Version2.1 2021-01-07T15:36:11Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 03-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H](c1cc2cccc(c2o1)OC)N(CCCN3CCOCC3)C(=S)Nc4cccc(c4)Cl C20730100 RHF 6-31G(d) (6D,7F) C[C@@H](c1cc2cccc(c2o1)OC)N(CCCN3CCOCC3)C(=S)Nc4cccc(c4)Cl C01[X(C25H30Cl1N3O3S1)] 183 C1 563 COc1cccc2c1oc(c2)[C@@H](N(C(=S)Nc1cccc(c1)Cl)CCCN1CCOCC1)C COc1cccc2c1oc(c2)[C@@H](N(C(=S)Nc1cccc(c1)Cl)CCCN1CCOCC1)C COc1cccc2cc(oc12)[C@H](C)N(CCCN3CCOCC3)C(=S)Nc4cccc(Cl)c4 InChIKey=BKGIJVRRDMXZHI-SFHVURJKSA-N InChI=1S/C25H30ClN3O3S/c1-18(23-16-19-6-3-9-22(30-2)24(19)32-23)29(11-5-10-28-12-14-31-15-13-28)25(33)27-21-8-4-7-20(26)17-21/h3-4,6-9,16-18H,5,10-15H2,1-2H3,(H,27,33)/t18-/m0/s1 InChI=1/C25H30ClN3O3S/c1-18(23-16-19-6-3-9-22(30-2)24(19)32-23)29(11-5-10-28-12-14-31-15-13-28)25(33)27-21-8-4-7-20(26)17-21/h3-4,6-9,16-18H,5,10-15H2,1-2H3,(H,27,33)/t18-/m0/s1/f/h27H C[C@@H](c1cc2cccc(c2o1)OC)N(CCCN3CCOCC3)C(=S)Nc4cccc(c4)Cl C01[X(C25H30Cl1N3O3S1)] 183 C01 563 COc1cccc2c1oc(c2)[C@@H](N(C(=S)Nc1cccc(c1)Cl)CCCN1CCOCC1)C CO[C]1[CH][CH][CH][C]2[C]1OC(=[CH]2)[C@@H]([N]([C](S)N[C]1[CH][CH][CH][C]([CH]1)Cl)CCCN1CCOCC1)C CO[C]1[CH][CH][CH][C]2C=C(O[C]12)[C@H](C)N(CCCN3CCOCC3)[C](S)N[C]4[CH][CH][CH][C](Cl)[CH]4 InChIKey=HSTWGVJTAWEBJC-SFHVURJKSA-N InChI=1S/C25H31ClN3O3S/c1-18(23-16-19-6-3-9-22(30-2)24(19)32-23)29(11-5-10-28-12-14-31-15-13-28)25(33)27-21-8-4-7-20(26)17-21/h3-4,6-9,16-18,27,33H,5,10-15H2,1-2H3/t18-/m0/s1 InChI=1/C25H31ClN3O3S/c1-18(23-16-19-6-3-9-22(30-2)24(19)32-23)29(11-5-10-28-12-14-31-15-13-28)25(33)27-21-8-4-7-20(26)17-21/h3-4,6-9,16-18,27,33H,5,10-15H2,1-2H3/t18-/m0/s1 3778.3198305849 -2209.047619 1-A 20099.6803 129 434 563 |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|A|A|A| -104.83680 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|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|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| 12.6689 15.7840 17.1858 18.9026 23.4299 27.6257 48.0770 51.9892 63.2767 76.9729 80.7087 88.1136 120.0276 142.4253 156.2239 163.2186 192.8576 201.3576 214.7661 219.6961 223.5928 245.1049 254.3467 263.5896 266.9747 268.0658 296.0963 300.0160 327.4137 338.3513 357.7430 362.6786 391.2972 412.7003 420.7811 431.8803 448.0821 461.8795 484.3903 492.4734 518.8447 533.3309 537.6513 565.7261 577.0592 595.9966 612.0861 614.6308 630.3891 661.7783 677.5532 683.9127 704.5087 728.0222 754.5580 768.7984 775.5105 791.8832 813.0489 817.2597 833.9338 846.0255 870.7412 884.2736 894.1123 932.0526 939.7076 947.6331 951.2963 977.2807 984.4441 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0.00251 0.13214 0.07226 0.05234 18.23 22.71 24.73 27.20 33.71 39.75 69.17 74.80 91.04 110.75 116.12 126.78 172.69 204.92 224.77 234.84 277.48 289.71 309.00 316.09 321.70 352.65 365.95 379.25 