Version2.0 2020-02-04T20:41:47Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 19-Oct-2019 # opt=(rfo,maxstep=1) freq hf/6-31g(d) iop(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)[C@H]2Nc3ccccc3-c4n2c(nn4)SCC(=O)NCCC5[NH+]=c6ccccc6=[NH+]5 C64568232 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)[C@H]2Nc3ccccc3-c4n2c(nn4)SCC(=O)NCCC5[NH+]=c6ccccc6=[NH+]5 C01[X(C27H27N7O1S1)] 183 C1 598 O=C(CSc1nnc2n1[C@H](Nc1c2cccc1)c1ccc(cc1)C)NCCC1[NH+]=c2c(=[NH+]1)cccc2 O=C(CSc1nnc2n1[C@H](Nc1c2cccc1)c1ccc(cc1)C)NCCC1[NH+]=c2c(=[NH+]1)cccc2 Cc1ccc(cc1)[C@H]2Nc3ccccc3c4nnc(SCC(=O)NCCC5[NH+]=C6C=CC=CC6=[NH+]5)n24 InChIKey=FJOHFMRNDKQZTI-VWLOTQADSA-P InChI=1S/C27H25N7OS/c1-17-10-12-18(13-11-17)25-31-20-7-3-2-6-19(20)26-32-33-27(34(25)26)36-16-24(35)28-15-14-23-29-21-8-4-5-9-22(21)30-23/h2-13,23,25,31H,14-16H2,1H3,(H,28,35)/p+2/t25-/m0/s1 InChI=1/C27H25N7OS/c1-17-10-12-18(13-11-17)25-31-20-7-3-2-6-19(20)26-32-33-27(34(25)26)36-16-24(35)28-15-14-23-29-21-8-4-5-9-22(21)30-23/h2-13,23,25,31H,14-16H2,1H3,(H,28,35)/p+2/t25-/m0/s1/fC27H27N7OS/h28-30H/q+2 Cc1ccc(cc1)[C@H]2Nc3ccccc3-c4n2c(nn4)SCC(=O)NCCC5[NH+]=c6ccccc6=[NH+]5 C01[X(C27H27N7O1S1)] 183 C01 598 O=C(CSc1nnc2n1[C@H](Nc1c2cccc1)c1ccc(cc1)C)NCCC1[NH+]=c2c(=[NH+]1)cccc2 O=C(CS[C@H]1NN[C@H]2N1[C@H](Nc1c2cccc1)c1ccc(cc1)C)NCC[C@@H]1N[C@@H]2[C@H](N1)C=CC=C2 Cc1ccc(cc1)[C@H]2Nc3ccccc3[C@H]4NN[C@H](SCC(=O)NCC[C@@H]5N[C@H]6C=CC=C[C@H]6N5)N24 InChIKey=AZSBAEXOHNHRLB-MQCODARXSA-N InChI=1S/C27H33N7OS/c1-17-10-12-18(13-11-17)25-31-20-7-3-2-6-19(20)26-32-33-27(34(25)26)36-16-24(35)28-15-14-23-29-21-8-4-5-9-22(21)30-23/h2-13,21-23,25-27,29-33H,14-16H2,1H3,(H,28,35)/t21-,22+,23+,25-,26-,27-/m0/s1 InChI=1/C27H33N7OS/c1-17-10-12-18(13-11-17)25-31-20-7-3-2-6-19(20)26-32-33-27(34(25)26)36-16-24(35)28-15-14-23-29-21-8-4-5-9-22(21)30-23/h2-13,21-23,25-27,29-33H,14-16H2,1H3,(H,28,35)/t21-,22+,23+,25-,26-,27-/m0/s1/f/h28H 4118.2552876666 -1891.1613952 1-A 17678.7594 130 468 598 |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| -92.15100 -20.73227 -15.95893 -15.94915 -15.83060 -15.79747 -15.79038 -15.78679 -15.75488 -11.65243 -11.64368 -11.59862 -11.56042 -11.55937 -11.55096 -11.53492 -11.53459 -11.52366 -11.51564 -11.51033 -11.49203 -11.48942 -11.46335 -11.46027 -11.41553 -11.41438 -11.40838 -11.40562 -11.40405 -11.40368 -11.40163 -11.39499 -11.39081 -11.38895 -11.38608 -11.36312 -9.16002 -6.84280 -6.84131 -6.83900 -1.69641 -1.62356 -1.60251 -1.56317 -1.47741 -1.45345 -1.44722 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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| 18.6240 21.7422 33.5806 36.7596 41.5276 48.6569 53.5579 63.2422 71.8188 89.5121 97.6314 116.3430 130.9630 142.9379 152.0353 165.1459 168.2118 186.3160 210.7335 225.2975 240.8704 250.7083 272.1092 277.9397 300.3554 319.2751 351.6275 