.107563|0.124614|0.500000| |3.130049|2.999073|3.359804|4.194804|4.583871|3.772493|4.464670|0.106765|6.619053|12.919521|9.623402|8.907014|5.642166|4.943889|5.680767|8.946018|17.775303|9.626213|5.158387|0.116964|3.029963|2.661683|2.495797|2.888552|3.368322|2.215478|4.062481|2.629770|1.725375|1.700789|1.522906|1.404743|1.419459|1.559019|0.076773|0.072436|0.084796|0.150322|0.101817|0.150887|0.124056|0.107420|0.214011|0.500000| |4.714638|4.989153|6.166469|7.593480|6.685871|5.266406|6.991817|0.160289|4.813661|8.129991|5.131158|2.998383|2.558470|2.186925|2.120662|2.345106|2.819938|4.172834|12.343529|0.219801|17.697152|8.839179|5.476967|4.893701|5.624144|4.105556|6.902075|4.607154|2.755434|2.551187|2.162759|1.990332|2.084572|2.424482|0.107230|0.114821|0.150586|0.168352|0.122675|0.103102|0.071064|0.055186|0.061273|0.085689|0.500000| |3.751442|4.343425|5.673505|6.057381|4.681828|3.854077|6.837400|0.190304|4.522045|7.311099|5.010413|2.906714|2.573186|2.179011|2.058405|2.211751|2.625464|4.057112|12.409444|0.180703|17.600347|8.747596|6.703829|5.761841|7.100103|4.459562|6.871058|5.191929|2.985982|2.641865|2.227698|2.088299|2.248016|2.676020|0.088090|0.107073|0.164506|0.118845|0.091178|0.103686|0.073826|0.055759|0.057004|0.076666|0.302005|0.500000| |3.029434|3.052368|3.505258|4.181701|4.111904|3.433581|4.592852|0.110717|3.907450|7.524501|4.189787|2.622024|2.276239|2.003179|1.976200|2.185308|2.550605|3.951894|9.376071|0.210084|8.862518|17.569963|8.877317|6.807413|5.707111|7.243939|13.298762|6.764044|3.850122|3.639388|2.898108|2.541747|2.613287|3.115483|0.074130|0.074917|0.091734|0.121357|0.088912|0.080409|0.062459|0.050874|0.058147|0.077531|0.215443|0.172761|0.500000| |2.995947|3.131611|3.552223|3.889124|3.628332|3.188575|4.089783|0.105683|3.295876|5.925089|3.709011|2.312515|2.060345|1.815216|1.765262|1.912364|2.203413|3.556394|7.613689|0.145217|8.987781|17.565961|8.778937|5.515317|4.915993|6.804451|10.282755|7.389613|4.075417|3.589729|2.891921|2.629656|2.806416|3.429806|0.074139|0.079024|0.096179|0.099514|0.081122|0.073904|0.057666|0.046726|0.050655|0.065498|0.214735|0.213425|0.303883|0.500000| |2.478908|2.690405|3.176619|3.436184|3.018064|2.595124|4.072080|0.114283|3.366426|5.972357|3.849738|2.406122|2.204229|1.927945|1.833903|1.941582|2.221888|3.687920|7.642248|0.135474|6.723763|8.852856|17.518155|8.854567|6.763103|8.769595|10.445433|10.339086|4.863846|3.875115|3.064289|2.854345|3.190730|4.144660|0.061445|0.069316|0.091798|0.083402|0.065638|0.076757|0.063092|0.050128|0.050659|0.063994|0.138635|0.195851|0.174302|0.215313|0.500000| |2.476300|2.559043|3.028725|3.634021|3.400708|2.774538|4.642471|0.117035|4.486273|9.238985|4.762758|3.046410|2.678434|2.343022|2.284114|2.494633|2.904530|4.528023|9.363908|0.212860|5.686623|6.797221|8.852484|17.572100|8.869229|7.215713|13.073784|6.796542|3.865036|3.650602|2.905860|2.548890|2.621592|3.126903|0.060867|0.063769|0.082769|0.103000|0.071865|0.087879|0.073662|0.059400|0.065281|0.085537|0.127627|0.132496|0.198679|0.138997|0.174075|0.500000| |2.241716|2.387595|2.839403|3.223777|2.883513|2.415775|4.140804|0.114773|3.870370|7.264809|4.382928|2.811684|2.586890|2.260368|2.144394|2.263088|2.585739|4.281823|7.593890|0.146517|4.893538|5.514477|8.772485|17.566361|8.983788|6.793120|10.141119|7.485295|4.115051|3.614948|2.909409|2.646814|2.828209|3.462329|0.055537|0.060884|0.081072|0.083396|0.061943|0.083668|0.073535|0.058472|0.058553|0.073397|0.107797|0.129280|0.139147|0.123159|0.215350|0.303694|0.500000| |2.876354|3.248763|4.206290|4.745052|3.755636|3.030388|6.964679|0.223994|5.362307|8.649782|5.940892|3.438207|3.118710|2.579400|2.368666|2.493147|2.965469|4.610036|12.418906|0.182386|7.141171|5.827501|6.777368|8.770908|17.596434|4.485609|6.875829|5.241008|3.007493|2.656274|2.238315|2.098919|2.261569|2.695455|0.069043|0.081792|0.127063|0.102434|0.074083|0.118950|0.091843|