384.12 385.69 426.02 431.66 471.08 486.81 514.71 521.81 562.99 593.78 605.41 621.38 644.69 664.54 696.93 708.56 746.50 767.34 773.56 813.95 830.26 857.51 880.66 884.32 906.99 952.15 974.85 984.00 1013.63 1047.46 1085.64 1106.13 1115.79 1139.34 1169.80 1175.85 1199.84 1217.24 1252.80 1272.27 1286.43 1341.02 1352.03 1363.43 1368.70 1406.09 1416.40 1417.28 1427.78 1445.73 1460.44 1482.54 1525.14 1547.14 1565.66 1566.94 1567.88 1591.83 1602.43 1620.72 1640.89 1666.66 1679.21 1697.19 1709.70 1722.69 1734.05 1735.67 1752.30 1764.41 1771.19 1795.89 1822.84 1826.08 1832.24 1846.89 1852.94 1862.18 1876.77 1890.94 1908.79 1932.93 1948.54 1957.39 1974.10 2012.69 2016.60 2030.57 2036.85 2070.22 2072.94 2076.75 2087.16 2107.30 2111.16 2114.74 2135.95 2150.25 2170.18 2195.15 2219.55 2241.46 2252.64 2259.22 2266.56 2281.80 2289.39 2296.84 2314.99 2343.65 2354.32 2358.40 2359.54 2369.21 2370.24 2372.64 2373.83 2376.07 2387.06 2387.75 2394.13 2400.56 2410.59 2442.00 2559.82 2570.15 2587.27 2608.23 2621.55 4490.82 4496.27 4513.16 4580.65 4594.74 4619.99 4637.26 4644.08 4669.86 4683.11 4711.58 4714.47 4718.10 4725.71 4727.61 4737.21 4758.11 4797.66 4798.76 4805.34 4843.29 4854.84 4862.39 4875.56 4878.61 4899.31 4904.55 4912.72 4953.31 5491.59 0.562123 0.591443 0.592387 0.495889 -2208.485496 -2208.456176 -2208.455232 -2208.551730 3.236559D-04 MUNgauss RevisionA2.0 retrievium 07-Jan-2021 DUDE C[C@@H](c1cc2cccc(c2o1)OC)N(CCCN3CCOCC3)C(=S)Nc4cccc(c4)Cl C20730100 RHF 6-31G(d) (6D,10F) C1 487.169642 |X|Y|Z| 79.854651 111.390335 36.264131 68.581714 28 6 7 8 23 3 2 |36.858105| |12.430940|36.858105| |8.980955|17.756586|0.500000| |7.571141|12.686259|0.257600|36.858105| |5.116710|7.378294|0.198083|14.238397|36.858105| |4.139822|5.127512|0.131807|8.544630|13.153931|36.858105| |3.187531|3.745087|0.100077|5.265154|7.225484|13.607825|36.858105| |2.834130|3.165902|0.083044|4.218316|5.024191|8.043399|13.887036|36.858105| |2.977004|3.210470|0.081529|4.242228|4.567198|6.890231|7.835142|13.548525|36.858105| |3.674981|3.922433|0.095418|5.404421|5.305610|7.799076|6.694961|7.859307|13.807772|36.858105| |4.614594|5.317845|0.126015|8.775849|8.512755|13.811065|7.920605|7.009005|8.091204|13.667188|36.858105| |6.662709|7.793049|0.162750|14.060143|8.550822|8.480222|5.353743|4.694604|5.235655|7.800066|14.109728|73.516695| |3.661202|3.669402|0.087706|4.632151|4.192433|5.251648|4.553227|5.157619|7.832990|14.192630|8.156936|12.104853|73.516695| |2.925494|2.893928|0.071217|3.458385|3.248871|3.963322|3.749353|4.475846|6.680091|8.050318|5.252446|8.066627|24.180167|36.858105| |7.618042|12.807733|0.254295|7.662733|5.530025|4.210943|3.256231|2.821423|2.871974|3.437320|4.378324|10.489853|5.863456|2.674528|53.358707| |5.634140|7.466426|0.156788|6.565315|4.976429|4.207046|3.299994|2.946430|3.080538|