358.6567 384.5918 400.3965 405.9346 420.8671 457.5358 462.1666 464.2817 481.7920 493.4685 503.7636 520.8725 528.9395 531.3309 539.3960 556.6537 561.6597 584.2360 588.1344 601.2366 612.6045 616.0041 638.9068 658.2859 692.0027 702.8065 750.3316 756.3799 785.2514 789.6282 796.6373 807.1179 814.3709 826.9461 839.5536 848.4765 854.4478 868.6474 873.4640 879.6612 890.2117 910.3855 918.1143 935.4747 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0.00745 0.00373 0.00293 0.15525 0.07781 0.06096 26.80 31.28 48.32 52.89 59.75 70.01 77.06 90.99 103.33 128.79 140.47 167.39 188.43 205.66 218.74 237.61 242.02 268.07 303.20 324.15 346.56 360.71 391.50 399.89 432.14 459.37 505.91 516.03 553.34 576.08 584.05 605.53 658.29 664.95 668.00 693.19 709.99 724.80 749.42 761.03 764.47 776.07 800.90 808.10 840.59 846.19 865.05 881.40 886.29 919.24 947.13 995.64 1011.18 1079.56 1088.26 1129.80 1136.10 1146.18 1161.26 1171.70 1189.79 1207.93 1220.77 1229.36 1249.79 1256.72 1265.64 1280.82 1309.84 1320.96 1345.94 1353.72 1364.88 1384.76 1390.02 1397.79 1425.01 1441.67 1449.32 1459.78 1546.64 1558.77 1567.73 1568.84 1581.51 1594.84 1607.11 1610.18 1626.25 1627.11 1631.51 1669.12 1670.31 1688.86 1699.76 1707.95 1710.05 1722.24 1736.65 1751.27 1763.39 1791.65 1808.89 1822.48 1844.23 1871.26 1880.50 1880.68 1886.35 1894.06 1916.08 1927.02 1949.12 1951.83 1994.52 2012.73 2021.88 2039.18 2043.50 2064.78 2086.72 2096.00 2113.82 2149.41 2153.43 2168.64 2186.14 2204.20 2209.13 2230.54 2257.74 2258.34 2262.64 2281.55 2318.65 2328.38 2330.80 2333.71 2347.16 2348.04 2352.30 2371.16 2422.09 2433.02 2455.70 2469.59 2488.97 2519.30 2546.17 2567.40 2597.86 2612.90 2615.27 2617.50 2717.41 2762.94 4504.62 4625.66 4660.50 4703.82 4711.35 4713.08 4744.97 4748.55 4753.05 4772.42 4777.56 4806.32 4828.23 4835.51 4855.91 4856.58 4861.92 4867.70 4882.53 4899.25 4903.45 4909.51 4924.37 4930.60 5422.65 5530.19 5556.73 0.551323 0.579754 0.580698 0.489516 -1890.610073 -1890.581641 -1890.580697 -1890.671879 3.058259D-04 MUNgauss RevisionA2.0 retrievium 04-Feb-2020 DUDE Cc1ccc(cc1)[C@H]2Nc3ccccc3-c4n2c(nn4)SCC(=O)NCCC5[NH+]=c6ccccc6=[NH+]5 C64568232 RHF 6-31G(d) (6D,10F) C1 497.199780 |X|Y|Z| 70.779741 105.263325 39.853945 66.714329 34 6 7 16 26 7 1 |36.858105| |12.615542|36.858105| |7.541880|13.740067|36.858105| |5.004294|7.883909|13.709404|36.858105| |4.405179|6.767776|7.893430|13.754821|36.858105| |5.007405|7.866191|6.894270|7.974770|13.653477|36.858105| |7.535984|13.634616|7.988803|6.911565|7.902305|13.788933|36.858105| |3.259178|4.393786|5.017198|7.598992|12.520513|7.451022|4.985183|36.858105| |3.046916|3.993701|4.839943|7.475673|8.965269|5.583750|4.201553|17.651599|0.500000| |2.890267|3.714021|4.044388|5.427047|7.575159|5.945014|4.252753|13.171557|0.258622|53.358707| |2.670110|3.321332|3.393332|4.175