Version2.4 2021-05-28T11:58:07Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 09-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)c1ccc(cc1)OCc2cccc(c2)c3nnc(n3c4ccc(cc4OC)OC)[S-] C02793502 RHF 6-31G(d) (6D,7F) CC(C)c1ccc(cc1)OCc2cccc(c2)c3nnc(n3c4ccc(cc4OC)OC)[S-] C01[X(C26H26N3O3S1)] 171 C1 551 COc1ccc(c(c1)OC)n1c([S-])nnc1c1cccc(c1)COc1ccc(cc1)C(C)C COc1ccc(c(c1)OC)n1c([S-])nnc1c1cccc(c1)COc1ccc(cc1)C(C)C COc1ccc(n2c([S-])nnc2c3cccc(COc4ccc(cc4)C(C)C)c3)c(OC)c1 InChIKey=XALZYOGWYBVQHH-UHFFFAOYSA-M InChI=1S/C26H27N3O3S/c1-17(2)19-8-10-21(11-9-19)32-16-18-6-5-7-20(14-18)25-27-28-26(33)29(25)23-13-12-22(30-3)15-24(23)31-4/h5-15,17H,16H2,1-4H3,(H,28,33)/p-1 InChI=1/C26H27N3O3S/c1-17(2)19-8-10-21(11-9-19)32-16-18-6-5-7-20(14-18)25-27-28-26(33)29(25)23-13-12-22(30-3)15-24(23)31-4/h5-15,17H,16H2,1-4H3,(H,28,33)/p-1/fC26H26N3O3S/q-1 CC(C)c1ccc(cc1)OCc2cccc(c2)c3nnc(n3c4ccc(cc4OC)OC)[S-] C01[X(C26H26N3O3S1)] 171 C01 551 COc1ccc(c(c1)OC)n1c([S-])nnc1c1cccc(c1)COc1ccc(cc1)C(C)C CO[C]1[CH][CH][C]([C]([CH]1)OC)[N@@]1[C](S)[N][N][C]1[C]1[CH][CH][CH][C]([CH]1)CO[C]1[CH][CH][C]([CH][CH]1)C(C)C CO[C]1[CH][CH][C]([C]([CH]1)OC)N2[C](S)[N][N][C]2[C]3[CH][CH][CH][C]([CH]3)CO[C]4[CH][CH][C]([CH][CH]4)C(C)C InChIKey=XALZYOGWYBVQHH-UHFFFAOYSA-N InChI=1S/C26H27N3O3S/c1-17(2)19-8-10-21(11-9-19)32-16-18-6-5-7-20(14-18)25-27-28-26(33)29(25)23-13-12-22(30-3)15-24(23)31-4/h5-15,17H,16H2,1-4H3,(H,28,33) InChI=1/C26H27N3O3S/c1-17(2)19-8-10-21(11-9-19)32-16-18-6-5-7-20(14-18)25-27-28-26(33)29(25)23-13-12-22(30-3)15-24(23)31-4/h5-15,17H,16H2,1-4H3,(H,28,33)/f/h33H 3241.4891912283 -1785.1530088 1-A 27998.4439 122 429 551 |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| -91.69833 -20.52121 -20.50994 -20.47723 -15.48220 -15.43045 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0.8213 0.8542 0.7354 0.5611 0.8559 0.8543 0.7040 0.5016 0.5445 0.8552 0.8355 0.7610 0.5044 0.7694 0.8412 0.7193 0.0448 0.7434 0.7961 0.7696 0.2341 0.5476 0.3488 0.8297 0.8354 0.1605 0.7774 0.8507 0.7821 0.8566 0.3843 0.8570 0.4458 0.7876 0.8158 0.4816 0.2914 0.2306 0.4753 0.3486 0.6015 0.2711 0.6904 0.4456 0.6399 0.5541 0.4751 0.6188 0.8375 0.8380 0.5691 0.8571 0.4801 0.8571 0.7440 0.8341 0.8019 0.3379 0.8053 0.1606 0.7984 0.8571 0.6242 0.2797 0.3398 0.8478 0.8571 0.7470 0.2580 0.5319 0.7607 0.5603 0.7525 0.8570 0.8302 0.2952 0.8566 0.5425 0.6208 0.5918 0.4345 0.4996 0.7514 0.8571 0.8571 0.8568 0.5633 0.8528 0.8514 0.8568 0.5004 0.5595 0.8155 0.7985 0.7500 0.8227 0.6389 0.4384 0.8540 0.5413 0.4649 0.6546 0.5462 0.5767 0.7971 0.8571 0.2086 0.0790 0.0432 0.1555 0.8567 0.7948 0.7862 0.8413 0.8534 0.7953 0.6508 0.6597 0.8565 0.5969 0.7444 0.5515 0.3476 0.3776 0.3462 0.8429 0.4923 0.3046 0.2732 0.3767 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 6 6 6 6 6 6 6 6 8 6 6 6 6 6 6 6 6 7 7 6 7 6 6 6 6 6 6 8 6 8 6 16 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 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 