Version2.1 2020-12-27T00:47:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 30-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(cc2c1nc(s2)N(CCC[NH+]3CCOCC3)C(=O)c4cccc(c4)S(=O)(=O)C)Cl C10786090 RHF 6-31G(d) (6D,7F) Cc1cc(cc2c1nc(s2)N(CCC[NH+]3CCOCC3)C(=O)c4cccc(c4)S(=O)(=O)C)Cl C01[X(C23H27Cl1N3O4S2)] 174 C1 561 Clc1cc(C)c2c(c1)sc(n2)N(C(=O)c1cccc(c1)S(=O)(=O)C)CCC[NH+]1CCOCC1 Clc1cc(C)c2c(c1)sc(n2)N(C(=O)c1cccc(c1)S(=O)(=O)C)CCC[NH+]1CCOCC1 Cc1cc(Cl)cc2sc(nc12)N(CCC[NH+]3CCOCC3)C(=O)c4cccc(c4)[S](C)(=O)=O InChIKey=KKJIAAITIBOZFD-UHFFFAOYSA-O InChI=1S/C23H26ClN3O4S2/c1-16-13-18(24)15-20-21(16)25-23(32-20)27(8-4-7-26-9-11-31-12-10-26)22(28)17-5-3-6-19(14-17)33(2,29)30/h3,5-6,13-15H,4,7-12H2,1-2H3/p+1 InChI=1/C23H26ClN3O4S2/c1-16-13-18(24)15-20-21(16)25-23(32-20)27(8-4-7-26-9-11-31-12-10-26)22(28)17-5-3-6-19(14-17)33(2,29)30/h3,5-6,13-15H,4,7-12H2,1-2H3/p+1/fC23H27ClN3O4S2/h26H/q+1 Cc1cc(cc2c1nc(s2)N(CCC[NH+]3CCOCC3)C(=O)c4cccc(c4)S(=O)(=O)C)Cl C01[X(C23H27Cl1N3O4S2)] 174 C01 561 Clc1cc(C)c2c(c1)sc(n2)N(C(=O)c1cccc(c1)S(=O)(=O)C)CCC[NH+]1CCOCC1 Cl[C]1[CH][C]2[C]([C]([CH]1)C)N=C(S2)N(C(=O)[C]1[CH][CH][CH][C]([CH]1)S(=O)(=O)C)CCC[NH]1CCOCC1 C[C]1[CH][C](Cl)[CH][C]2SC(=N[C]12)N(CCC[NH]3CCOCC3)C(=O)[C]4[CH][CH][CH][C]([CH]4)[S](C)(=O)=O InChIKey=UYILMLUSQHYYIQ-UHFFFAOYSA-N InChI=1S/C23H27ClN3O4S2/c1-16-13-18(24)15-20-21(16)25-23(32-20)27(8-4-7-26-9-11-31-12-10-26)22(28)17-5-3-6-19(14-17)33(2,29)30/h3,5-6,13-15,26H,4,7-12H2,1-2H3 InChI=1/C23H27ClN3O4S2/c1-16-13-18(24)15-20-21(16)25-23(32-20)27(8-4-7-26-9-11-31-12-10-26)22(28)17-5-3-6-19(14-17)33(2,29)30/h3,5-6,13-15,26H,4,7-12H2,1-2H3 3865.8009506850 -2603.7263071 1-A 25420.7701 133 428 561 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.89649 -92.24898 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0.6410 0.1249 0.1300 0.5945 0.7110 0.0484 0.6232 0.2730 0.1436 0.3635 0.7117 0.6583 0.3675 0.0638 0.1810 0.4181 0.3301 0.5523 0.7169 0.0951 0.7439 0.3796 0.4825 0.7492 0.0637 0.7303 0.4672 0.1470 0.4634 0.5702 0.2773 0.5063 0.0688 0.2690 0.4321 0.4922 0.7234 0.3289 0.7477 0.7424 0.5897 0.3546 0.7415 0.1430 0.4110 0.2925 0.5034 0.5302 0.3387 0.1506 0.7028 0.6856 0.2795 0.3429 0.7476 0.1599 0.2484 0.6825 0.4611 0.3511 0.6086 0.7499 0.7500 0.5555 0.7492 0.6915 0.4481 0.3076 0.4259 0.7435 0.6167 0.1968 0.6959 0.7337 0.5625 0.7454 0.6900 0.5605 0.6883 0.7239 0.4767 0.3311 0.7371 0.7445 0.3609 0.6610 0.5854 0.5977 0.7497 0.2389 0.6110 0.6606 0.3874 0.2065 0.6567 0.5703 0.6514 0.1339 0.7214 0.1394 0.0141 0.0389 0.0487 0.1158 0.7484 0.1305 0.1108 0.1455 0.3812 0.6929 0.6440 0.7322 0.1895 0.7449 0.6374 0.7321 0.7500 0.6152 0.7418 0.2972 0.3411 0.2775 0.1407 0.2343 0.2224 0.8513 0.8342 0.8569 0.8568 0.8301 0.8563 0.8517 0.5276 0.7909 0.8431 0.8493 0.8570 0.6123 0.8523 0.1785 0.6977 0.6425 0.5894 