770|5.689010|5.413980|3.970015|7.666673|0.160490|18.731843|36.858105| |2.462633|2.952994|2.963253|3.460209|4.335907|4.329529|3.459244|5.109806|0.118457|10.701911|13.653266|36.858105| |2.217754|2.580948|2.527972|2.848141|3.473508|3.632282|3.030709|3.916528|0.093219|7.061629|7.941883|13.836346|36.858105| |2.138859|2.477126|2.399301|2.687248|3.304185|3.533920|2.946613|3.725240|0.088251|6.200113|6.805648|7.875237|13.639526|36.858105| |2.267781|2.678566|2.606726|2.978100|3.789466|4.044940|3.237954|4.425621|0.101839|7.038301|7.856437|6.853758|7.985051|13.880045|36.858105| |2.537677|3.112743|3.104709|3.722051|5.047477|5.124432|3.794030|6.525530|0.139226|10.783722|13.644914|7.925519|6.915810|7.931076|13.644543|36.858105| |2.617506|3.254606|3.309849|4.064749|5.585654|5.376297|3.917554|7.624667|0.162503|9.530776|7.889659|5.146563|4.531902|5.076134|7.597066|13.129347|36.858105| |2.899899|3.740999|4.011447|5.327455|7.694114|6.236297|4.367718|12.962914|0.256726|11.118772|6.934109|4.599520|3.824276|3.946330|5.125572|7.848862|14.120127|53.358707| |2.747033|3.442146|3.699145|4.668905|5.850650|4.995293|3.861778|7.437433|0.190900|7.110622|4.663211|3.477114|3.056429|3.225839|4.087422|5.374573|8.821123|19.016561|36.858105| |2.454850|2.967970|3.060726|3.635120|4.450145|4.197915|3.379040|5.308898|0.134159|5.865490|4.236075|3.267043|3.010233|3.327185|4.350658|5.323167|8.870799|12.022945|14.858695|53.358707| |2.394999|2.888627|2.906322|3.426633|4.365671|4.330679|3.403431|5.329191|0.126354|6.489777|5.187871|3.901180|3.680053|4.290118|6.193546|7.612040|14.616985|11.984113|8.874914|19.052908|53.358707| |2.777449|3.418525|3.876869|4.805449|5.101243|4.184134|3.533294|5.644939|0.171067|5.512711|3.470401|2.773505|2.447498|2.509255|2.980902|3.664533|4.901646|9.239661|10.799742|9.621245|6.725887|388.023441| |3.288738|4.013071|4.356286|4.868555|4.956136|4.482660|4.079037|4.573911|0.126977|4.644659|3.044041|2.509060|2.256913|2.326071|2.724990|3.227200|4.100778|7.000926|6.850370|7.530444|5.719543|73.995262|36.858105| |2.982885|3.496926|3.520378|3.777505|4.076997|4.054651|3.745357|3.846610|0.101961|4.147987|2.872214|2.395813|2.218527|2.351214|2.787901|3.185385|4.065650|6.270871|6.130675|8.123621|6.139051|48.476106|12.554837|36.858105| |2.522718|2.865234|2.897114|3.094427|3.299225|3.259696|3.033959|3.244585|0.087684|3.634745|2.552300|2.163782|2.033304|2.172100|2.558757|2.849158|3.581676|5.302255|5.165186|7.460494|5.630001|41.117077|7.949571|15.791258|73.516695| |3.282508|3.856118|3.639933|3.797476|4.275018|4.662326|4.383448|3.856828|0.097397|4.248927|3.034383|2.541916|2.379463|2.550124|3.039123|3.421456|4.269752|6.240158|5.495860|7.571569|6.370105|36.652000|7.844266|14.119137|15.186172|53.358707| |2.830677|3.167492|2.929317|3.002995|3.369046|3.761670|3.621404|3.137765|0.079356|3.661061