3.745965|4.618425|10.798897|6.536120|2.965618|17.611425|36.858105| |5.444595|5.732733|0.122740|5.149016|3.938410|3.595264|2.906067|2.717576|2.964579|3.677392|4.219875|9.862360|6.947990|3.190756|10.214174|12.449925|36.858105| |3.816669|4.032728|0.092807|3.943695|3.285333|3.171369|2.685401|2.589493|2.854377|3.437515|3.688801|7.754568|6.622010|3.192452|6.738973|7.598837|12.460235|36.858105| |3.368248|3.327879|0.078349|3.265980|2.767709|2.741185|2.379054|2.356008|2.647842|3.160046|3.223893|6.593478|6.400215|3.233311|5.168753|4.993819|7.660214|13.113713|53.358707| |2.733428|2.749654|0.066484|2.790317|2.462794|2.508145|2.246688|2.273899|2.565015|2.964003|2.908575|5.621354|5.998020|3.193558|4.169129|3.900194|5.066785|7.899220|17.848052|36.858105| |2.438039|2.378255|0.058366|2.401326|2.139426|2.192925|1.994400|2.044376|2.316607|2.636762|2.532891|4.834616|5.432798|3.025085|3.494046|3.080251|3.894838|5.085355|10.653434|12.535084|36.858105| |2.361071|2.268477|0.056136|2.226184|1.977085|1.987179|1.803429|1.825231|2.033899|2.302561|2.259587|4.377289|4.656594|2.561388|3.360764|2.889380|3.660339|4.535592|9.187483|7.911338|13.618038|73.516695| |2.714013|2.544809|0.062367|2.432053|2.114492|2.088275|1.863287|1.861272|2.068080|2.381467|2.386867|4.763234|4.817470|2.574495|3.796610|3.237312|4.314998|5.070620|10.651007|6.809432|8.208407|24.190839|36.858105| |3.154441|3.025120|0.072777|2.840654|2.424419|2.351753|2.060220|2.024564|2.232715|2.607500|2.688965|5.508562|5.183422|2.666508|4.731497|4.244844|6.151953|7.841840|17.827143|8.006261|6.804899|14.050867|12.534688|36.858105| |5.990241|7.760520|0.202884|5.148604|4.196036|3.315249|2.704991|2.375591|2.393522|2.769739|3.360264|7.464280|4.779709|2.262049|19.373044|7.849341|5.742952|4.185583|4.565037|2.747797|2.348276|4.124547|2.634402|3.257541|36.858105| |4.216984|4.742519|0.123502|3.685246|3.156086|2.670906|2.267586|2.049800|2.084761|2.374306|2.745569|5.836330|4.193695|2.043466|9.661020|6.264737|5.352319|4.306940|4.752465|2.865167|2.441457|4.402734|2.831270|3.587027|11.345312|388.023441| |5.612249|6.879394|0.222333|4.632113|3.989530|3.103722|2.576217|2.242661|2.221476|2.521034|3.046113|6.554695|4.299394|2.058647|11.138834|5.173763|4.153719|3.227957|3.710674|2.302341|2.023870|3.571206|2.258689|2.679417|13.730399|51.595919|53.358707| |4.707909|6.124821|0.228419|4.608664|4.330757|3.262102|2.741454|2.329979|2.244822|2.493166|3.040955|6.277678|4.136580|1.987200|8.567400|4.355832|3.443156|2.800929|3.243125|2.069951|1.828472|3.189493|1.976235|2.298916|7.669660|35.797783|18.207777|36.858105| |4.177628|4.872529|0.180710|3.897370|3.777164|2.940508|2.534667|2.170497|2.080322|2.278351|2.728443|5.496342|3.786327|1.842312|6.179228|3.392208|2.853928|2.373150|2.833783|1.830876|1.648321|2.886784|1.782593|2.026231|5.160573|27.308980