Version2.0 2020-07-20T09:38:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 22-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)S(=O)(=O)N2C[C@@H](Oc3c2cccc3)C(=O)NCc4ccc(cc4)n5cc[nH+]c5C C44885632 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)S(=O)(=O)N2C[C@@H](Oc3c2cccc3)C(=O)NCc4ccc(cc4)n5cc[nH+]c5C C01[X(C27H27N4O4S1)] 183 C1 598 Cc1ccc(cc1)S(=O)(=O)N1C[C@@H](Oc2c1cccc2)C(=O)NCc1ccc(cc1)n1cc[nH+]c1C Cc1ccc(cc1)S(=O)(=O)N1C[C@@H](Oc2c1cccc2)C(=O)NCc1ccc(cc1)n1cc[nH+]c1C Cc1ccc(cc1)[S](=O)(=O)N2C[C@@H](Oc3ccccc23)C(=O)NCc4ccc(cc4)n5cc[nH+]c5C InChIKey=VTNAUHOBOHIEEI-AREMUKBSSA-O InChI=1S/C27H26N4O4S/c1-19-7-13-23(14-8-19)36(33,34)31-18-26(35-25-6-4-3-5-24(25)31)27(32)29-17-21-9-11-22(12-10-21)30-16-15-28-20(30)2/h3-16,26H,17-18H2,1-2H3,(H,29,32)/p+1/t26-/m1/s1 InChI=1/C27H26N4O4S/c1-19-7-13-23(14-8-19)36(33,34)31-18-26(35-25-6-4-3-5-24(25)31)27(32)29-17-21-9-11-22(12-10-21)30-16-15-28-20(30)2/h3-16,26H,17-18H2,1-2H3,(H,29,32)/p+1/t26-/m1/s1/fC27H27N4O4S/h28-29H/q+1 Cc1ccc(cc1)S(=O)(=O)N2C[C@@H](Oc3c2cccc3)C(=O)NCc4ccc(cc4)n5cc[nH+]c5C C01[X(C27H27N4O4S1)] 183 C01 598 Cc1ccc(cc1)S(=O)(=O)N1C[C@@H](Oc2c1cccc2)C(=O)NCc1ccc(cc1)n1cc[nH+]c1C C[C]1[CH][CH][C]([CH][CH]1)S(=O)(=O)N1C[C@@H](O[C]2[C]1[CH][CH][CH][CH]2)C(=O)NC[C]1[CH][CH][C]([CH][CH]1)[N]1[C]([NH]C=C1)C C[C]1[CH][CH][C]([CH][CH]1)[S](=O)(=O)N2C[C@@H](O[C]3[CH][CH][CH][CH][C]23)C(=O)NC[C]4[CH][CH][C]([CH][CH]4)N5C=CN[C]5C InChIKey=XWGJULNDNROJHO-AREMUKBSSA-N InChI=1S/C27H27N4O4S/c1-19-7-13-23(14-8-19)36(33,34)31-18-26(35-25-6-4-3-5-24(25)31)27(32)29-17-21-9-11-22(12-10-21)30-16-15-28-20(30)2/h3-16,26,28H,17-18H2,1-2H3,(H,29,32)/t26-/m1/s1 InChI=1/C27H27N4O4S/c1-19-7-13-23(14-8-19)36(33,34)31-18-26(35-25-6-4-3-5-24(25)31)27(32)29-17-21-9-11-22(12-10-21)30-16-15-28-20(30)2/h3-16,26,28H,17-18H2,1-2H3,(H,29,32)/t26-/m1/s1/f/h29H 3870.4768480744 -1952.6903878 1-A 30297.6279 132 466 598 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.25761 -20.66932 -20.60493 -20.60382 -20.60277 -15.81094 -15.80954 -15.66835 -15.66485 -11.51583 -11.43571 -11.43204 -11.42742 -11.41254 -11.39721 -11.37067 -11.36735 -11.36723 -11.36362 -11.36356 -11.35705 -11.35257 -11.34412 -11.33547 -11.33417 -11.31839 -11.31232 -11.30906 -11.30817 -11.29758 -11.29686 -11.29219 -11.29116 -11.29099 -11.28610 -11.27755 -9.23010 -6.91624 -6.91596 -6.91491 -1.56823 -1.52935 -1.50387 -1.47118 -1.41102 -1.40176 -1.32674 -1.32116 -1.28043 -1.24359 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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| 5.0151 11.5263 12.3054 18.5130 27.2674 33.4827 41.0214 44.7931 53.5907 57.0095 65.5442 72.3675 85.3856 92.9925 110.5259 137.4244 154.0370 162.6821 186.4043 213.3885 222.1578 247.8949 270.1087 286.2473 298.7092 306.6978 315.6743 330.1435 346.2224 361.2122 374.9121 379.0605 410.7640 437.6838 453.6565 455.9088 460.1927 463.7700 