|2.715230|2.338646|2.257834|2.472853|2.923894|3.120423|3.735123|5.051682|4.254701|6.397127|5.799434|27.425994|5.019676|7.803422|12.337888|17.927288|36.858105| |2.462333|2.779521|2.608685|2.755905|3.188533|3.530922|3.237817|3.139297|0.078485|3.775426|2.901893|2.491947|2.459000|2.790668|3.397525|3.503721|4.234775|5.290862|4.402329|7.355763|7.140998|25.930140|4.161889|5.831773|10.091735|10.432043|12.386531|36.858105| |2.185357|2.476522|2.413351|2.611794|2.987157|3.118874|2.798104|3.095229|0.079457|3.715019|2.818594|2.400653|2.356698|2.671917|3.279094|3.419320|4.301510|5.396986|4.810516|8.915199|7.900396|28.336023|4.201190|5.823041|11.509832|8.333037|7.368712|12.350095|36.858105| |2.007225|2.282490|2.240918|2.463720|2.861078|2.957869|2.595224|3.095737|0.079069|3.857207|3.019109|2.575956|2.577671|3.012490|3.789781|3.806419|4.742724|5.499295|4.663499|9.160132|9.450664|25.780947|3.500107|4.318743|8.124525|6.102723|4.961709|7.631259|13.096316|53.358707| |2.093880|2.420342|2.385062|2.671116|3.187655|3.285270|2.794275|3.557326|0.089048|4.474562|3.581687|2.983020|2.981172|3.557232|4.717580|4.763021|6.192966|6.606145|5.410495|11.301592|14.231147|27.421612|3.575508|4.214896|7.503463|6.023103|4.599731|6.673612|8.864170|24.918322|0.500000| |1.775154|1.983197|1.954256|2.125632|2.410977|2.471354|2.214014|2.601403|0.067788|3.308477|2.581565|2.265684|2.295290|2.664098|3.217632|3.150630|3.712142|4.421282|3.673045|6.628715|6.743973|21.699311|2.934767|3.524545|6.854386|4.854023|3.986479|5.553172|8.359002|20.414257|0.254314|36.858105| |1.598250|1.774554|1.757517|1.913240|2.156622|2.192415|1.967561|2.357798|0.061937|3.088135|2.436303|2.184189|2.249430|2.624910|3.095772|2.941553|3.310044|3.910436|3.126667|5.376782|5.714854|18.692553|2.465795|2.823472|5.383880|3.866870|3.083406|3.993846|5.149593|10.459851|0.182900|13.231332|36.858105| |1.456948|1.596931|1.583035|1.704819|1.887790|1.914305|1.747293|2.037308|0.054171|2.671632|2.081980|1.896430|1.951365|2.233441|2.552145|2.438791|2.694802|3.285726|2.624869|4.327055|4.445492|16.394132|2.191297|2.492798|4.820876|3.380773|2.709296|3.351712|4.168287|7.226728|0.127029|8.091205|14.250990|36.858105| |1.434989|1.558530|1.541745|1.642524|1.795672|1.824706|1.690119|1.903338|0.050902|2.460734|1.889254|1.721175|1.753645|1.975427|2.239178|2.177857|2.423828|3.035944|2.463426|3.993937|3.947317|15.915865|2.184476|2.525848|5.011869|3.397920|2.774021|3.347977|4.171322|6.455493|0.109239|6.859372|7.684136|12.864014|36.858105| |1.541431|1.673716|1.649948|1.749806|1.909438|1.949220|1.814705|1.998916|0.053361|2.539770|1.933261|1.744037|1.759865|1.973176|2.256965|2.229837|2.528271|3.207183|2.656093|4.334132|4.157493|17.357025|2.444848|2.919735|5.961748|3.914746|3.281324|3.974082|5.148007|7.269893|0.116454|7.493733|6.438073|7.646976|14.193131|36.858105