|10.765487|13.719291|36.858105| |3.388755|3.939485|0.139763|3.454480|3.568472|2.835858|2.522135|2.145566|2.015110|2.156929|2.556221|4.950365|3.536528|1.738614|4.956424|2.896895|2.455329|2.103328|2.531196|1.665876|1.507227|2.625040|1.599533|1.796909|3.913454|22.060806|7.039572|7.936870|13.775193|36.858105| |3.088864|3.741323|0.128660|3.470536|3.777535|2.999509|2.713650|2.272063|2.091906|2.207002|2.622208|4.951488|3.561902|1.752787|4.829461|2.914313|2.417233|2.107358|2.510844|1.670546|1.500216|2.591547|1.562913|1.760990|3.700620|21.203195|6.161469|6.839048|7.917045|13.752631|36.858105| |3.297074|4.244562|0.143775|3.956854|4.343145|3.348285|2.974485|2.458438|2.261138|2.403261|2.900471|5.511794|3.853318|1.877887|5.765288|3.467440|2.750085|2.392877|2.785588|1.847697|1.633526|2.806305|1.690364|1.933565|4.383258|24.577329|6.986082|7.975594|6.922213|8.010046|13.784736|36.858105| |3.989550|5.455891|0.187805|4.645275|4.714985|3.514198|2.988695|2.491873|2.350450|2.569616|3.151416|6.277701|4.175478|2.007572|7.994379|4.431026|3.347570|2.816066|3.205277|2.081556|1.817762|3.133365|1.910632|2.228633|6.408320|32.650028|10.529501|13.723063|7.925478|6.871605|7.884082|13.768927|36.858105| |2.718168|3.422103|0.106944|3.449792|3.964050|3.264247|3.050700|2.522311|2.267853|2.343488|2.769012|5.028231|3.712692|1.832597|4.762308|3.129184|2.504240|2.270440|2.644138|1.794428|1.581125|2.691492|1.594415|1.814511|3.478775|20.955950|5.025960|4.776219|4.238387|4.780443|7.047548|10.931695|7.060711|448.794386| |17.559505|8.850561|0.218388|6.952669|5.090542|4.208944|3.275161|2.911570|3.041195|3.711917|4.621607|11.135778|6.485691|2.934361|7.564227|4.403492|4.263709|3.221944|3.984075|2.450960|2.229730|3.824976|2.435395|2.741566|4.635395|24.477289|6.361193|4.257083|4.043203|3.388168|3.057040|3.157025|3.646665|20.970451|0.500000| |17.590763|8.842685|0.215012|5.529628|4.143289|3.400426|2.729770|2.449654|2.548232|3.047043|3.670674|8.675309|5.446391|2.539774|9.551007|5.058781|4.973351|3.558775|4.335812|2.583481|2.328261|4.099878|2.683172|3.114999|6.528880|33.033963|8.829979|4.984632|4.485636|3.490065|3.082159|3.242261|3.973864|21.060762|0.300933|0.500000| |17.642358|8.732998|0.174309|6.778612|4.623301|4.027698|3.125557|2.865255|3.117038|3.970618|4.814817|12.796833|7.416673|3.283835|9.193550|5.884616|6.536281|4.407853|5.409758|3.125063|2.784571|4.762982|3.131356|3.659122|5.230993|28.669309|6.221380|3.844326|3.409200|2.858965|2.668173|2.869850|3.415266|19.753714|0.301838|0.300685|0.500000| |4.499187|6.429534|0.198349|8.854998|17.796296|8.408218|6.139912|4.316438|3.790459|4.143936|5.806701|10.397686|6.044158|2.758666|6.952401|4.397890|3.447852|2.921724|3.368722|2.221800|1.943478|3.229050|1.938214|2.214039|4.146780|22.120772|5.647227|4.868581|4.278878|4.203013|4.661258|5.474536|5.614475