477.2162 493.4136 513.9414 536.1764 547.8106 552.3650 584.6189 592.7075 618.8068 631.4592 640.9133 650.7569 654.6888 678.6039 687.2884 695.0590 700.7901 719.3010 730.7986 740.4799 752.1228 766.1347 776.1531 788.4803 816.6394 828.0126 847.2077 861.3988 861.8953 874.9285 884.1519 889.1631 922.8173 948.8443 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16.58 17.70 26.64 39.23 48.17 59.02 64.45 77.11 82.02 94.30 104.12 122.85 133.80 159.02 197.72 221.62 234.06 268.19 307.02 319.64 356.67 388.63 411.85 429.78 441.27 454.18 475.00 498.14 519.70 539.41 545.38 591.00 629.73 652.71 655.95 662.11 667.26 686.61 709.91 739.45 771.44 788.18 794.73 841.14 852.77 890.32 908.53 922.13 936.29 941.95 976.36 988.85 1000.03 1008.28 1034.91 1051.46 1065.39 1082.14 1102.30 1116.71 1134.45 1174.96 1191.33 1218.94 1239.36 1240.08 1258.83 1272.10 1279.31 1327.73 1365.18 1370.25 1374.32 1403.32 1405.45 1442.16 1454.96 1463.51 1466.04 1557.60 1565.19 1574.20 1574.87 1577.18 1586.70 1602.36 1605.17 1606.89 1608.94 1621.28 1624.08 1636.77 1682.11 1689.29 1692.30 1695.43 1701.99 1713.76 1724.48 1728.17 1735.84 1749.79 1764.09 1786.22 1805.28 1819.53 1831.00 1870.34 1873.16 1885.46 1895.19 1899.92 1904.34 1919.59 1934.89 1993.74 2006.53 2037.60 2044.16 2053.22 2075.59 2080.22 2082.82 2100.45 2111.27 2119.34 2163.13 2170.73 2208.05 2236.02 2245.21 2256.99 2260.43 2273.66 2312.41 2315.30 2342.31 2345.29 2351.95 2354.16 2357.09 2401.29 2411.29 2418.33 2445.20 2461.27 2475.08 2544.67 2557.59 2574.38 2592.11 2597.88 2604.46 2607.11 2782.46 4620.63 4660.21 4684.60 4692.90 4702.28 4706.28 4740.33 4772.08 4772.60 4793.02 4848.17 4850.86 4852.16 4858.44 4862.91 4873.45 4874.60 4885.08 4887.90 4898.66 4913.80 4920.41 4921.24 5016.70 5046.10 5568.35 5609.07 0.544784 0.574874 0.575818 0.475131 -1952.145604 -1952.115514 -1952.114570 -1952.215257 3.377059D-04 MUNgauss RevisionA2.0 retrievium 20-Jul-2020 DUDE Cc1ccc(cc1)S(=O)(=O)N2C[C@@H](Oc3c2cccc3)C(=O)NCc4ccc(cc4)n5cc[nH+]c5C C44885632 RHF 6-31G(d) (6D,10F) C1 503.175302 |X|Y|Z| 54.748025 36.943403 161.043335 68.804372 31 6 7 8 16 25 4 1 1 |36.858105| |12.620410|36.858105| |7.546409|13.734115|36.858105| |5.008639|7.889716|13.733068|36.858105| |4.446807|6.865862|7.978515|13.785834|36.858105| |5.024083|7.889701|6.869278|7.894792|13.694331|36.858105| |7.564030|13.633593|7.951344|6.868602|7.979339|13.832239|36.858105| |3.152839|4.202539|4.751131|6.999316|10.831598|6.990579|4.757451|388.023441| |2.872542|3.684707|3.888389|5.071079|7.303962|6.240768|4.349779|94.635113|73.516695| |2.869545|3.686193|4.444714|6.565004|7.337254|4.924657|3.825488|94.500357|13.701200|73.516695| |2.848637|3.641436|3.917167|5.140361|7.009183|5.754079|4.175622|80.599791|13.707370|13.279099|53.358707| |2.370612|2.894126|3.034895|3.743427|4.740885|4.275635|3.301784|51.134821|12.102721|10.043503|17.696570|36.858105| |2.105824|2.519158