0.066096|0.062837|0.083350|0.145613|0.217912|0.133448|0.130602|0.198644|0.172978|0.213260|0.500000| |2.772975|2.996868|3.791414|4.639305|3.908727|3.056287|7.284756|0.198918|7.359047|13.059012|7.487053|4.371410|3.811149|3.097899|2.864948|3.071996|3.753047|5.454612|12.336350|0.224487|5.627196|4.908624|5.491026|8.846437|17.670726|4.106768|6.858196|4.634739|2.768908|2.559981|2.169724|1.997921|2.094349|2.437581|0.066634|0.074124|0.107579|0.113941|0.076183|0.135284|0.108432|0.077344|0.076388|0.105265|0.126562|0.145250|0.127782|0.108084|0.139190|0.215392|0.214859|0.300383|0.500000| |1.984958|2.102006|2.363652|2.506022|2.310142|2.066143|2.817063|0.078403|2.496070|4.534137|2.964756|1.935238|1.806597|1.625739|1.564117|1.642992|1.828192|3.208106|4.808787|0.092629|3.998629|5.248227|7.621021|5.307567|4.034643|9.520409|10.879309|26.083003|9.332339|5.743638|4.297394|4.089244|4.945850|7.705517|0.050559|0.055235|0.067522|0.064642|0.053740|0.058992|0.051361|0.042790|0.043500|0.052478|0.094084|0.112282|0.125711|0.148672|0.248355|0.126604|0.151620|0.113759|0.094970|0.500000| |1.742240|1.757741|1.914797|2.095481|2.066546|1.874456|2.287405|0.060558|2.177424|4.186740|2.588074|1.757362|1.622311|1.499950|1.490076|1.591040|1.736724|3.101887|3.800783|0.080685|2.957595|3.838040|4.424322|3.852118|2.966211|6.833809|14.975390|9.494580|8.903291|17.828176|8.916930|5.634971|4.949345|5.640199|0.045048|0.045674|0.052497|0.060352|0.050654|0.050151|0.044770|0.039274|0.043199|0.050758|0.075358|0.075899|0.113634|0.104861|0.108127|0.113904|0.105419|0.076252|0.075534|0.142995|0.500000| |1.436145|1.445292|1.545155|1.654663|1.639215|1.522406|1.770198|0.047524|1.704436|3.228441|2.085196|1.441369|1.352919|1.270696|1.265465|1.335961|1.430656|2.673698|2.802246|0.058781|2.162531|2.606808|2.877994|2.614741|2.168139|3.741925|7.197968|5.644972|5.668434|8.966743|17.722173|8.929245|5.662260|4.974265|0.037711|0.038098|0.042565|0.047397|0.041505|0.040787|0.037400|0.033634|0.036523|0.041424|0.056486|0.057096|0.075215|0.073157|0.075188|0.075378|0.073508|0.057322|0.056626|0.098241|0.216480|0.500000| |1.305587|1.329508|1.415578|1.485073|1.450445|1.359143|1.581546|0.043251|1.507061|2.795322|1.871945|1.292732|1.229597|1.156065|1.140416|1.189369|1.268548|2.418016|2.457096|0.050355|1.911181|2.238336|2.486553|2.245913|1.917137|3.046538|5.373108|4.917788|4.941775|5.624268|8.908017|17.731979|8.902404|5.646699|0.034462|0.035496|0.039500|0.041263|0.036814|0.037075|0.034338|0.030868|0.032348|0.036347|0.049853|0.051943|0.062130|0.063959|0.068331|0.062286|0.064326|0.052179|0.050028|0.092640|0.124045|0.214806|0.500000| |1.373895|1.422455|1.525332|1.578985|1.511584|1.412268|1.691243|0.047017|1.580669|2.882785|1.967363|1.342668|1.283870|1.196266|1.165642|1.208039|1.297237|2.457637|2.630846|0.052660|2.076852|2.419502|2.760081|2.429491|2.085194|3.284787|5.363295|5.740970|5.644909|4.941345|5.658344|8.902379|17.724420|8.954661|0.036131|0.038237|0.043179|0.042429|0.037775|0.039344|0.036259|0.032033|0.032545|0.036940|0.053389|0.057926|0.064581|0.070066|0.079675|0.064775|0.070581|0.058266|0.053644|0.117204|0.107472|0.124233|0.214102|0.500000| |1.634354|1.717309|1.877753|1.947886|1.826645|1.679335|2.124451|0.059533|1.935426|3.503719|2.372309|1.586572|1.506916|1.381354|1.333771|1.386460|1.512055|2.777109|3.403550|0.066696|2.750113|3.306906|4.033152|3.325110|2.764829|4.848388|7.088438|10.028892|8.886760|5.632859|4.971309|5.650014|8.941675|17.684884|0.042423|0.045923|0.053677|0.050964|0.044273|0.047539|0.042849|0.036784|0.036994|0.043094|0.068454|0.077933|0.084398|0.096400|0.123185|0.084708|0.097369|0.078568|0.068872|0.237297|0.123912|0.107841|0.124224|0.216656|0.500000| 1410.972777 -9211.882780 3612.254930 -191.161176 -4379.816249 2967.155483 -1412.660767 2.001196 3D54400000000003 44A82D0BC83DB9E1 442B06C245946001 42A235F4AC800004 33C0DF72F50E1117 4494089184A134EB