12.00000 14.00307 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 31.97207 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 7941.5453 44615.3364 47923.1391 0.99996 0.00678 0.00495 -0.00662 0.99951 -0.03055 -0.00515 0.03051 0.99952 1 0.01091 0.00194 0.00181 0.22725 0.04045 0.03766 12.39 18.37 24.72 47.51 61.85 69.04 76.88 86.99 99.26 117.29 132.06 145.61 149.23 170.49 204.94 217.27 226.07 254.04 274.13 293.49 335.56 351.71 360.98 373.54 380.64 399.52 412.79 425.60 458.74 483.71 517.76 528.53 559.72 564.46 632.05 649.65 665.71 669.82 686.92 726.15 750.28 766.20 782.64 830.58 864.40 885.88 889.22 927.41 941.53 971.63 1005.72 1020.12 1053.44 1078.72 1115.45 1131.97 1141.51 1146.98 1165.79 1167.77 1213.64 1291.78 1312.98 1323.46 1337.12 1360.97 1370.12 1390.10 1403.84 1453.56 1453.95 1486.24 1495.50 1511.65 1530.85 1540.30 1562.08 1565.07 1566.17 1586.04 1595.17 1609.97 1635.36 1646.94 1680.82 1685.26 1691.15 1712.17 1732.74 1734.92 1749.58 1759.89 1763.66 1792.22 1819.66 1830.40 1863.30 1863.58 1874.31 1882.70 1887.55 1902.10 1908.17 1917.26 1931.04 1939.15 1971.84 1995.88 2010.70 2042.87 2083.52 2088.40 2107.41 2111.15 2129.08 2166.48 2188.79 2234.07 2235.23 2258.08 2285.67 2289.78 2296.89 2340.61 2348.56 2349.02 2357.09 2364.28 2369.63 2370.74 2374.56 2377.27 2387.01 2394.29 2395.86 2401.78 2444.64 2450.56 2503.66 2551.22 2555.59 2584.21 2615.40 2622.28 2624.48 4594.33 4595.08 4598.97 4606.20 4607.00 4610.27 4676.49 4678.26 4688.84 4693.48 4702.95 4708.34 4735.65 4759.07 4811.06 4817.49 4823.02 4827.32 4862.04 4874.91 4876.54 4876.88 4886.08 4900.90 4903.39 4927.26 0.509203 0.538280 0.539225 0.443818 -1784.643806 -1784.614729 -1784.613784 -1784.709191 3.199966D-04 MUNgauss RevisionA2.1 retrievium 28-May-2021 DUDE CC(C)c1ccc(cc1)OCc2cccc(c2)c3nnc(n3c4ccc(cc4OC)OC)[S-] C02793502 RHF 6-31G(d) (6D,10F) C1 460.169489 |X|Y|Z| 152.698267 56.751371 38.218246 69.187410 25 6 7 8 21 3 1 |36.858105| |12.410939|36.858105| |7.532254|12.410850|36.858105| |7.510189|12.514549|7.509937|36.858105| |5.298190|7.509440|5.295687|13.670828|36.858105| |4.000308|4.992277|3.999088|7.863006|13.814183|36.858105| |3.719123|4.390609|3.718694|6.763394|7.926000|13.689925|36.858105| |4.287772|4.970286|4.287203|7.843177|6.906025|7.960363|13.729131|36.858105| |6.045345|7.480981|6.045504|13.742974|8.038603|6.926862|7.930747|13.717940|36.858105| |2.961502|3.353617|2.960661|4.580491|5.296899|8.202359|14.161452|7.858730|5.196047|73.516695| |2.646001|2.900959|2.653498|3.759094|3.979666|5.245661|7.984541|6.690695|4.499330|24.018418|36.858105| |2.207477|2.392192|2.215950|2.955054|3.186473|4.061769|5.209220|4.396853|3.335434|14.205229|12.633993|36.858105| |2.053759|2.260179|2.113550|2.752647|3.049768|3.883752|4.584431|3.755982|2.984401|11.826574|7.550108|13.692948|36.858105| |1.792180|1.945939|1.834791|2.300008|2.521912|3.074859|3.455813|2.959043|2.455289|8.062199|5.031142|7.946676|13.793702|36.858105| |1.678565|1.789193