|2.715873|3.337371|3.904013|3.390874|2.748030|41.275242|9.486980|10.066597|10.622577|12.486175|36.858105| |2.132275|2.564304|2.813385|3.523369|4.075781|3.424134|2.766038|45.801042|10.629502|12.384495|9.540488|8.891905|17.578694|0.500000| |2.081037|2.467638|2.701497|3.288407|3.655845|3.138008|2.620227|35.200797|7.441994|9.242061|9.208571|7.845950|13.504313|0.260140|73.516695| |2.331168|2.799147|3.104930|3.815555|4.179183|3.516161|2.942293|37.777684|7.347334|9.729626|10.672599|7.004926|7.955447|0.181451|24.928948|36.858105| |2.770706|3.462218|3.838601|4.906060|5.731297|4.674020|3.731596|50.932154|8.952169|11.409613|18.107091|7.972756|6.789445|0.164582|14.056915|13.724566|36.858105| |3.135885|3.922426|4.353297|5.283637|5.700317|4.823569|4.093485|39.832016|7.308593|9.050577|10.524107|5.246485|4.544662|0.115755|9.260594|7.953364|13.716748|36.858105| |2.819695|3.337510|3.716969|4.219237|4.185028|3.660698|3.324469|29.161307|5.702114|7.195885|6.958839|4.028634|3.801396|0.097464|8.207538|6.877778|7.918075|13.794314|36.858105| |2.361812|2.734892|3.044955|3.473091|3.459073|3.021920|2.732045|25.959943|5.222201|6.736569|6.165231|3.887669|3.980425|0.100880|9.383589|7.959184|6.866510|7.959246|13.727083|36.858105| |2.189611|2.558054|2.842271|3.343993|3.452968|2.977570|2.611426|28.275241|5.713720|7.504165|6.995885|4.681322|5.230398|0.127929|14.474156|13.743837|7.914128|6.884064|7.934478|13.801279|36.858105| |1.823843|2.125407|2.245238|2.652288|3.036036|2.766780|2.315649|29.198376|7.365259|7.117522|6.829574|7.568803|12.527284|0.251530|14.148056|5.264160|4.532938|3.427503|3.026536|3.220162|4.082302|36.858105| |1.773038|2.055624|2.139101|2.498165|2.892622|2.705620|2.266629|27.385068|7.450862|6.450403|6.065604|6.624839|8.063479|0.194881|9.652932|4.106279|3.820697|3.009063|2.641568|2.732533|3.296115|15.821689|73.516695| |1.667184|1.912857|2.026008|2.351491|2.605265|2.382615|2.047853|23.689939|5.787603|5.992689|5.444452|5.276936|7.804193|0.174811|12.981777|4.890153|3.951107|3.121444|2.894223|3.209899|4.139644|14.178508|15.090667|53.358707| |1.489023|1.682064|1.762229|2.003881|2.197922|2.052478|1.796465|19.224113|4.825448|4.830491|4.244606|3.932225|5.005120|0.122683|8.370196|3.589742|3.057429|2.542460|2.399536|2.632896|3.222899|7.811133|12.192730|17.911838|36.858105| |1.403102|1.576945|1.659673|1.881667|2.039056|1.895136|1.670261|17.750691|4.515261|4.567411|3.716319|3.311704|4.178647|0.111762|6.894658|3.046625|2.650681|2.239296|2.121251|2.309993|2.770223|5.885788|10.090589|10.467764|12.529697|36.858105| |1.317113|1.468694|1.553557|1.747887|1.859287|1.721612|1.536364|15.849021|3.961356|4.159326|3.269328|2.791391|3.467177|0.094613|6.066541|2.768216|2.391905|2.062742|1.994997|2.199677|2.612840|4.378525|7.270654|7.661572|7.529657|13.714461|36.858105| |1.246466|1.382225|1.463190|1.636819|1.726450|1.600126|1.438020|14.554604|3.667632|3.851657