0.4160 0.7186 0.8571 0.7762 0.8346 0.7042 0.7427 0.6231 0.8094 0.6847 0.8526 0.6338 0.6320 0.7141 0.7315 0.3195 0.6757 0.1240 0.5321 0.4140 0.1466 0.8209 0.5331 0.2448 0.3571 0.8540 0.8240 0.1028 0.8018 0.8347 0.8514 0.7812 0.2220 0.2300 0.7457 0.8311 0.0923 0.7679 0.4290 0.2512 0.5332 0.8315 0.7939 0.5375 0.1200 0.3065 0.5897 0.4963 0.7116 0.8351 0.1737 0.8531 0.5503 0.6510 0.8566 0.1198 0.8441 0.6369 0.2563 0.6333 0.7263 0.4342 0.6723 0.1288 0.4240 0.6034 0.6597 0.8395 0.4950 0.8556 0.8521 0.7419 0.5235 0.8516 0.2501 0.5825 0.4527 0.6697 0.6930 0.5060 0.2618 0.8255 0.8134 0.4369 0.5107 0.8556 0.2758 0.3979 0.8113 0.6312 0.5197 0.7567 0.8571 0.8571 0.7143 0.8567 0.8176 0.6189 0.4704 0.5974 0.8529 0.7629 0.3289 0.8207 0.8464 0.7200 0.8541 0.8166 0.7184 0.8154 0.8398 0.6456 0.4975 0.8487 0.8535 0.5304 0.7959 0.7385 0.7482 0.8570 0.3857 0.7585 0.7956 0.5585 0.3424 0.7928 0.7263 0.7889 0.2361 0.8381 0.2447 0.0278 0.0748 0.0929 0.2076 0.8561 0.2308 0.1995 0.2540 0.5519 0.8186 0.7835 0.8454 0.3186 0.8538 0.7786 0.8454 0.8571 0.7618 0.8518 0.4582 0.5087 0.4344 0.2466 0.3796 0.3639 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 60 6 6 6 6 6 6 6 7 6 16 7 6 6 6 7 1 6 6 8 6 6 6 8 6 6 6 6 6 6 16 8 8 6 17 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 14.00307 12.00000 31.97207 14.00307 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 15.99491 15.99491 12.00000 34.96885 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 21533.9179 27421.0181 45312.2806 0.99961 0.02808 -0.00021 -0.02808 0.99958 0.00759 0.00042 -0.00758 0.99997 1 0.00402 0.00316 0.00191 0.08381 0.06582 0.03983 14.06 21.87 26.22 29.64 34.71 40.55 64.66 72.05 104.46 130.21 144.91 156.22 172.13 184.15 200.63 232.33 245.55 248.83 285.29 310.35 320.07 334.90 343.78 363.00 366.74 373.05 406.59 429.58 435.59 482.91 490.72 532.09 542.25 568.26 592.35 631.62 657.66 677.76 683.92 698.03 704.62 719.09 743.94 757.35 800.19 820.57 824.26 841.31 860.62 886.12 919.73 940.60 959.71 1029.43 1051.99 1088.67 1111.23 1155.74 1171.77 1198.38 1204.60 1217.51 1228.87 1252.05 1308.04 1316.26 1337.12 1361.94 1406.43 1422.98 1423.54 1442.44 1448.02 1484.18 1510.89 1546.91 1563.95 1567.54 1573.02 1579.07 1583.06 1592.87 1602.25 1624.95 1626.64 1641.06 1656.07 1673.49 1690.03 1713.60 1722.28 1742.45 1746.15 1763.44 1779.28 1809.94 1820.92 1838.47 1880.76 1893.48 1904.05 1915.78 1924.04 1938.15 1974.47 2010.65 2028.27 2033.93 2066.94 2079.87 2094.59 2098.16 2100.29 2117.52 2129.62 2160.02 2190.59 2191.05 2193.70 2218.70 2232.24 2251.84 2259.76 2273.18 2277.19 2284.31 2289.82 2293.59 2294.95 2299.38 2311.82 2337.40 2340.26 2353.93 2359.00 2360.01 2367.55 2370.26 2371.22 2386.50 2393.69 2532.72 2544.12 2558.56 2583.41 2593.69 2775.66 4595.71 4608.42 4627.15 4660.85 4665.15 4696.88 4707.74 4713.73 4717.29 4725.21 