|1.687901|2.087520|2.243847|2.671438|3.018499|2.681052|2.247538|6.808133|4.442421|6.848641|7.911205|13.724507|36.858105| |1.757300|1.850082|1.736235|2.168371|2.293270|2.722778|3.170708|2.880600|2.382069|7.163639|5.017717|7.860767|6.822512|7.918733|13.722393|36.858105| |2.006402|2.119197|1.971368|2.543259|2.678084|3.252241|3.998356|3.617722|2.866292|9.514355|7.619517|13.777147|7.957183|6.920667|7.958870|13.650366|36.858105| |1.613581|1.671499|1.575012|1.922412|2.001040|2.309618|2.644783|2.483410|2.107987|5.658893|3.842684|5.078311|4.462879|5.033297|7.548309|12.888829|7.732964|36.858105| |1.605261|1.648653|1.563244|1.884158|1.925621|2.189615|2.529225|2.449810|2.091931|5.268195|3.638599|4.448681|3.776387|3.997041|5.282528|7.856846|6.490962|14.894232|53.358707| |1.467580|1.493690|1.418882|1.681685|1.713407|1.917490|2.167815|2.113368|1.846038|4.399967|2.912955|3.407697|3.019725|3.229997|4.121656|5.332993|4.512430|8.869484|19.025618|53.358707| |1.404803|1.432822|1.355772|1.609014|1.658156|1.859240|2.068293|1.982669|1.741797|4.213031|2.712963|3.226934|2.964989|3.281582|4.282767|5.232645|4.167075|8.689636|11.970991|19.924164|36.858105| |1.477336|1.521750|1.433005|1.727058|1.804240|2.056296|2.291268|2.147952|1.863164|4.789413|3.087551|3.881236|3.627430|4.200999|5.988270|7.448908|5.168840|13.854031|11.946634|11.895834|13.687389|53.358707| |1.433941|1.480891|1.387948|1.675363|1.773572|2.023640|2.206260|2.032781|1.778363|4.604458|2.850268|3.565572|3.510616|4.193776|5.758226|6.049852|4.399373|7.594438|7.333220|7.322872|7.609513|18.294451|36.858105| |1.466079|1.503992|1.395121|1.698995|1.808219|2.059680|2.219494|2.033367|1.789249|4.593834|2.770339|3.358286|3.262456|3.709760|4.650324|4.966674|4.020789|5.690030|6.023950|6.067288|5.835680|10.708152|13.809355|36.858105| |1.404229|1.442680|1.336128|1.618001|1.736973|1.966447|2.071194|1.883359|1.678362|4.231499|2.469751|2.926244|2.944231|3.343081|3.920215|3.893348|3.299195|4.114985|4.580473|4.600359|4.177390|6.991601|7.867531|13.728683|36.858105| |1.322237|1.368134|1.276905|1.527445|1.643704|1.854645|1.937446|1.759274|1.575851|3.945166|2.289173|2.721337|2.842103|3.332327|3.851872|3.579049|2.989954|3.686310|4.122362|4.122008|3.699929|6.160748|6.823843|7.976619|13.759129|36.858105| |1.297452|1.349684|1.270543|1.509061|1.616454|1.827017|1.927190|1.757413|1.567100|3.949278|2.331967|2.827046|3.002415|3.674939|4.423132|3.928373|3.134621|4.082376|4.475752|4.455925|4.052663|6.976975|7.907737|6.935990|7.941248|13.721649|36.858105| |1.345625|1.399145|1.320501|1.573575|1.672763|1.900020|2.043448|1.876218|1.655470|4.234437|2.576285|3.203237|3.332343|4.159746|5.521340|5.012092|3.722548|5.570404|5.770526|5.729178|5.483986|10.548329|13.655188|8.001615|6.860727|7.925237|13.799458|36.858105| |1.304093|1.362114|1.298412|1.528392|1.615120|1.827312|1.974296|1.827757|1.614329|4.075656|2.509814|3.120810|3.298164|4.201671|5.601147|4.863308|3.587640|5.350935|5.758372|5.656845