|2.916243|2.434956|2.946960|0.083062|5.102114|2.398087|2.118139|1.852018|1.792607|1.954705|2.274230|3.538304|6.092128|5.647505|4.999864|7.888018|13.747192|36.858105| |1.248636|1.385582|1.462051|1.636057|1.735064|1.614070|1.447419|14.683034|3.779457|3.864586|2.885796|2.417558|2.879422|0.082823|4.801107|2.269905|2.049941|1.790515|1.710726|1.834293|2.114124|3.456547|6.244057|5.163456|4.444326|6.886911|7.999525|13.791089|36.858105| |1.319818|1.473693|1.547672|1.741971|1.875743|1.752049|1.555833|16.129434|4.245311|4.178803|3.172224|2.724989|3.238975|0.093350|5.164423|2.409310|2.200653|1.898335|1.784579|1.892437|2.189129|4.051082|7.741793|5.782266|5.009261|7.900099|6.874486|7.896092|13.761519|36.858105| |1.403539|1.578540|1.654501|1.875996|2.047437|1.913040|1.680959|17.920897|4.711613|4.574487|3.637574|3.248785|3.963700|0.110486|6.164650|2.783140|2.510101|2.125677|1.982971|2.111366|2.485046|5.465184|10.682808|7.987487|7.537415|13.668509|7.944654|6.855322|7.985112|13.780758|36.858105| |1.173318|1.292786|1.363394|1.513104|1.589566|1.483096|1.342311|13.224800|3.409943|3.494227|2.551139|2.089319|2.425497|0.070518|4.075655|1.979005|1.813779|1.608261|1.542988|1.642662|1.861185|2.786282|5.054411|4.039697|3.324147|4.524195|5.143260|7.808158|13.186031|7.808166|5.142733|53.358707| |1.180332|1.299465|1.378793|1.530203|1.592644|1.476022|1.339823|13.197312|3.388418|3.540030|2.497409|2.009242|2.327522|0.068981|3.932193|1.930566|1.778665|1.584599|1.522181|1.616219|1.820541|2.582184|4.633180|3.673041|2.882598|3.717703|4.146930|5.698357|7.581253|5.671669|4.136476|18.680170|36.858105| |1.098856|1.200708|1.268252|1.394173|1.444692|1.349057|1.234897|11.777502|3.029896|3.135942|2.221163|1.769396|2.005957|0.059010|3.404609|1.700758|1.583412|1.427729|1.376301|1.452985|1.615503|2.198080|3.968636|3.103918|2.434865|3.016265|3.317041|4.312278|5.309552|4.311970|3.317301|11.822783|14.261639|36.858105| |1.052693|1.147052|1.203392|1.317480|1.372223|1.292265|1.184852|11.140907|2.877345|2.926178|2.126443|1.706678|1.918075|0.055574|3.251096|1.625025|1.514684|1.368732|1.320369|1.392909|1.545812|2.134093|3.890720|3.035511|2.443991|3.034388|3.335923|4.347888|5.390247|4.366993|3.345150|12.167436|8.767522|13.779803|53.358707| |1.000163|1.084847|1.134327|1.234912|1.283886|1.215104|1.119588|10.328816|2.669002|2.699404|1.971101|1.574097|1.748702|0.050427|2.972315|1.499317|1.405223|1.278352|1.235683|1.299379|1.431772|1.932683|3.530574|2.738796|2.199864|2.663089|2.895393|3.622928|4.281717|3.641660|2.905566|8.390960|6.074825|8.970171|25.988062|0.500000| |1.091354|1.194105|1.251192|1.375989|1.443588|1.359957|1.239906|11.832480|3.060585|3.091831|2.286747|1.862100|2.112594|0.060711|3.563560|1.757950|1.626596|1.458259|1.403531|1.486658|1.664667|2.409509|4.413296|3.474745|2.882624|3.728961|4.151972|5.719205|7.731317|5.763793|4.169477|19.630957|8.632945|8.597895|19.