| |1.734041|1.908689|1.875943|2.005803|2.223853|2.283087|2.097878|2.334413|0.061597|2.926121|2.234574|1.979614|1.987110|2.250306|2.642707|2.634302|3.076966|3.854410|3.258522|5.569948|5.284926|20.595962|2.914600|3.613964|7.429810|4.895179|4.191835|5.512593|8.323636|11.638921|0.162827|12.750773|7.474730|6.837080|8.116893|13.326812|36.858105| |1.923756|2.124666|2.077001|2.209497|2.449017|2.533378|2.340286|2.521306|0.066226|3.086114|2.328720|2.038872|2.020229|2.267255|2.681631|2.736443|3.268857|4.187742|3.635976|6.207242|5.613265|23.273910|3.458496|4.594092|9.843112|6.250539|5.648282|7.517087|13.036557|11.614424|0.164377|8.554099|5.325262|4.723661|5.301522|7.674664|14.881706|53.358707| |1.917622|2.092786|2.043720|2.145247|2.335541|2.413812|2.272883|2.361965|0.062591|2.874250|2.142202|1.888312|1.860961|2.058836|2.396102|2.464045|2.908927|3.830888|3.323335|5.397508|4.802143|22.360897|3.454622|4.658057|10.454735|6.215780|5.702822|6.504623|8.803260|8.100427|0.127592|5.937333|4.226103|3.963387|4.629497|6.711848|9.368057|25.777176|0.500000| |17.572284|8.833077|5.681043|4.208291|3.940731|4.670985|6.991336|3.005202|0.077313|3.643194|2.535217|2.341448|2.149635|2.108262|2.243536|2.469834|2.558352|3.778894|2.670172|3.317662|3.244555|18.992650|3.241668|3.060630|4.609219|4.723629|3.057215|2.608689|2.265836|2.800895|0.059126|1.819803|1.628570|1.487036|1.472533|1.590517|1.791518|2.723340|0.055691|0.500000| |17.548791|8.880221|6.166518|4.414424|3.972997|4.500592|6.394103|3.032174|0.078721|3.799328|2.605896|2.465797|2.227169|2.118321|2.203149|2.437745|2.450168|3.634786|2.487532|3.053260|3.029656|17.595645|2.817279|2.586119|3.962631|3.854009|2.505323|2.236717|1.996814|2.536101|0.054187|1.659984|1.510636|1.380361|1.353775|1.443101|1.612669|2.407859|0.048770|0.302382|0.500000| |17.593822|8.838415|7.144041|4.709227|3.939891|4.175793|5.597224|3.011111|0.080515|3.609954|2.420462|2.231377|2.011212|1.941806|2.059971|2.303829|2.403868|3.661155|2.601098|3.153747|3.027384|19.389847|3.247822|2.889986|4.390345|4.190852|2.647978|2.291393|2.069125|2.576960|0.054470|1.687667|1.522369|1.396780|1.383232|1.487402|1.662397|2.509196|0.051426|0.301449|0.302214|0.500000| |6.979771|8.922074|17.718586|8.936071|5.638412|4.963291|5.660641|4.106976|0.115482|4.669986|2.905842|2.595247|2.242062|2.125897|2.283370|2.668637|2.834192|4.602447|3.209211|3.671910|3.458323|24.928695|3.916223|3.164161|4.745500|4.337122|2.616913|2.328261|2.182453|2.758398|0.059301|1.792171|1.622215|1.475409|1.445044|1.544325|1.736806|2.605629|0.052744|0.144550|0.163280|0.216057|0.500000| |4.091418|5.634180|8.938824|17.700036|8.911195|5.651973|4.970789|7.070220|0.231701|7.043515|3.869388|3.238204|2.664360|2.503006|2.757301|3.427278|3.764555|6.783860|4.502666|4.728803|4.379056|35.323716|4.629732|3.510703|5.256718|4.597968|2.711551