|39.456729|0.125046|0.106831|0.109720|0.500000| |2.893361|3.420256|0.094744|4.540348|6.364293|8.808950|17.732434|8.914263|5.589109|4.860059|5.626303|7.681506|6.441053|3.104959|4.107850|2.996459|2.608396|2.419530|2.919753|2.034356|1.814579|2.946332|1.709999|1.887096|2.574020|15.413864|3.402067|2.727207|2.551449|2.605382|2.869677|3.128396|3.030286|26.601686|0.082693|0.070313|0.077379|0.171321|0.500000| |2.449783|2.703044|0.072027|3.433709|4.032959|5.683217|8.979879|17.718332|8.922681|5.637286|5.022833|6.597984|7.427011|3.896635|3.337632|2.551231|2.370728|2.293822|2.875219|2.068535|1.881295|2.997661|1.705328|1.836485|2.112670|13.172747|2.739601|2.101291|1.978615|1.979703|2.106353|2.256966|2.252146|18.908356|0.069977|0.059943|0.068554|0.101408|0.214850|0.500000| |2.614930|2.753558|0.070388|3.459410|3.634053|4.965147|5.630204|8.905027|17.760353|8.931233|5.699526|7.439037|12.420465|7.378584|3.418935|2.706810|2.669059|2.632553|3.412084|2.484009|2.288045|3.551051|2.004266|2.125345|2.135996|13.501101|2.705551|1.996976|1.864797|1.810796|1.872506|2.007705|2.079055|16.239853|0.074147|0.063291|0.076644|0.086812|0.123934|0.217932|0.500000| |2.642152|2.683040|0.066560|3.198365|3.077951|3.776443|3.703892|4.540518|6.689251|7.072438|4.768344|7.199653|16.444438|17.562744|3.459147|2.865576|3.039215|3.153423|4.317685|3.255636|3.052595|4.519201|2.496892|2.593072|2.164428|14.080278|2.670774|1.904299|1.757211|1.668611|1.699307|1.832551|1.949720|14.597666|0.072702|0.064523|0.081198|0.073530|0.085973|0.112654|0.221933|0.500000| |2.737189|2.687746|0.067419|3.199708|3.079539|3.777597|3.704259|4.539602|6.686153|7.074413|4.770601|7.204999|16.445506|17.563669|3.325227|2.631117|2.776753|2.729868|3.747066|2.708074|2.606495|4.021802|2.282006|2.342400|2.092528|13.387854|2.639189|1.891899|1.778518|1.693435|1.704471|1.805112|1.906069|14.141597|0.078104|0.066378|0.083648|0.073569|0.085975|0.112607|0.221580|0.298873|0.500000| |2.888238|2.778028|0.068070|3.191980|2.922557|3.395852|3.154454|3.594580|4.881288|5.899839|4.403805|7.337181|17.005291|17.652535|3.541939|2.896870|3.241514|3.282538|4.735349|3.449635|3.384044|5.045155|2.846521|2.874982|2.224535|14.498197|2.744140|1.918825|1.780643|1.667614|1.666726|1.780134|1.916910|13.832025|0.079795|0.070490|0.091890|0.069784|0.074461|0.088730|0.144745|0.299788|0.299774|0.500000| |4.413639|5.609450|0.130925|5.015737|4.199145|3.615262|2.968565|2.667307|2.743248|3.207716|3.806335|8.185593|5.576658|2.624622|12.593524|17.675974|8.866082|7.187664|6.393668|3.812644|2.983050|5.034275|3.125403|4.133127|7.566697|51.391918|6.762661|4.222390|3.254100|2.807805|2.868042|3.472560|4.457209|25.782017|0.100029|0.116444|0.124837|0.108455|0.076624|0.065406|0.067996|0.071801|0.065169|0.071391|0.500000| |5.164418|7.120336|0.151857|7.845599|6.069413|5.249368