624155|0.257244|36.858105| |1.051924|1.147440|1.193908|1.306872|1.377390|1.309440|1.196547|11.221188|2.909290|2.890998|2.197469|1.800820|2.016852|0.056926|3.403992|1.685514|1.563318|1.406658|1.355427|1.433720|1.599901|2.329948|4.307970|3.384032|2.892319|3.664375|4.001482|5.110714|6.229655|5.177483|4.033907|10.313812|5.204882|5.200758|10.342877|0.189866|12.766167|36.858105| |17.547945|8.872429|5.977580|4.338396|3.994934|4.581018|6.629779|20.876434|4.919925|4.752808|3.560043|2.223918|1.982218|0.056077|3.439862|2.128502|2.495096|2.739870|2.465139|2.111439|1.989610|1.736857|3.032227|2.157041|1.425872|1.352252|1.268809|1.206829|1.215619|1.287254|1.362238|1.561552|1.155903|1.079813|1.408486|0.027359|1.070034|1.031366|0.500000| |17.560302|8.854949|5.800904|4.262926|3.984520|4.643096|6.851947|20.792928|4.767109|4.682379|3.746936|2.312682|2.039775|0.056609|3.600552|2.276773|2.702247|3.103099|2.817904|2.345292|2.154667|1.779797|3.077007|2.224114|1.464758|1.371668|1.286814|1.213676|1.212255|1.281005|1.366941|1.547497|1.138319|1.060885|1.389321|0.026975|1.060533|1.027115|0.302263|0.500000| |17.593805|8.838122|7.230299|4.740669|3.973987|4.171364|5.573546|20.758170|4.667407|4.894714|3.598078|2.211676|2.004921|0.056613|3.568953|2.254234|2.633999|2.999476|2.778042|2.344545|2.152908|1.739458|2.987445|2.184792|1.435715|1.358485|1.284403|1.218932|1.217388|1.278647|1.353966|1.561980|1.158680|1.080238|1.405301|0.027262|1.067401|1.026488|0.301712|0.301440|0.500000| |6.984457|8.918939|17.722758|8.946865|5.671793|4.950522|5.646734|27.927130|5.826665|6.945797|4.535264|2.665311|2.456773|0.070905|4.416077|2.840653|3.374810|3.835147|3.471789|2.903269|2.678203|2.059069|3.476349|2.567650|1.652894|1.567552|1.482094|1.403343|1.398424|1.467957|1.557769|1.785397|1.332887|1.230420|1.585583|0.030551|1.205887|1.148352|0.155673|0.148913|0.221296|0.500000| |4.081148|5.622042|8.881688|17.761183|8.938393|5.632579|4.953193|47.493642|8.417571|13.650202|6.681561|3.661449|3.442656|0.103353|6.168590|4.022101|4.932441|5.133595|4.290706|3.662858|3.566940|2.711638|4.474511|3.305495|2.056671|1.946710|1.822995|1.711555|1.704455|1.801992|1.931849|2.147455|1.606433|1.457914|1.862597|0.035528|1.426449|1.345511|0.100509|0.098447|0.112625|0.214994|0.500000| |4.095316|5.620628|4.952275|5.630954|8.890240|17.744334|8.926628|47.391546|12.203114|8.045260|8.125401|4.702726|3.547189|0.097822|5.644040|3.460530|4.531841|4.439323|3.388087|2.865803|2.885863|2.939819|5.216762|3.388332|2.152014|1.973065|1.771151|1.639549|1.661338|1.821945|2.005209|2.067913|1.501016|1.370783|1.796506|0.034474|1.395456|1.350525|0.107575|0.109466|0.095965|0.107520|0.124082|0.500000| |7.029681|8.888035|5.650923|4.949389|5.666144|8.971928|17.712925|27.941382|6.738936|5.702194|4.926436|3.001161|2.497268|0.069118|4.217096|2.624827|3.244163|3.526062|2.944605|2.459325|2.354783|2.156349|3.796024|2.608870|1