|2.519060|2.455801|3.180991|0.070134|2.040497|1.852990|1.660124|1.599323|1.695946|1.928383|2.866809|0.056895|0.097230|0.102903|0.112251|0.217156|0.500000| |4.096910|5.625868|4.962893|5.651109|8.855828|17.708281|8.973211|6.853659|0.139242|8.267352|6.311564|4.933476|4.240129|4.264346|5.050830|6.432340|6.402002|8.890339|5.040846|6.118114|6.802265|27.735725|4.056885|3.914408|5.715362|6.313841|3.929561|3.885544|3.365713|4.449204|0.103170|2.691583|2.386397|2.056002|1.937461|2.060694|2.435909|3.654396|0.069930|0.111011|0.105621|0.096345|0.107696|0.123874|0.500000| |7.001502|8.896827|5.666576|4.970866|5.634736|8.955556|17.699668|4.068900|0.096405|4.982061|3.609248|3.255757|2.962745|2.925392|3.169357|3.547799|3.576182|5.128808|3.394270|4.226145|4.345050|21.830228|3.560453|3.458289|5.084771|5.697574|3.662287|3.280219|2.751368|3.471698|0.075652|2.188021|1.946110|1.733638|1.681026|1.805866|2.081862|3.157792|0.062689|0.207157|0.174411|0.141798|0.124238|0.107807|0.217701|0.500000| |2.928627|3.729759|4.140781|5.481000|6.870525|5.400720|4.111921|9.276306|0.222189|26.006755|9.414625|7.440767|4.850247|4.043621|4.285893|5.817912|5.132143|8.014638|4.235716|4.833014|5.197054|25.359465|3.085909|2.731286|4.280580|3.797222|2.421473|2.457504|2.404072|3.363046|0.077961|2.156814|2.029046|1.780757|1.651758|1.701513|1.935493|2.772631|0.053228|0.074037|0.080010|0.074934|0.099031|0.148774|0.145586|0.098098|0.500000| |2.459117|2.924010|2.976606|3.450148|4.132818|4.014662|3.319338|4.713138|0.114200|9.739820|8.886516|17.723780|8.936365|5.617066|4.942567|5.635513|4.180515|5.445892|3.112154|3.910468|4.472559|18.449709|2.356507|2.215662|3.562710|3.168154|2.131428|2.227614|2.149891|3.092918|0.071714|2.022905|1.954322|1.720800|1.576124|1.597906|1.795625|2.520843|0.048112|0.064061|0.069385|0.062215|0.073296|0.090997|0.120141|0.086106|0.222721|0.500000| |2.070261|2.359049|2.304507|2.544465|2.999066|3.134078|2.716255|3.283666|0.080468|5.715536|5.656535|8.994426|17.729368|8.896279|5.673183|4.975136|3.609505|4.303698|2.611648|3.502948|4.155868|15.361354|2.013136|1.979064|3.248362|2.878812|2.024440|2.184702|2.092821|3.092690|0.071577|2.058541|2.036660|1.793353|1.619563|1.618317|1.804026|2.485373|0.047050|0.055761|0.058449|0.052363|0.057549|0.066622|0.098696|0.074590|0.114525|0.216819|0.500000| |1.960687|2.223819|2.139187|2.349840|2.812729|3.025701|2.612332|3.090418|0.075016|4.933997|4.919473|5.624847|8.868084|17.749184|8.939110|5.636175|4.110994|4.475479|2.805530|4.006751|5.049549|15.914357|2.102912|2.153319|3.581824|3.182226|2.317775|2.634992|2.519859|3.891881|0.091933|2.587203|2.597658|2.230579|1.963828|1.942782|2.189929|2.966625|0.055013|0.054150|0.054139|0.049653|0.053243|0.061095|0.099461|0.073264|0.091747|0.123885|0.214427|0.500000| |2.146737|2.499691|2.417880|2.720998|3.388457|3.643810