|3.971909|3.493100|3.645202|4.506216|5.807639|13.289810|7.535745|3.318334|12.542351|17.637943|8.836546|6.759497|6.293520|3.821536|3.013538|4.879690|2.983906|3.760619|5.895494|33.592509|5.998261|4.026017|3.211810|2.833493|2.919487|3.497076|4.295469|26.256162|0.118665|0.122683|0.149480|0.141287|0.097924|0.082252|0.086841|0.089926|0.080993|0.087641|0.304509|0.500000| |6.210567|5.988192|0.124658|5.677321|4.171162|3.914610|3.107437|2.941236|3.303056|4.284079|4.895131|12.174658|8.451587|3.728141|8.946249|8.801556|17.597864|8.940366|9.717130|4.870760|3.925299|6.417906|4.253593|5.568033|4.916489|30.704118|5.206341|3.253871|2.774375|2.404958|2.351454|2.627702|3.128796|19.161713|0.136009|0.147031|0.234230|0.098141|0.075926|0.070356|0.082143|0.095559|0.088929|0.106254|0.173983|0.216606|0.500000| |5.445073|5.317877|0.118196|4.408996|3.445329|3.096910|2.552846|2.387360|2.573151|3.112928|3.526872|8.051872|5.882952|2.785639|9.605584|8.908074|17.613725|8.804716|9.258144|4.535432|3.683087|6.518196|4.544670|6.641873|6.198964|44.791976|6.030531|3.493915|2.911722|2.460908|2.377244|2.669263|3.273905|19.146769|0.116643|0.150302|0.178252|0.086358|0.064715|0.058657|0.065141|0.073384|0.068726|0.079577|0.207825|0.174656|0.301519|0.500000| |3.394577|3.663609|0.087035|3.501324|3.008186|2.858696|2.465183|2.358010|2.536302|2.955540|3.187293|6.530936|5.529118|2.728353|6.371389|6.928295|8.819009|17.412638|12.272010|6.790234|4.552546|7.589549|4.668965|7.203843|4.216728|33.505702|4.391286|2.792826|2.347100|2.083025|2.098872|2.402087|2.838615|18.451141|0.080139|0.090620|0.104320|0.076391|0.062868|0.058803|0.065325|0.075822|0.066131|0.077239|0.216355|0.164978|0.174127|0.211906|0.500000| |3.594428|3.928564|0.090927|4.119451|3.517945|3.516872|2.990321|2.913396|3.246524|3.925274|4.144166|8.353057|7.489153|3.576771|6.300454|7.107259|8.919455|17.541753|12.606126|7.636816|4.856840|7.227009|4.245208|5.719086|3.800178|26.573435|4.096773|2.704334|2.300818|2.072807|2.107791|2.407308|2.788195|18.745362|0.086405|0.090669|0.113555|0.085644|0.073909|0.071162|0.082774|0.100609|0.083278|0.099947|0.184713|0.206997|0.213872|0.174024|0.302470|0.500000| |2.505212|2.565201|0.062913|2.578533|2.312112|2.331014|2.109239|2.118297|2.339446|2.644337|2.630197|5.038407|5.175652|2.762473|3.966843|3.695522|4.536244|7.016311|12.241874|17.406389|8.885895|12.496360|5.883086|7.077057|2.675503|20.446465|3.051525|2.021509|1.782302|1.626977|1.640188|1.822071|2.050109|14.333844|0.062416|0.066650|0.077698|0.058808|0.053723|0.054016|0.062907|0.079114|0.066340|0.081106|0.105111|0.099637|0.115324|0.115848|0.198176|0.187128|0.500000| |2.726363|2.789660|0.067343|2.932798|2.618521|2.735044|2.465399|2.532522|2.903817|3.359265|3.213160|6.040897|6.857451|3.681244|4.153589|3.917652|4.849704|7.255496|12.476998|17.555443|8.