.702913|1.582562|1.454985|1.363751|1.375144|1.479601|1.596671|1.739770|1.271356|1.177120|1.544826|0.029884|1.187542|1.152037|0.185696|0.197970|0.140888|0.124087|0.107522|0.215824|0.500000| |2.273565|2.724016|2.795659|3.321246|4.095192|3.897409|3.116226|38.267703|9.132371|7.809478|12.591574|17.595937|8.821016|0.173807|12.439436|6.585521|7.240871|5.162236|4.070176|3.940077|4.674652|6.887775|10.835523|7.098512|3.989459|3.225828|2.721313|2.346559|2.303252|2.578262|3.097170|2.705502|1.891560|1.677055|2.224806|0.042067|1.789977|1.754453|0.059083|0.062665|0.058861|0.068722|0.089188|0.120389|0.080462|0.500000| |2.336803|2.842574|2.928069|3.566945|4.605086|4.321681|3.306373|49.441400|14.620916|9.322848|12.351499|17.728994|8.862906|0.215879|10.113641|5.066635|5.732467|4.246097|3.353517|3.206227|3.716282|6.884606|12.702757|6.410143|3.727563|3.242431|2.700628|2.394321|2.432972|2.799981|3.320531|2.877530|2.031863|1.794635|2.360497|0.044474|1.890587|1.829844|0.061841|0.063072|0.060053|0.071158|0.095459|0.138154|0.084592|0.301267|0.500000| |3.724196|4.839563|5.188393|6.101712|6.780663|6.051812|5.167499|40.291123|7.520523|8.528772|9.690642|4.783467|3.949680|0.102886|7.481349|5.666036|8.958546|17.762184|8.922861|5.653377|4.961851|3.075414|4.962853|3.765893|2.306407|2.054264|1.889136|1.713523|1.673495|1.781646|1.979974|2.062128|1.495650|1.356317|1.772627|0.033908|1.381977|1.335716|0.088376|0.103303|0.096627|0.121331|0.150348|0.148371|0.120603|0.130754|0.113570|0.500000| |2.953810|3.399792|3.733858|3.989759|3.822243|3.460102|3.294972|25.110716|5.057425|6.160749|5.646395|3.354317|3.142677|0.081895|6.512841|4.956033|5.640785|8.939425|17.736177|8.892777|5.644148|2.592356|4.109616|3.394770|2.121489|1.896746|1.797599|1.631068|1.560999|1.621471|1.784030|1.933799|1.405077|1.280113|1.674444|0.032119|1.301327|1.259598|0.070738|0.083256|0.081912|0.099048|0.110691|0.087938|0.081898|0.094704|0.080338|0.215077|0.500000| |2.183394|2.464483|2.723998|3.010847|2.941621|2.620252|2.428600|21.646932|4.488563|5.663682|4.910479|3.209352|3.324217|0.085540|7.585041|5.660575|4.949260|5.654516|8.902320|17.725131|8.957277|2.814262|4.304217|3.910663|2.425467|2.151191|2.084203|1.863742|1.737420|1.771746|1.957579|2.132289|1.543592|1.395325|1.823410|0.034818|1.425150|1.376853|0.054426|0.060510|0.060899|0.073716|0.088357|0.069113|0.061485|0.090890|0.075726|0.124171|0.214117|0.500000| |1.954998|2.245254|2.477693|2.866908|2.939701|2.573129|2.284269|24.175568|5.083155|6.528998|5.695918|4.078833|4.830842|0.119508|13.361224|8.969939|5.651061|4.959446|5.631706|8.879518|17.735103|4.049761|5.754020|5.973739|3.446649|2.961601|2.854645|2.455993|2.236365|2.280305|2.588113|2.663940|1.907790|1.685775|2.196521|0.041419|1.744372|1.675486|0.049851|0.053433|0.053649|0.065685|0.085369|0.069888|0.057881|0.113603|0.092733|0.107708|0.123788|0.214287|0.500000| |1.691127|1.939970|2.074