4733.69 4749.73 4782.47 4787.06 4790.01 4797.64 4806.52 4810.26 4821.93 4828.99 4872.80 4891.90 4895.81 4908.11 4911.43 4926.33 5287.74 0.520653 0.550384 0.551328 0.453650 -2603.205654 -2603.175923 -2603.174979 -2603.272657 3.276136D-04 MUNgauss RevisionA2.0 retrievium 27-Dec-2020 DUDE Cc1cc(cc2c1nc(s2)N(CCC[NH+]3CCOCC3)C(=O)c4cccc(c4)S(=O)(=O)C)Cl C10786090 RHF 6-31G(d) (6D,10F) C1 508.113153 |X|Y|Z| 101.704581 117.850752 34.465612 74.476562 26 6 7 8 16 21 3 1 1 |36.858105| |12.636295|36.858105| |7.551168|13.822647|36.858105| |4.996526|7.872172|13.625690|36.858105| |4.378192|6.699326|7.855296|13.868749|36.858105| |5.000852|7.858586|6.955605|8.103782|13.711532|36.858105| |7.526391|13.599781|8.030610|6.938464|7.829440|13.706232|36.858105| |6.423889|7.717285|5.173945|4.613461|5.222412|8.130744|13.713593|53.358707| |4.517654|5.405751|4.184846|4.087269|4.988002|7.826819|8.691876|20.480996|36.858105| |3.757909|4.869394|4.266888|4.720771|6.735109|10.918364|7.432348|10.056358|10.872546|388.023441| |3.649761|3.982739|3.226976|3.142825|3.673441|4.997100|5.394610|11.104243|13.577631|49.177998|53.358707| |3.458302|3.588574|2.931543|2.803778|3.158959|4.071071|4.516396|8.698473|7.802938|35.730926|17.744002|36.858105| |3.383725|3.273087|2.669061|2.482420|2.687859|3.330280|3.840227|7.184810|5.520343|26.784824|10.488990|12.430796|36.858105| |2.896766|2.764458|2.326414|2.172239|2.314555|2.758415|3.103956|5.323947|3.998413|21.628369|6.808663|7.575336|12.486519|36.858105| |2.578030|2.406664|2.057086|1.913352|2.007202|2.336651|2.618893|4.342477|3.195797|17.928603|5.229339|4.947730|7.558146|12.650450|53.358707| |2.443772|2.308624|1.982820|1.859349|1.963832|2.287046|2.534541|4.211543|3.166691|17.837981|5.312054|4.811446|7.258746|9.351574|25.670379|0.500000| |2.786591|2.499858|2.121501|1.933610|1.989397|2.299353|2.639827|4.331637|3.040337|16.996445|4.722411|4.179429|6.167363|7.563610|17.236659|0.258618|36.858105| |2.352241|2.120752|1.841915|1.691322|1.729086|1.958797|2.206535|3.503233|2.481684|14.420226|3.789219|3.189488|4.261372|4.953084|10.466106|0.197548|12.512163|36.858105| |2.092786|1.912866|1.685490|1.561866|1.597606|1.791558|1.987426|3.101951|2.222535|13.231613|3.377259|2.874579|3.648692|4.503336|9.164899|0.167147|7.951005|13.688701|73.516695| |1.989902|1.858170|1.642854|1.541079|1.594767|1.793909|1.962716|3.077821|2.257256|13.522360|3.504705|3.038707|3.815126|4.973668|10.455924|0.197500|6.710014|8.211867|24.326117|36.858105| |2.207620|2.077884|1.817277|1.706124|1.781270|2.030773|2.229518|3.559586|2.632896|15.496691|4.175182|3.838280|4.951540|7.648850|17.232515|0.258760|7.714405|6.722122|14.155537|12.517444|36.858105| |2.999949|3.232469|2.736978|2.716982|3.158261|4.035982|4.124266|7.413278|7.661818|39.803028|18.758447|7.884014|6.147669|4.330297|4.868228|0.106139|3