|2.999538|3.861030|0.091131|5.711373|5.617202|4.942872|5.657251|8.950144|17.726982|8.909970|6.964871|6.374484|4.015702|6.208256|9.197863|20.822532|2.709913|2.863594|4.750338|4.276337|3.122244|3.806560|3.702719|6.123158|0.160306|3.786633|3.655997|2.929428|2.522842|2.530820|3.002328|4.088369|0.073188|0.059753|0.057513|0.054461|0.059290|0.070227|0.124559|0.082692|0.098392|0.107362|0.124344|0.214711|0.500000| |4.029514|5.183421|5.692633|6.239425|6.124699|5.532161|5.149060|5.033390|0.136203|4.992757|3.223174|2.657021|2.360648|2.399274|2.783848|3.330591|4.107177|7.121174|6.164681|6.624640|5.425800|55.887092|17.645048|8.768771|10.365853|10.206837|4.784376|3.913459|3.723057|4.329921|0.091812|2.672892|2.279208|2.026723|2.006664|2.222080|2.623851|4.176375|0.084763|0.108739|0.093044|0.109616|0.136272|0.154354|0.130499|0.119388|0.093209|0.069793|0.058486|0.059884|0.075585|0.500000| |3.079176|3.597782|3.964359|4.253074|4.074406|3.686432|3.497560|3.791013|0.108925|4.010859|2.631468|2.222124|2.011737|2.059350|2.366228|2.745147|3.361678|5.556075|5.163119|5.975972|4.698401|57.867182|17.607550|8.984878|12.836383|8.095189|4.265418|3.543589|3.635185|4.160115|0.085117|2.651467|2.259941|2.047545|2.068424|2.315916|2.694830|4.308579|0.090033|0.084144|0.073514|0.087111|0.104151|0.117029|0.092742|0.086140|0.075738|0.058728|0.050463|0.052244|0.065453|0.300917|0.500000| |3.911358|4.777683|4.337246|4.449109|5.105180|5.919599|5.669391|4.281897|0.105356|4.644099|3.289663|2.742967|2.534978|2.680302|3.173719|3.635311|4.435996|6.629806|5.416891|6.967023|6.186311|35.430500|7.469475|9.360341|10.875709|26.024244|9.015731|6.191976|4.897933|5.336144|0.111734|3.158159|2.596060|2.272217|2.253856|2.540193|3.103476|5.145339|0.103265|0.115407|0.091803|0.099322|0.101919|0.105306|0.158488|0.147990|0.084985|0.069942|0.062404|0.067585|0.089035|0.237013|0.155433|0.500000| |3.017264|3.299697|2.940898|2.930728|3.272943|3.807406|3.830159|2.962279|0.074303|3.521574|2.637789|2.312298|2.248894|2.452842|2.845664|2.988944|3.426547|4.593933|3.666487|5.333766|5.097430|23.677907|4.270260|5.815624|9.059087|12.587332|17.618664|8.948580|5.465147|5.631406|0.109549|3.437948|2.764343|2.456965|2.503918|2.900804|3.563032|6.125348|0.126473|0.093098|0.074219|0.077231|0.072824|0.072496|0.111044|0.112348|0.065444|0.058769|0.056399|0.064283|0.083728|0.119911|0.103020|0.230716|0.500000| |2.589403|2.824744|2.654637|2.694789|2.927576|3.169272|3.105632|2.753983|0.071376|3.238847|2.378948|2.076405|2.008917|2.183121|2.537201|2.687876|3.175650|4.352849|3.714391|5.544598|4.922936|25.452366|4.678991|7.294441|13.435580|12.526730|17.618158|8.722413|6.708219|6.102428|0.111388|3.818455|2.966501|2.680095|2.834343|3.441673|4.302387|8.175879|0.187506|0.077607|0.063839|0.068670|0.067358|0.068896|0.090046|0.086816|0.060200|0.053123|0.050561