Version2.1 2020-12-27T17:51:13Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 21-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]1CCCC[C@@H]1NC(=O)NC(=O)CSc2nnc(n2N)COc3ccc(cc3)C(C)(C)C C24467832 RHF 6-31G(d) (6D,7F) C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CSc2nnc(n2N)COc3ccc(cc3)C(C)(C)C C01[X(C23H34N6O3S1)] 195 C1 567 O=C(NC(=O)N[C@H]1CCCC[C@H]1C)CSc1nnc(n1N)COc1ccc(cc1)C(C)(C)C O=C(NC(=O)N[C@H]1CCCC[C@H]1C)CSc1nnc(n1N)COc1ccc(cc1)C(C)(C)C C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CSc2nnc(COc3ccc(cc3)C(C)(C)C)n2N InChIKey=IJEMXJZNRWLKEC-QAPCUYQASA-N InChI=1S/C23H34N6O3S/c1-15-7-5-6-8-18(15)25-21(31)26-20(30)14-33-22-28-27-19(29(22)24)13-32-17-11-9-16(10-12-17)23(2,3)4/h9-12,15,18H,5-8,13-14,24H2,1-4H3,(H2,25,26,30,31)/t15-,18+/m1/s1 InChI=1/C23H34N6O3S/c1-15-7-5-6-8-18(15)25-21(31)26-20(30)14-33-22-28-27-19(29(22)24)13-32-17-11-9-16(10-12-17)23(2,3)4/h9-12,15,18H,5-8,13-14,24H2,1-4H3,(H2,25,26,30,31)/t15-,18+/m1/s1/f/h25-26H C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CSc2nnc(n2N)COc3ccc(cc3)C(C)(C)C C01[X(C23H34N6O3S1)] 195 C01 567 O=C(NC(=O)N[C@H]1CCCC[C@H]1C)CSc1nnc(n1N)COc1ccc(cc1)C(C)(C)C O=C(NC(=O)N[C@H]1CCCC[C@H]1C)CS[C]1[N][N]=C(N1N)CO[C]1[CH][CH][C]([CH][CH]1)C(C)(C)C C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CS[C]2[N]N=C(CO[C]3[CH][CH][C]([CH][CH]3)C(C)(C)C)N2N InChIKey=IJEMXJZNRWLKEC-QAPCUYQASA-N InChI=1S/C23H34N6O3S/c1-15-7-5-6-8-18(15)25-21(31)26-20(30)14-33-22-28-27-19(29(22)24)13-32-17-11-9-16(10-12-17)23(2,3)4/h9-12,15,18H,5-8,13-14,24H2,1-4H3,(H2,25,26,30,31)/t15-,18+/m1/s1 InChI=1/C23H34N6O3S/c1-15-7-5-6-8-18(15)25-21(31)26-20(30)14-33-22-28-27-19(29(22)24)13-32-17-11-9-16(10-12-17)23(2,3)4/h9-12,15,18H,5-8,13-14,24H2,1-4H3,(H2,25,26,30,31)/t15-,18+/m1/s1/f/h25-26H 3250.8866706751 -1839.5397007 1-A 44815.1080 127 440 567 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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|A|A|A|A|A|A|A|A|A|A|A|A| 6.1354 11.2182 13.1129 25.0393 26.6308 29.3451 44.6634 55.4763 58.8893 66.2730 72.7458 81.7867 89.4191 108.5840 119.6637 131.0740 138.5744 153.7961 177.8210 199.9398 219.0776 230.6819 238.9344 242.0154 247.3236 259.0258 278.5670 280.5439 290.1957 303.2069 322.4024 336.3566 341.3227 347.3022 356.0294 363.4747 367.6621 393.3225 402.4493 414.0825 440.5990 446.5020 462.6423 473.7395 475.5603 485.8747 518.9218 525.3191 534.3570 555.2792 569.3887 590.6856 602.0540 619.6300 625.6474 672.6464 695.5239 701.8342 720.0931 760.0696 777.0349 800.5093 812.8111 825.8715 833.6207 856.5547 875.0051 890.3993 899.0261 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3210.9862 3230.0178 3235.2098 3237.6838 3240.6801 3259.5415 3260.5941 3263.9028 3264.0088 3264.5628 3269.5237 3272.0010 3272.5318 3275.4027 3277.7886 3297.0999 3298.8959 3315.8889 3371.4501 3389.0071 3392.6993 3408.8522 3739.6090 3842.1305 3863.1001 3875.6795 5.4298 4.1636 4.4137 4.4381 5.0492 4.6964 5.3179 7.8759 3.6817 5.2407 4.4730 4.3727 4.2004 5.8253 3.4351 4.7210 6.3839 3.5304 4.7215 3.2173 4.5033 4.3599 1.0697 1.4377 3.0068 4.5845 4.1963 2.2029 1.9226 1.3397 2.9696 1.9038 2.1101 2.7551 2.3061 2.5674 1.0456 2.4810 2.5110 4.0777 2.8770 1.8597 3.0800 2.8919 3.1737 3.5790 4.3914 7.0697 2.1674 1.2873 4.0486 4.0494 2.4690 2.3293 2.0565 4.0178 3.3856 6.9243 5.5156 6.4315 11.6165 7.5044 3.6581 3.0087 6.2747 5.2322 4.7466 1.6077 3.9845 2.7172 2.7558 1.2896 1.6293 2.4503 5.7325 