.185662|2.660035|4.225762|2.498856|2.903975|36.858105| |2.604220|2.737767|2.361861|2.341217|2.667854|3.270334|3.341206|5.750294|5.386278|30.553237|11.646582|7.250916|6.180870|4.648517|5.296840|0.119604|3.296683|2.783454|4.474552|2.718691|3.183873|15.876188|73.516695| |2.877001|3.153950|2.734700|2.761351|3.230567|4.027678|3.966176|6.592088|6.365992|38.874593|10.381002|5.004085|4.335636|3.290827|3.930649|0.085683|2.688285|2.328383|3.698772|2.151955|2.411847|12.732969|14.429808|36.858105| |3.223249|3.539724|3.041789|3.027171|3.484255|4.336194|4.401242|7.131820|6.217921|37.474499|8.479926|4.291228|3.931704|3.001173|3.664810|0.078858|2.615390|2.279615|3.577141|2.034827|2.244716|7.497645|9.589558|13.697764|36.858105| |2.826744|3.093490|2.779311|2.810827|3.177509|3.695095|3.637311|5.412943|4.426672|29.984838|5.862007|3.273624|3.075301|2.475951|3.108525|0.066868|2.244444|2.012453|3.186632|1.804682|1.951632|5.012063|7.239407|7.909163|13.756756|36.858105| |2.366138|2.583545|2.381716|2.456111|2.785213|3.137150|2.995699|4.386633|3.650598|26.170609|5.016841|2.908880|2.715503|2.253142|2.850383|0.061713|2.026331|1.844074|2.961929|1.695773|1.823512|4.458116|6.855858|6.849106|7.943956|13.767118|36.858105| |2.220794|2.424447|2.227833|2.310287|2.654109|3.019162|2.851243|4.258631|3.687414|26.692189|5.348078|3.107808|2.841462|2.370052|2.971960|0.064862|2.060858|1.870414|3.030968|1.762403|1.910619|5.097918|8.125973|7.958623|6.907888|7.961279|13.723566|36.858105| |2.392105|2.613126|2.348343|2.416552|2.811634|3.321663|3.163431|4.937295|4.519341|31.327306|7.077243|3.926649|3.472055|2.817093|3.448130|0.075699|2.337551|2.080624|3.363496|1.976541|2.184126|7.750085|11.997147|13.704703|7.922827|6.851973|7.897697|13.780238|36.858105| |1.844364|1.995552|1.874168|1.957445|2.216551|2.432038|2.283647|3.330484|2.808292|20.848910|4.062792|2.519543|2.331420|2.028111|2.583125|0.056331|1.783120|1.650064|2.718214|1.591054|1.704701|3.675848|6.340144|4.727432|4.200450|4.727120|6.945379|10.715891|6.966450|388.023441| |1.751768|1.877029|1.752214|1.817617|2.050875|2.265182|2.147872|3.179315|2.696710|19.619698|4.044597|2.578899|2.392041|2.111551|2.696616|0.059318|1.828093|1.697304|2.818276|1.671922|1.794330|3.725340|6.839531|4.432161|3.704055|3.841142|4.961695|7.337679|6.520829|94.394337|73.516695| |1.737375|1.858703|1.758273|1.823760|2.025692|2.188179|2.082362|3.003317|2.457131|17.969030|3.496216|2.204599|2.091814|1.835782|2.378475|0.051830|1.667560|1.563444|2.570993|1.491721|1.576084|3.059451|5.268264|3.850079|3.705453|4.419154|6.455058|7.339316|4.996529|94.428291|13.560072|73.516695| |1.787592|1.971782|1.890890|2.024018|2.322304|2.483502|2.254631|3.188260|2.688649|21.316304|3.744888|2.339339|2.113280|1.860672|2.340950|0.050228|1.618859|1.492168|2.480818|1.449998|1.562009|3.218513|5.443959|3.957