|5.128057|9.124417|7.958183|5.246331|4.611397|5.251164|8.101035|14.052251|73.516695| |1.209720|1.255700|1.203805|1.395507|1.459618|1.629244|1.756994|1.653160|1.475634|3.558819|2.193704|2.633497|2.714282|3.275697|4.122286|3.866293|3.019169|4.497857|5.313812|5.617312|5.112686|7.713577|5.984398|4.318946|3.844703|4.265008|5.897400|8.094205|23.883297|36.858105| |1.257554|1.301699|1.215807|1.441545|1.556562|1.740371|1.788429|1.623625|1.471286|3.587838|2.042470|2.370669|2.504195|2.878587|3.160479|2.912115|2.525843|2.932696|3.395060|3.393842|2.939641|4.662419|4.597011|5.202692|7.858503|14.056253|8.198132|5.287764|7.246169|3.495985|73.516695| |1.256605|1.293060|1.200832|1.424712|1.540464|1.710130|1.739472|1.581089|1.444225|3.446943|1.936324|2.197198|2.287192|2.541397|2.728641|2.585826|2.319367|2.599120|3.075358|3.083472|2.621578|4.040220|3.787060|4.528510|6.751923|8.029157|5.272365|3.990766|5.690835|2.838243|24.281831|36.858105| |1.265116|1.282467|1.215654|1.420520|1.462582|1.616800|1.763351|1.696209|1.519027|3.515936|2.194099|2.522762|2.381160|2.620130|3.228372|3.621470|3.053040|4.921618|6.706321|9.463339|10.992591|9.406297|5.946425|5.163451|4.050656|3.652052|3.904059|4.856679|7.928360|4.938840|5.279793|2.675483|388.023441| |17.526877|8.768534|6.896560|5.476733|4.263671|3.331399|3.090138|3.466977|4.570664|4.524323|2.303008|1.963321|1.846018|1.631672|1.533884|1.597463|1.800575|1.477616|2.003089|1.845295|1.301348|1.854858|1.326513|1.355820|1.304842|1.233696|1.210543|1.250829|2.159093|1.131837|2.096290|1.180723|8.399421|0.500000| |17.559806|8.762148|5.477424|6.890227|5.401996|4.146027|3.789726|4.211839|5.567233|5.404707|2.685419|2.251945|2.087137|1.824073|1.714090|1.799965|2.056080|1.654817|2.231461|2.044076|1.443602|2.069990|1.482870|1.529492|1.468695|1.375007|1.339686|1.385322|2.369445|1.233390|2.326251|1.314835|9.259124|0.300839|0.500000| |17.543984|8.741071|6.793776|6.716958|4.663190|3.752180|3.703536|4.517821|6.463370|5.278542|2.727470|2.252265|2.064460|1.799510|1.698249|1.795947|2.063876|1.657567|2.266117|2.069191|1.443647|2.054695|1.452306|1.479277|1.405970|1.320100|1.299702|1.356777|2.343390|1.226698|2.220502|1.244117|9.213675|0.301691|0.301855|0.500000| |8.956630|17.522319|8.956824|9.017680|7.446128|4.839312|3.999120|4.194817|5.608230|5.588135|2.680880|2.263106|2.176467|1.889841|1.730423|1.770890|2.005014|1.599320|2.131020|1.939337|1.377533|1.997571|1.441225|1.469459|1.421942|1.353521|1.330458|1.368856|2.363556|1.223925|2.304484|1.292644|8.818656|0.215232|0.213666|0.173787|0.500000| |5.477211|8.761501|17.558005|6.889187|5.397157|4.143487|3.788706|4.210567|5.566833|5.401670|2.698704|2.267277|2.197927|1.902893|1.731122|1.761806|1.992947|1.585701|2.130458|1.927286|1.356346|1.961468|1.399281|1.399820|1.343387|1.291532|1.290338|1.339525|2.351084|1.222723|2.189185|1.211600|8.633466|0.140912|0.122565|0.139043|0.213672|0.500000| |6.896734|8.768284|17.526964|5.476569|4.262242|3.330631|3.089874|3