487|2.411341|2.629900|2.375462|2.053859|23.626703|5.548828|6.126354|5.493780|5.013869|7.491754|0.168359|15.734648|5.667675|4.244435|3.350252|3.182443|3.668737|4.964760|9.465180|10.893416|26.084209|8.951052|6.184698|5.213921|3.906874|3.466328|3.694638|4.733631|3.781387|2.572156|2.185072|2.886156|0.053312|2.397024|2.318302|0.044366|0.046053|0.045495|0.053961|0.069914|0.067925|0.053093|0.138255|0.119011|0.080575|0.075244|0.091149|0.153796|0.500000| |1.427924|1.601115|1.676141|1.888197|2.046832|1.918023|1.698286|17.472520|4.310288|4.408216|3.878549|3.463023|4.259703|0.104327|7.685374|3.425876|2.883540|2.450648|2.366288|2.638977|3.212468|5.829829|9.000680|12.613016|17.605800|8.888006|7.219733|4.747703|3.995831|4.199260|5.628103|4.189357|2.679070|2.296535|3.159486|0.058513|2.721548|2.768048|0.037883|0.039183|0.038398|0.043933|0.053880|0.055484|0.044836|0.099894|0.089628|0.061490|0.058425|0.068609|0.097899|0.228314|0.500000| |1.482084|1.671091|1.730606|1.956434|2.170556|2.061479|1.803205|18.843989|4.839050|4.605011|4.182154|3.951957|4.678114|0.113514|7.462276|3.321183|2.936650|2.461217|2.296091|2.466287|2.950035|7.328807|13.349184|12.569517|17.632880|8.896952|5.722710|4.233624|3.998018|4.705709|7.056989|4.191347|2.662767|2.290996|3.171269|0.058836|2.741537|2.815243|0.039556|0.040650|0.039472|0.044866|0.055092|0.060837|0.047859|0.114304|0.107217|0.062906|0.056789|0.062987|0.085364|0.182707|0.302861|0.500000| |1.302688|1.448398|1.534099|1.719525|1.816692|1.681392|1.508210|15.311229|3.762888|4.026034|3.200492|2.696090|3.331585|0.089246|6.103944|2.817849|2.395976|2.083805|2.046995|2.292904|2.731881|4.070793|6.529848|7.397046|6.977687|8.902661|17.719140|8.959828|5.681779|4.952943|5.643290|5.682198|3.537929|2.930189|4.003868|0.072337|3.533905|3.461374|0.034723|0.035457|0.035393|0.040796|0.049901|0.047821|0.039669|0.074034|0.071128|0.052638|0.051252|0.060965|0.084797|0.150249|0.218662|0.145567|0.500000| |1.188873|1.310902|1.389809|1.544897|1.613107|1.495263|1.354506|13.403846|3.347309|3.567630|2.672777|2.189123|2.612900|0.073713|4.626908|2.221453|1.964471|1.740425|1.703416|1.864550|2.146964|3.025363|5.157578|4.788717|4.076988|5.618974|8.886561|17.719647|8.906995|5.626635|4.943019|9.756841|5.644617|4.441725|6.081240|0.104147|5.634510|4.954997|0.031969|0.032166|0.032431|0.037252|0.045001|0.042309|0.035705|0.058823|0.059463|0.044765|0.043319|0.049908|0.064823|0.095242|0.112613|0.097529|0.215531|0.500000| |1.308220|1.458028|1.525318|1.711123|1.845937|1.734124|1.542513|15.785952|4.231028|4.062597|3.046516|2.594832|2.996436|0.087517|4.709931|2.237342|2.084759|1.809974|1.691294|1.771589|2.024179|3.633298|7.171444|4.934526|4.084094|5.624270|4.952956|5.629038|8.902202|17.718846|8.909061|9.770713|5.607738|4.446169|6.136377|0.105235|5.714645|5.063994|0.035631|0.035201|0.035141|0.040156|0.048969|0.050232|0.040866|0.067798|0.075530|0.047