973|3.600873|3.985948|5.330547|6.774184|5.256125|76.345957|13.029283|13.032190|36.858105| |3.650841|4.764314|7.048728|10.968395|7.083876|4.808998|4.250338|4.420275|2.999621|24.551601|3.346419|2.244897|2.026376|1.820444|2.222818|0.044190|1.651218|1.471998|2.442412|1.355509|1.482796|2.202829|3.463930|2.258141|2.443464|2.351058|2.119688|1.997173|2.045948|12.419352|2.883046|2.930529|1.833764|448.794386| |17.565502|8.867431|5.888309|4.292484|3.934815|4.585877|6.705200|8.799155|4.568779|25.967105|5.150639|3.506464|3.552998|2.967227|3.659796|0.071623|2.955807|2.500452|3.879295|2.059985|2.264434|3.166095|4.856060|3.082034|3.560257|3.111529|2.547495|2.356476|2.528450|13.744341|3.248458|3.257275|1.843997|26.001066|0.500000| |17.561070|8.868547|5.888160|4.290263|3.931526|4.584110|6.702230|8.759180|4.548235|25.965872|5.163992|3.793087|3.760662|3.270847|3.899559|0.073919|3.118663|2.570614|4.071769|2.170619|2.442553|3.046489|4.768749|2.816094|3.052743|2.635439|2.238678|2.142222|2.343485|12.736840|3.065283|2.980870|1.729990|25.993238|0.302488|0.500000| |17.601681|8.877260|7.258357|4.738335|3.931298|4.168757|5.563675|6.437999|3.618050|22.626661|4.116084|2.901926|2.867412|2.535240|3.137208|0.060729|2.506408|2.166664|3.461434|1.840559|2.013698|2.566453|4.034240|2.493525|2.779462|2.513228|2.138986|2.001980|2.124089|12.028249|2.853937|2.859449|1.649468|29.739658|0.301217|0.301283|0.500000| |6.970937|8.950219|17.749257|8.932664|5.637676|4.997991|5.676741|5.658908|3.434162|24.464169|3.776567|2.578291|2.407804|2.140226|2.618878|0.051397|2.007178|1.763520|2.878540|1.566670|1.715996|2.399359|3.748009|2.398955|2.659617|2.475766|2.146134|2.003886|2.091581|12.169059|2.851890|2.884428|1.723036|54.444858|0.151812|0.151842|0.221884|0.500000| |3.512432|4.864603|5.603837|8.917787|17.761950|8.816531|5.583695|5.757517|4.294272|43.930722|4.533354|2.879372|2.444574|2.133550|2.533134|0.050853|1.827055|1.603807|2.654462|1.500135|1.669575|2.963070|4.513067|3.072317|3.241480|3.031614|2.743152|2.641920|2.763653|15.997313|3.687307|3.640716|2.423176|53.838044|0.089767|0.089695|0.089731|0.124149|0.500000| |2.912605|3.049215|2.585740|2.529281|2.864802|3.566239|3.745091|6.590833|5.987263|32.253395|12.513646|17.633497|8.820038|7.081865|6.447066|0.130740|3.792622|2.998996|4.948668|3.038692|3.879569|7.387640|14.193626|4.700201|3.843173|3.026052|2.789363|3.073922|3.934309|18.199288|4.779409|3.929190|2.384298|16.663864|0.081401|0.087653|0.069707|0.063816|0.074456|0.500000| |3.823047|4.003565|3.230912|3.061937|3.431549|4.455953|5.054316|9.530651|7.793376|36.969629|12.559643|17.645369|8.815321|6.732371|6.070560|0.114983|3.934835|3.007214|4.889032|2.862831|3.609885|5.793960|9.284810|4.180388|3.780865|2.974722|2.639420|2.768198|3.372081|16.231678|4.106815|3.586656|2.171640|19.411752|0.103621|0.120400|0.088