908694|10.169403|5.060633|5.738486|2.677560|19.257159|3.073731|2.063884|1.826786|1.675768|1.694152|1.879462|2.100788|14.813214|0.068610|0.070234|0.086265|0.064950|0.061376|0.063753|0.078475|0.107245|0.084583|0.109337|0.104834|0.112009|0.134073|0.114982|0.167153|0.236053|0.300603|0.500000| |2.161293|2.132236|0.052981|2.173484|1.972997|2.039178|1.885930|1.949234|2.197200|2.444550|2.323105|4.336024|4.967168|2.835579|3.115746|2.713975|3.273802|4.182617|7.681597|8.840617|17.598979|16.912395|5.891082|5.060562|2.109735|15.607470|2.504126|1.682718|1.524912|1.406896|1.407852|1.530178|1.685898|12.018175|0.055512|0.057411|0.067407|0.050141|0.047937|0.050367|0.061014|0.081241|0.068546|0.087232|0.074024|0.074785|0.091041|0.085920|0.108317|0.115600|0.217218|0.210889|0.500000| |2.536092|2.430633|0.059400|2.480108|2.198455|2.279084|2.069312|2.142667|2.471810|2.844934|2.680129|5.104123|6.062573|3.438828|3.482403|3.025610|3.844215|4.715221|9.547106|8.884332|17.495278|16.554153|7.285970|5.909593|2.312006|16.674326|2.735795|1.821957|1.653617|1.513213|1.500662|1.624519|1.801490|12.563166|0.065054|0.066572|0.081588|0.054998|0.051876|0.054568|0.068276|0.094740|0.081436|0.111012|0.079320|0.083189|0.113129|0.100113|0.112448|0.127639|0.174002|0.217706|0.300121|0.500000| |2.514750|2.348081|0.058379|2.213034|1.939553|1.898941|1.704259|1.694335|1.860190|2.115881|2.135951|4.247830|4.210352|2.258146|3.505116|2.904466|3.720616|4.169491|7.682140|5.065540|5.892941|16.912229|17.603419|8.846210|2.496601|19.469196|2.952808|1.893436|1.719890|1.542734|1.500255|1.613025|1.818720|12.176136|0.063010|0.070426|0.079095|0.049940|0.043824|0.043389|0.050123|0.060844|0.056518|0.068665|0.079033|0.073785|0.100434|0.112563|0.111896|0.098036|0.132005|0.110748|0.132306|0.147623|0.500000| |2.868536|2.617821|0.063839|2.514439|2.169169|2.156035|1.916818|1.925081|2.163445|2.517424|2.500023|5.013487|5.205322|2.791606|3.796479|3.179964|4.266094|4.698770|9.533276|5.906612|7.282808|16.552255|17.497694|8.879480|2.598286|19.222386|3.065207|1.975455|1.796311|1.611291|1.566256|1.682754|1.895897|12.667865|0.072127|0.078130|0.093793|0.054814|0.048567|0.048824|0.058372|0.073773|0.068695|0.087592|0.082903|0.082293|0.123886|0.123586|0.114740|0.112290|0.134656|0.132293|0.147597|0.217217|0.300182|0.500000| |3.605617|3.353319|0.080064|3.030345|2.535400|2.409313|2.083358|2.022191|2.215500|2.608511|2.748984|5.790686|5.143994|2.596783|5.287021|4.581844|6.911099|7.150258|12.421572|5.732546|5.058918|10.176894|8.931583|17.596313|3.692700|29.064903|4.092818|2.512678|2.208913|1.929370|1.867648|2.043622|2.384681|15.105466|0.085229|0.101150|0.117569|0.064409|0.053094|0.050733|0.058040|0.068997|0.064037|0.077289|0.121078|0.108338|0.172409|0.239972|0.181098|0.143622|0.143369|0.127735|0.110699|0.132319|0.211717|0.217836|0.