650|0.042909|0.046037|0.057847|0.088376|0.096553|0.111218|0.107527|0.123922|0.500000| |1.465851|1.656202|1.724193|1.960385|2.173300|2.047313|1.783559|19.224833|5.187391|4.789573|3.916239|3.599375|4.273135|0.118037|6.311612|2.855501|2.628726|2.209339|2.028712|2.129297|2.495439|6.117793|13.743543|7.990345|7.020367|8.917118|5.654333|4.946187|5.669322|8.939605|17.758775|5.676245|3.525948|2.928901|4.014343|0.072608|3.547264|3.490375|0.039598|0.039683|0.039034|0.044745|0.055550|0.060354|0.047179|0.095045|0.105455|0.057583|0.050638|0.054352|0.070842|0.127198|0.142515|0.208810|0.124155|0.107413|0.214936|0.500000| |1.246658|1.379124|1.474119|1.647277|1.708911|1.567993|1.417734|14.285258|3.645510|3.893048|2.678650|2.144330|2.519577|0.075968|4.262325|2.082311|1.910222|1.692518|1.623246|1.727484|1.956656|2.754296|4.874329|3.893520|2.966451|3.792865|4.193001|5.511980|6.843259|5.459353|4.168972|12.084862|17.848591|8.683685|8.034217|0.126896|5.935163|4.135056|0.033853|0.033275|0.034044|0.039609|0.048398|0.044094|0.037161|0.055464|0.059998|0.044217|0.041459|0.045680|0.056972|0.076358|0.075997|0.075062|0.099979|0.149213|0.147081|0.099299|0.500000| |1.071552|1.166611|1.233371|1.350079|1.390319|1.298432|1.194479|11.233302|2.883921|3.000332|2.100512|1.654733|1.859456|0.054885|3.169689|1.601114|1.499816|1.361731|1.315360|1.383785|1.526821|2.003078|3.605588|2.805119|2.165867|2.609286|2.836503|3.530497|4.131825|3.528740|2.835970|7.986221|8.680475|17.848230|12.054566|0.208816|5.912543|4.131412|0.029308|0.028689|0.029333|0.033367|0.039269|0.036509|0.031634|0.043513|0.046620|0.036054|0.034126|0.037012|0.044108|0.055290|0.057042|0.056835|0.071131|0.101848|0.101852|0.071085|0.192324|0.500000| |1.050840|1.146266|1.193616|1.306714|1.375891|1.306708|1.194326|11.204957|2.880541|2.888218|2.218508|1.821414|2.051962|0.057342|3.505133|1.731490|1.592007|1.432760|1.388235|1.478666|1.655267|2.385504|4.350582|3.545431|3.093616|3.934177|4.499490|5.777631|6.270085|4.980364|4.093629|9.152923|4.681805|4.484737|8.068410|0.149104|8.970209|17.601653|0.028530|0.028563|0.028510|0.031908|0.037402|0.037401|0.031925|0.049629|0.050938|0.037624|0.035797|0.039571|0.048525|0.067847|0.084033|0.082723|0.109651|0.160630|0.126446|0.096513|0.107529|0.101332|0.500000| |1.079917|1.180456|1.223696|1.341429|1.424170|1.359612|1.238092|11.652249|3.051410|2.975046|2.286763|1.892670|2.107267|0.059294|3.504591|1.728372|1.611399|1.443943|1.381816|1.454376|1.625227|2.468381|4.659504|3.542307|3.062378|3.882433|4.000980|4.838631|6.161930|5.796568|4.490980|9.067599|4.672150|4.501129|8.135403|0.150983|8.970800|17.595159|0.029447|0.029312|0.029168|0.032558|0.038196|0.039176|0.033176|0.051280|0.053894|0.038181|0.035614|0.038602|0.046995|0.066314|0.079963|0.084719|0.094470|0.122440|0.164352|0.109854|0.107190|0.101802|0.301631|0.500000| 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