276|0.078372|0.085614|0.301567|0.500000| |4.021057|3.719815|2.939328|2.655621|2.820344|3.512364|4.276743|8.260468|5.677280|26.673282|9.428469|8.893698|17.593365|8.771416|8.934733|0.168991|6.529081|4.387806|6.432121|3.579507|4.418381|5.353934|8.859554|4.110661|3.991682|3.131619|2.692984|2.731571|3.244011|15.824393|3.977541|3.603133|2.026484|17.186186|0.120151|0.126530|0.092544|0.073770|0.069940|0.174152|0.216827|0.500000| |3.035979|2.958948|2.456540|2.310810|2.510631|3.072544|3.454283|6.282654|4.998367|25.191927|9.841179|8.929387|17.571430|8.887345|9.760258|0.226638|5.797259|4.297079|6.429531|3.832360|4.736560|6.924098|13.434347|4.829546|4.262346|3.314087|2.946177|3.118759|3.869414|18.036578|4.672325|4.040018|2.236448|15.326994|0.090361|0.090672|0.072491|0.061858|0.064172|0.210090|0.174561|0.300959|0.500000| |2.576165|2.523744|2.166013|2.061532|2.221169|2.624387|2.857629|4.784105|3.744341|21.151008|6.479781|7.164686|8.836867|17.613754|12.473566|0.222941|5.592669|4.184142|7.175302|4.751707|7.394444|4.300378|8.661211|3.232519|2.859804|2.380207|2.210589|2.371465|2.844115|14.651748|3.877411|3.283464|1.897031|14.010057|0.072572|0.079495|0.063293|0.055294|0.057678|0.222273|0.173250|0.173188|0.207023|0.500000| |3.049842|2.869773|2.412780|2.230020|2.346884|2.774787|3.158968|5.297489|3.829032|21.067813|6.076045|6.553134|8.720207|17.613261|12.399425|0.182197|7.041244|4.655328|7.775684|4.626032|6.941261|3.733519|6.834148|2.938301|2.742402|2.291893|2.080180|2.163438|2.528110|13.258328|3.418596|3.017687|1.738268|15.006952|0.084903|0.098458|0.074416|0.061987|0.059746|0.165767|0.188418|0.213885|0.173275|0.301508|0.500000| |2.925977|2.584910|2.192607|1.980814|2.018338|2.320145|2.685563|4.340692|2.982939|16.819261|4.489515|4.021279|5.556990|7.046824|12.415759|0.181902|17.623343|8.829627|12.629380|5.865408|6.991400|2.942426|5.313576|2.497021|2.447061|2.109992|1.902910|1.927222|2.173707|11.905189|3.035583|2.783476|1.541686|13.586395|0.084574|0.093302|0.073505|0.057950|0.051271|0.100703|0.110749|0.169114|0.135168|0.145762|0.216898|0.500000| |3.116271|2.761117|2.303065|2.080637|2.141461|2.504651|2.928513|4.921037|3.397402|18.432898|5.279531|4.514107|6.985765|6.953324|12.298130|0.225311|17.654599|8.798773|10.161864|5.016961|5.615040|3.540501|6.350765|3.001181|2.974787|2.518948|2.232279|2.244892|2.550311|13.558718|3.440248|3.175078|1.717939|14.097345|0.094351|0.096152|0.076666|0.060202|0.054191|0.109152|0.115869|0.229878|0.187313|0.142232|0.173836|0.299769|0.500000| |2.382745|2.110958|1.838971|1.674248|1.692367|1.901954|2.156207|3.373934|2.347951|13.744835|3.494029|2.873226|3.714025|4.106385|7.608447|0.144128|8.920970|17.644150|16.895516|5.891280|5.014592|2.437704|4.444452|2.178174|2.173561|1.939631|1.768624|1.771850|1.946039|11.124958|2.833651|2.656817|1.421241|11.749542|0.070