500000| |2.843654|2.802699|0.068597|2.622326|2.279416|2.197294|1.944389|1.901599|2.065735|2.368286|2.455882|4.954425|4.596386|2.381513|4.483021|4.010660|5.334832|6.989403|12.266129|7.093881|5.885050|12.487018|8.880151|17.412386|3.180998|26.170650|3.560022|2.250582|1.975502|1.757992|1.732307|1.910926|2.201577|14.509737|0.068950|0.078971|0.088658|0.058638|0.049982|0.048271|0.054684|0.065272|0.058676|0.070197|0.114586|0.098238|0.127631|0.161056|0.213219|0.145922|0.208761|0.143685|0.131952|0.134779|0.217092|0.173901|0.301234|0.500000| |4.619556|5.139500|0.158458|3.741665|3.300013|2.670084|2.270436|2.007591|1.994850|2.240193|2.638089|5.554440|3.864920|1.881678|8.234128|4.346147|3.697106|2.970879|3.487175|2.178789|1.935716|3.462283|2.194303|2.582439|9.729629|52.907475|25.969838|9.443186|7.034334|4.764820|4.102722|4.474712|6.178231|26.722918|0.110008|0.152856|0.109168|0.095157|0.061508|0.050589|0.050165|0.049986|0.049375|0.051569|0.120420|0.103005|0.094009|0.112826|0.083917|0.076137|0.059443|0.058753|0.049033|0.053115|0.059373|0.060396|0.080774|0.070898|0.500000| |4.276884|4.570581|0.162178|3.592373|3.377339|2.704001|2.337359|2.036330|1.978561|2.177882|2.572863|5.228608|3.675764|1.798063|5.715031|3.173555|2.774361|2.297405|2.788729|1.793162|1.631035|2.879632|1.791688|2.020564|4.821368|26.362597|9.973424|8.936317|17.727636|8.898105|5.632928|4.978438|5.647826|27.460341|0.116579|0.134037|0.096386|0.102169|0.064669|0.051663|0.049618|0.047335|0.048350|0.048677|0.083784|0.082362|0.075641|0.080159|0.062813|0.061201|0.048302|0.049363|0.041801|0.045608|0.048310|0.050416|0.061768|0.054464|0.196974|0.500000| |3.044909|3.375147|0.115611|3.018577|3.115990|2.559527|2.317038|1.997819|1.879501|1.995822|2.326195|4.454059|3.290756|1.634372|4.204804|2.523855|2.198215|1.902957|2.325068|1.539505|1.407377|2.458300|1.494897|1.659696|3.287747|19.204668|5.713941|5.648825|8.940515|17.726315|8.938625|5.679806|4.951982|31.636357|0.086503|0.087524|0.072227|0.099643|0.066641|0.051653|0.047289|0.043492|0.044555|0.043651|0.067797|0.068753|0.060373|0.061455|0.052211|0.052078|0.041718|0.042980|0.036599|0.039365|0.040214|0.041974|0.049421|0.045042|0.111302|0.214792|0.500000| |2.680431|3.162082|0.104816|3.041239|3.375757|2.785167|2.599842|2.190465|1.995474|2.069431|2.418621|4.460076|3.329991|1.656644|4.074603|2.548342|2.152780|1.910676|2.299669|1.547710|1.398556|2.412028|1.443982|1.611747|3.072422|18.244311|4.909766|4.937385|5.630981|8.875468|17.755736|8.921754|5.628440|53.838079|0.074673|0.073781|0.065500|0.114610|0.077790|0.057184|0.049934|0.044800|0.045048|0.043645|0.069891|0.071745|0.058516|0.058586|0.052860|0.053442|0.042281|0.043748|0.036671|0.038893|0.038551|0.040214|0.047133|0.044104|0.092891|0.123760|0.214231|0.500000| 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