|0.057360|0.075120|0.119795|0.117216|0.183629|0.304011|0.500000| |2.601809|3.001559|2.793054|2.994339|3.600124|4.106323|3.630621|3.566530|0.086456|4.320947|3.408735|2.880664|2.850695|3.297601|4.155701|4.277370|5.202921|6.151377|4.864432|8.168278|8.790368|26.595054|4.114557|5.336607|8.621622|9.728821|8.897875|17.602673|8.979251|10.147035|0.211222|5.190524|3.923441|3.208897|3.074464|3.480730|4.654120|7.692637|0.135069|0.076049|0.066026|0.066199|0.068076|0.074983|0.131886|0.102455|0.076892|0.070244|0.069201|0.085294|0.131075|0.111140|0.095080|0.179493|0.213551|0.173347|0.500000| |2.265040|2.495011|2.322670|2.416547|2.753454|3.064640|2.880512|2.705773|0.068162|3.347235|2.605035|2.297915|2.312182|2.639984|3.131981|3.108382|3.567961|4.410022|3.544173|5.759214|5.829421|21.488676|3.394288|4.484847|8.016647|7.603396|8.768290|17.554635|8.822159|8.993327|0.156311|5.411022|3.995773|3.437195|3.492126|4.167181|5.610255|9.822977|0.177271|0.067193|0.057818|0.058614|0.058213|0.061676|0.093780|0.082834|0.061325|0.057315|0.057787|0.070796|0.098613|0.090037|0.083115|0.133857|0.219490|0.205666|0.302501|0.500000| |2.279207|2.618461|2.605392|2.863342|3.255192|3.290519|2.917296|3.407397|0.088792|3.955720|2.913001|2.438054|2.341100|2.602277|3.195622|3.478013|4.569729|6.076732|5.926277|11.272396|8.365877|35.685023|5.222319|7.598542|15.978584|9.437889|7.010448|8.682224|17.657675|12.611893|0.213658|6.531309|4.473497|3.707432|3.706945|4.463533|6.500882|12.528975|0.209228|0.064951|0.057358|0.060428|0.065457|0.075460|0.096230|0.077787|0.070784|0.061030|0.057577|0.067162|0.097166|0.121455|0.122902|0.148433|0.141195|0.181008|0.200861|0.173304|0.500000| |1.596396|1.782189|1.769269|1.941299|2.208029|2.237741|1.986091|2.454682|0.064174|3.280105|2.632963|2.369354|2.469250|2.930114|3.474874|3.222433|3.549682|4.077479|3.168141|5.411476|6.075856|18.490453|2.390269|2.672183|4.969103|3.681403|2.869815|3.668741|4.494118|9.134078|0.184670|8.701525|17.757453|8.958045|5.485849|4.725035|5.405331|5.871814|0.098166|0.044942|0.042138|0.042090|0.045227|0.052284|0.068263|0.054447|0.059587|0.058375|0.061827|0.080945|0.116152|0.062044|0.060511|0.069954|0.072445|0.075323|0.104677|0.100532|0.111882|0.500000| |1.360451|1.485418|1.475795|1.587765|1.750094|1.768552|1.618295|1.894163|0.050583|2.516609|1.965874|1.813966|1.878943|2.142079|2.403375|2.276227|2.462107|3.009022|2.363916|3.807709|3.954523|14.874443|1.973971|2.201431|4.206839|2.984890|2.360386|2.847173|3.399358|5.724488|0.106293|5.688395|9.108607|17.738010|8.709578|5.579133|4.939923|5.077477|0.090163|0.038453|0.036002|0.036277|0.038352|0.043125|0.052654|0.044616|0.046896|0.045920|0.048360|0.059991|0.075958|0.051119|0.051533|0.056463|0.060325|0.064734|0.077015|0.081054|0.086072|0.214585|0.500000| 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