.466696|4.570790|4.523346|2.307990|1.969322|1.889429|1.663894|1.541054|1.581463|1.774925|1.447594|1.958407|1.792259|1.261780|1.806808|1.289563|1.298676|1.249236|1.196337|1.188421|1.230409|2.150860|1.126948|2.034248|1.133734|8.108809|0.207542|0.140914|0.168919|0.215220|0.300840|0.500000| |6.793729|8.741162|17.543463|6.717054|4.661542|3.751235|3.703212|4.517306|6.463916|5.277108|2.736123|2.261720|2.128114|1.844700|1.708384|1.772520|2.024180|1.614062|2.199801|1.992691|1.388359|1.987727|1.402567|1.403477|1.334804|1.273076|1.271495|1.329930|2.332526|1.220270|2.144656|1.187662|8.821152|0.168906|0.139051|0.200241|0.173789|0.301816|0.301701|0.500000| |4.996755|6.980509|4.993114|8.904217|17.690767|8.991556|5.652186|4.967210|5.683663|7.626639|3.330435|2.798760|2.745744|2.326804|2.074068|2.094062|2.391167|1.842401|2.403621|2.160587|1.548729|2.290812|1.671429|1.711884|1.664164|1.583764|1.550624|1.588527|2.722434|1.386775|2.692865|1.507874|9.817269|0.117527|0.143784|0.116757|0.230425|0.143588|0.117461|0.116696|0.500000| |3.376493|4.071580|3.374857|5.604777|8.891374|17.731286|8.964263|5.670023|4.981073|13.494002|4.861811|4.076767|4.104874|3.275202|2.791003|2.778181|3.247393|2.334351|2.959787|2.599344|1.876070|2.856686|2.100025|2.149129|2.077506|1.969847|1.930835|1.986772|3.376529|1.678301|3.304606|1.828786|11.640670|0.080804|0.098345|0.087461|0.114826|0.098251|0.080773|0.087424|0.215717|0.500000| |3.716876|4.075819|3.714932|5.625585|4.973166|5.643107|8.870587|17.763251|8.953106|12.455627|7.404094|4.684563|3.811347|3.016356|2.789894|3.075030|3.953284|2.668306|3.653630|3.115770|2.111008|3.089214|2.107234|2.086728|1.905229|1.773758|1.784709|1.929860|3.361722|1.718107|2.885635|1.571596|12.697590|0.085850|0.100937|0.112650|0.096518|0.100843|0.085820|0.112581|0.107832|0.124269|0.500000| |6.272483|6.910613|6.271456|8.911861|5.677228|4.978921|5.664119|8.995115|17.699756|7.468346|3.915110|2.989498|2.664545|2.237123|2.081522|2.221752|2.647193|2.001184|2.743250|2.438673|1.678266|2.413406|1.680143|1.684691|1.575710|1.480091|1.475741|1.563477|2.722527|1.412799|2.456932|1.356600|10.454095|0.133480|0.150870|0.211896|0.139873|0.150822|0.133472|0.211854|0.124312|0.107986|0.219225|0.500000| |2.641314|2.935387|2.771477|3.773821|3.851450|4.839386|7.190635|6.869491|4.651396|16.587962|17.526983|8.889422|6.494402|4.553119|4.010251|4.404249|6.146516|3.486975|4.624902|3.733449|2.524511|3.837327|2.580603|2.468205|2.214160|2.084152|2.149117|2.375531|4.206085|2.096794|3.331785|1.771048|14.640539|0.064106|0.072794|0.076380|0.074456|0.079145|0.066496|0.080687|0.089368|0.121352|0.227409|0.115012|0.500000| |2.731697|2.900552|2.623448|3.719143|3.793705|4.761092|7.057142|6.756371|4.583140|16.513527|17.570160|8.910294|5.604994|4.205100|3.995186|4.782277|7.351342|3.892156|5.196071|4.170914|2.805645|4.252824|2.837135|2.798283|2.464437|2.242872|2.260577|2.507194|4.295654|2.140793|3.544949|1.907288|16.091151|0.065680|0.077761|0.079542|