726|0.072157|0.061657|0.049356|0.043480|0.074218|0.076615|0.110441|0.102677|0.097049|0.111613|0.215287|0.209825|0.500000| |2.232585|2.038065|1.776889|1.643778|1.690361|1.915397|2.138415|3.401643|2.445354|14.263536|3.780514|3.107259|4.127049|4.548664|9.319939|0.206208|8.818519|17.495400|16.534975|7.319519|5.850341|2.733396|5.152942|2.414965|2.356569|2.090396|1.925746|1.958014|2.174110|12.304307|3.178002|2.925285|1.544835|11.506699|0.066540|0.066629|0.057060|0.047123|0.043745|0.081948|0.079490|0.115584|0.122569|0.110313|0.113258|0.173043|0.214014|0.301394|0.500000| |1.825510|1.713672|1.531335|1.443210|1.489938|1.659961|1.800060|2.779875|2.041772|12.469240|3.127860|2.688329|3.227169|4.127224|7.602726|0.144107|5.007851|5.891155|16.889060|17.645186|8.918315|2.231881|4.302580|1.942175|1.836839|1.644906|1.557282|1.620406|1.804385|10.525227|2.769929|2.471802|1.359824|10.281971|0.052039|0.055190|0.047306|0.040737|0.039124|0.075581|0.071445|0.084403|0.089085|0.113633|0.110729|0.131421|0.109966|0.132129|0.148305|0.500000| |1.906242|1.794278|1.590327|1.500199|1.559936|1.755168|1.907048|2.995727|2.222636|13.362605|3.488192|2.962366|3.704455|4.565280|9.312510|0.206149|5.842926|7.318813|16.530723|17.496992|8.817326|2.553343|5.018543|2.213161|2.080441|1.852848|1.753038|1.830829|2.051999|11.805589|3.123446|2.772469|1.496473|10.608509|0.055237|0.057052|0.048927|0.042037|0.040914|0.083040|0.075887|0.095352|0.108267|0.124126|0.112691|0.134530|0.131395|0.148304|0.219647|0.301370|0.500000| |2.075402|1.991610|1.754914|1.668065|1.758395|2.002753|2.161969|3.439364|2.604745|15.572001|4.191449|3.869221|4.721316|7.093195|12.326030|0.225906|5.618846|5.020360|10.156220|8.778411|17.623522|2.969461|5.949041|2.443455|2.229248|1.939866|1.834396|1.949138|2.244800|12.478477|3.325148|2.862034|1.609203|11.673952|0.058830|0.063229|0.052575|0.045832|0.046141|0.114133|0.099618|0.112033|0.128232|0.228514|0.171051|0.142905|0.126424|0.110024|0.131449|0.209147|0.213498|0.500000| |2.262759|2.116469|1.854185|1.732699|1.796766|2.038566|2.247595|3.548342|2.586283|15.324513|3.999631|3.705804|4.597460|7.110804|12.404655|0.181883|6.987985|5.874436|12.649619|8.835442|17.626725|2.710110|5.157437|2.265179|2.128454|1.855555|1.727831|1.799421|2.045289|11.426892|2.984811|2.643924|1.490889|12.107157|0.063619|0.070506|0.057592|0.048825|0.046660|0.102815|0.101125|0.117881|0.115854|0.185962|0.212796|0.208749|0.142746|0.131596|0.134663|0.215385|0.173077|0.299722|0.500000| |3.882131|4.213346|3.460883|3.323232|3.750991|4.823052|5.304844|9.083558|7.262547|38.451628|9.139877|4.622669|4.337374|3.219192|3.906823|0.082891|2.854473|2.445588|3.786672|2.124820|2.353549|6.860770|8.821639|8.879801|17.742619|8.964715|5.662218|4.972330|5.634136|24.153685|5.476113|5.483157|3.012703|20.932357|0.123093|0.100854|0.090473|0.083293