0.073599|0.072477|0.063686|0.075956|0.088199|0.119765|0.226270|0.113712|0.301349|0.500000| |2.155862|2.424487|2.271098|2.983018|3.387886|4.414807|5.059557|3.975005|3.175510|12.885684|6.984673|8.898765|17.720413|8.915940|5.632146|4.926006|5.654199|3.565100|4.253796|3.516249|2.540644|4.108888|2.972039|2.819281|2.620647|2.559612|2.672827|2.877841|5.080498|2.399665|4.115180|2.140365|14.947924|0.053755|0.060539|0.059615|0.065282|0.066551|0.056054|0.062926|0.084800|0.132890|0.107984|0.077449|0.177345|0.141124|0.500000| |1.696279|1.851041|1.756410|2.161488|2.385414|2.866860|3.108455|2.668233|2.266584|6.949939|4.095272|5.648058|8.938254|17.701699|8.930267|5.642383|4.975473|4.093944|4.560813|3.843961|2.912207|4.954627|3.774479|3.366677|3.163910|3.281397|3.663392|3.969568|7.277688|3.195095|5.176608|2.547598|17.150974|0.043198|0.047838|0.046998|0.050396|0.050948|0.044485|0.048734|0.062095|0.086087|0.074424|0.057468|0.106411|0.096513|0.215140|0.500000| |1.535210|1.628859|1.544969|1.872331|2.004869|2.341819|2.587904|2.330263|1.996097|5.624603|3.554818|4.944268|5.645961|8.926336|17.771493|8.913826|5.652495|6.913544|6.670303|5.559049|4.460106|8.646291|6.539874|4.873878|4.169122|4.318750|5.377777|7.126749|14.009696|5.169810|6.187107|2.899074|24.487537|0.039262|0.043518|0.043068|0.043976|0.044012|0.039475|0.043361|0.052076|0.068111|0.067037|0.051769|0.091391|0.090885|0.124185|0.216080|0.500000| |2.057954|2.138024|1.983614|2.554278|2.630336|3.129859|3.889289|3.687919|2.929846|8.752650|7.049974|8.909076|5.647016|4.978108|5.672746|8.967050|17.733262|7.271375|9.715972|6.657765|4.276363|6.732636|4.063282|3.818195|3.104689|2.760211|2.846143|3.358672|5.715281|2.807595|4.170842|2.187905|22.157567|0.051176|0.058719|0.059481|0.055682|0.055053|0.049667|0.057068|0.064900|0.084787|0.115474|0.076323|0.161441|0.225086|0.124068|0.107930|0.124580|0.500000| |1.530036|1.556806|1.436252|1.761275|1.863422|2.118337|2.299931|2.123559|1.865614|4.735393|2.874203|3.409274|3.178366|3.456232|4.233719|4.853546|4.161911|5.702453|6.344650|6.447765|5.966958|9.933795|9.023106|17.742610|8.928205|5.666204|4.986781|5.687878|7.528490|3.667193|7.446995|3.915042|36.751789|0.039196|0.044536|0.043048|0.042083|0.039789|0.037109|0.040238|0.048774|0.060848|0.060833|0.048909|0.070470|0.082711|0.076439|0.085634|0.116940|0.114763|0.500000| |1.414018|1.444303|1.329688|1.613195|1.734500|1.951671|2.034791|1.851418|1.662624|4.104847|2.357729|2.719521|2.708214|2.974198|3.356682|3.389261|3.010499|3.529815|4.075590|4.102164|3.596242|5.699358|5.636623|8.950553|17.765244|8.853349|5.631466|4.949829|6.508823|3.175391|12.435293|7.457748|25.324675|0.036546|0.041323|0.039216|0.039671|0.037000|0.034622|0.036789|0.046388|0.057356|0.051698|0.043344|0.058550|0.065940|0.068074|0.078414|0.096149|0.080107|0.216602|0.500000| |1.235534|1.289503|1.220436|1.434316|1.536626|1.726833|1.807788|1.651535|1.482442|3.673481|2.152764|2.578817|2.789127|3.417604|3.949156|3.421832|2.790248|3.479867|3.931172|3.906710|3.439621|5.657345|5.636570|4.986855|5.652485|8.922402|17.745129|8.950402|13.157127|5.739180|13.405294|4.860524|23.970634|0.032136|0.035317|0.034310|0.035410|0.034548|0.031788|0.033873|0.041144|0.050777|0.046441|0.038832|0.055793|0.057518|0.070231|0.098106|0.134303|0.070335|0.108134|0.123844|0.500000| |1.217840|1.256385|1.202328|1.395272|1.451159|1.615657|1.751892|1.661014|1.482485|3.536680|2.198336|2.616693|2.620486|3.079437|3.905302|3.905047|3.070676|4.886928|5.960799|6.763009|6.575969|8.970940|6.415001|4.590219|3.901434|4.084185|5.244515|7.331706|16.342127|17.645832|5.879799|2.759235|47.677331|0.031632|0.034543|0.034427|0.033911|0.033771|0.031276|0.033953|0.038192|0.045947|0.048228|0.039579|0.058194|0.060479|0.064086|0.081408|0.129372|0.081216|0.110869|0.090122|0.133385|0.500000| |1.147194|1.189084|1.139881|1.313782|1.376586|1.527697|1.629914|1.532422|1.379182|3.271610|1.984992|2.344109|2.432772|2.897641|3.494498|3.254718|2.629810|3.666196|4.406229|4.684902|4.206605|6.177170|5.091946|3.984117|3.765880|4.368841|6.050400|7.012143|16.449584|17.539587|6.594920|2.971516|31.356288|0.029919|0.032527|0.032216|0.032324|0.032160|0.029750|0.031997|0.036551|0.043867|0.043948|0.036691|0.052707|0.053842|0.060752|0.080074|0.118583|0.068347|0.093664|0.087268|0.176629|0.299272|0.500000| |1.193001|1.242238|1.198726|1.378608|1.436487|1.599274|1.728907|1.635354|1.461290|3.490080|2.162743|2.583294|2.679334|3.225175|3.977611|3.690496|2.925328|4.175219|5.102093|5.272784|4.467687|6.557696|4.737034|3.575015|3.208702|3.510022|4.616614|5.902512|16.868441|17.622628|5.309435|2.480032|29.689335|0.031038|0.033627|0.033656|0.033579|0.033912|0.031169|0.033830|0.037869|0.045587|0.047363|0.038974|0.058243|0.058262|0.066188|0.088180|0.137135|0.075418|0.087193|0.075648|0.129553|0.298164|0.299164|0.500000| |1.196393|1.232576|1.148351|1.349614|1.459417|1.608547|1.622893|1.478538|1.360447|3.186805|1.778607|1.997154|2.094504|2.315069|2.441977|2.296288|2.080511|2.291878|2.747477|2.752572|2.306744|3.504030|3.178021|3.624915|4.912787|5.878370|4.417834|3.412195|5.085312|2.580538|17.012798|17.622507|16.815390|0.031353|0.034711|0.032817|0.034355|0.032241|0.030216|0.031476|0.039920|0.047837|0.040689|0.035547|0.045557|0.048480|0.055142|0.065363|0.072078|0.054557|0.089033|0.145847|0.120794|0.069051|0.075945|0.063622|0.500000| |1.228769|1.255752|1.166383|1.378865|1.479651|1.633325|1.669510|1.531799|1.402873|3.288929|1.861777|2.095606|2.141792|2.353877|2.559932|2.488250|2.241067|2.564659|3.075694|3.141526|2.690848|4.044435|3.749279|4.603421|6.770086|7.077020|4.796378|3.813854|5.437200|2.789112|16.453807|17.553965|20.141771|0.032108|0.035752|0.033901|0.034776|0.032559|0.030642|0.032131|0.040146|0.048099|0.042488|0.036783|0.047370|0.051498|0.055463|0.064655|0.075178|0.059603|0.113361|0.223896|0.120186|0.077037|0.081279|0.067329|0.299861|0.500000| 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