|0.093411|0.109305|0.115199|0.128864|0.126999|0.082898|0.082565|0.074621|0.092092|0.065268|0.069518|0.052986|0.059762|0.063961|0.062429|0.500000| |2.916787|3.161833|2.870737|2.870005|3.154213|3.571313|3.582865|5.150600|3.971636|26.901271|5.077489|2.940667|2.821081|2.303341|2.925987|0.062434|2.155540|1.947885|3.076233|1.721962|1.845225|4.079488|6.050033|5.635882|8.925494|17.740287|8.926749|5.655631|4.943189|27.779526|5.730731|6.873892|3.430177|19.422330|0.090508|0.074039|0.072833|0.071766|0.082831|0.074835|0.075848|0.081642|0.083210|0.060907|0.059968|0.056651|0.067397|0.052786|0.056012|0.043696|0.048916|0.050506|0.049023|0.216633|0.500000| |2.166607|2.350251|2.207922|2.284394|2.547867|2.782325|2.654084|3.792334|3.068218|22.337322|4.162687|2.501106|2.365332|2.005620|2.568664|0.055428|1.840470|1.697013|2.740174|1.562986|1.663479|3.564098|5.663424|4.942199|5.643792|8.896460|17.745964|8.917202|5.637229|47.248758|8.141199|13.125976|5.303474|16.200459|0.064600|0.056710|0.055216|0.055963|0.070392|0.066966|0.063981|0.065533|0.070715|0.054702|0.051856|0.048205|0.055957|0.045504|0.049236|0.040101|0.044897|0.046418|0.043916|0.124361|0.214292|0.500000| |2.203325|2.390380|2.161296|2.227884|2.581870|3.016265|2.867448|4.465965|4.078157|28.536877|6.631514|3.907328|3.422228|2.853212|3.483312|0.076873|2.308577|2.062708|3.376655|2.014294|2.236951|7.224739|13.100384|8.894821|5.638560|4.945786|5.633129|8.923824|17.761562|47.321812|13.399667|8.216175|5.152668|15.316735|0.063943|0.060785|0.054659|0.053794|0.071110|0.114329|0.092518|0.086311|0.106199|0.082118|0.070621|0.059570|0.068823|0.053117|0.059927|0.051300|0.058337|0.064902|0.057913|0.123867|0.107447|0.124201|0.500000| |1.850065|2.059748|1.971452|2.126774|2.479620|2.670620|2.387372|3.381959|2.908762|23.725121|4.062305|2.528558|2.233274|1.965202|2.439429|0.052147|1.671549|1.528044|2.548524|1.497024|1.628547|3.490145|5.894833|4.194861|3.663572|3.848268|4.843724|6.348578|5.580860|57.241281|12.096312|9.658515|17.628952|15.357306|0.052598|0.050004|0.047191|0.049553|0.072441|0.072413|0.065264|0.058964|0.065173|0.056078|0.051028|0.044358|0.049112|0.040268|0.043735|0.039020|0.042759|0.046835|0.043279|0.085526|0.091093|0.125976|0.159278|0.500000| |1.622879|1.774612|1.712125|1.827134|2.069134|2.186514|2.001412|2.819491|2.343702|18.365698|3.277211|2.098007|1.916174|1.713947|2.175028|0.046653|1.504189|1.398584|2.340154|1.370111|1.466623|2.775945|4.801028|3.278900|3.009776|3.295612|4.223133|5.089192|4.185354|58.265718|11.875593|11.888398|17.600703|13.479782|0.046374|0.043783|0.041897|0.043710|0.060061|0.059765|0.054383|0.050999|0.056243|0.048729|0.044602|0.039837|0.044048|0.037038|0.040253|0.035876|0.039343|0.042072|0.038902|0.071759|0.081097|0.120480|0.118068|0.298667|0.500000| 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