1.3899 1.7503 1.6060 1.7123 1.9944 2.8826 2.8525 1.1953 1.5327 1.3640 1.4693 2.8318 1.3333 2.8463 3.6201 1.7462 2.2000 1.5119 2.7549 1.3818 1.6412 5.1555 2.9252 4.0591 3.3749 1.3624 1.8748 1.6774 1.9612 2.9384 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12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 14.00307 12.00000 15.99491 14.00307 12.00000 15.99491 12.00000 31.97207 12.00000 14.00307 14.00307 12.00000 14.00307 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 4499.1311 76997.3468 77710.9975 0.99999 0.00403 0.00219 -0.00387 0.99780 -0.06615 -0.00245 0.06614 0.99781 1 0.01925 0.00112 0.00111 0.40113 0.02344 0.02322 8.83 16.14 18.87 36.03 38.32 42.22 64.26 79.82 84.73 95.35 104.66 117.67 128.65 156.23 172.17 188.59 199.38 221.28 255.84 287.67 315.20 331.90 343.77 348.21 355.84 372.68 400.80 403.64 417.53 436.25 463.87 483.94 491.09 499.69 512.25 522.96 528.98 565.90 579.03 595.77 633.92 642.42 665.64 681.61 684.23 699.07 746.61 755.82 768.82 798.92 819.22 849.86 866.22 891.51 900.17 967.79 1000.70 1009.78 1036.05 1093.57 1117.98 1151.75 1169.45 1188.24 1199.39 1232.39 1258.94 1281.09 1293.50 1303.32 1310.99 1330.45 1361.59 1365.53 1372.13 1410.74 1452.14 1464.88 1467.48 1468.08 1491.20 1509.75 1510.62 1521.65 1537.70 1561.09 1574.12 1583.35 1596.04 1613.49 1624.99 1634.74 1638.18 1643.22 1659.97 1689.14 1697.28 1726.00 1728.14 1743.10 1743.37 1779.51 1825.49 1840.95 1846.47 1860.61 1876.02 1895.32 1936.49 1942.34 1950.70 1964.19 1970.99 1992.71 2013.82 2029.70 2036.91 2048.87 2100.85 2101.51 2109.97 2112.68 2133.66 2156.30 2165.36 2174.93 2177.39 2196.02 2219.53 2224.32 2232.25 2236.50 2247.06 2256.64 2272.62 2281.12 2303.80 2340.28 2346.89 2350.75 2351.53 2357.77 2358.45 2362.99 2363.65 2367.85 2375.91 2384.73 2385.06 2385.70 2400.08 2437.10 2440.33 2441.73 2451.98 2555.55 2582.53 2625.47 2677.33 2846.92 2957.44 4552.58 4578.44 4580.93 4590.25 4603.94 4604.98 4605.66 4611.41 4619.89 4647.28 4654.75 4658.30 4662.62 4689.75 4691.27 4696.03 4696.18 4696.98 4704.12 4707.68 4708.44 4712.57 4716.01 4743.79 4746.38 4770.82 4850.76 4876.03 4881.34 4904.58 5380.46 5527.97 5558.14 5576.24 0.608809 0.640949 0.641893 0.538442 -1838.930892 -1838.898752 -1838.897807 -1839.001258 3.469764D-04 MUNgauss RevisionA2.0 retrievium 27-Dec-2020 DUDE C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CSc2nnc(n2N)COc3ccc(cc3)C(C)(C)C C24467832 RHF 6-31G(d) (6D,10F) C1 474.241311 |X|Y|Z| 40.265452 35.638386 204.752822 66.480381 25 6 7 8 16 18 5 1 1 |36.858105| |12.458356|36.858105| |8.954277|17.493201|0.500000| |7.489979|12.397346|0.248925|36.858105| |4.875486|7.485270|0.192688|12.436093|36.858105| |4.319948|6.412195|0.161209|7.520725|12.442571|36.858105| |4.873558|7.521421|0.194787|6.454536|7.533939|12.440150|36.858105| |7.447121|12.370892|0.251220|7.483262|6.397496|7.471537|12.407311|36.858105| |6.850880|8.877355|0.221479|5.497656|4.850211|5.496353|8.895831|17.636763|0.500000| |6.442606|7.704720|0.157237|6.153902|5.158156|6.126232|7.660551|13.025883|0.259883|53.358707| |4.734918|5.134639|0.117989|4.280875|3.875188|4.696672|5.901875|7.763629|0.208369|19.052691|36.858105| |4.162861|4.525446|0.111141|3.683131|3.460422|4.209979|5.628798|6.805482|0.214795|11.471467|16.021626|73.516695| |3.956002|4.041603|0.094097|3.663691|3.317917|3.869358|4.320778|5.191220|0.136122|11.328705|13.552741|14.796066|53.358707| |3.100510|3.146013|0.076446|2.907424|2.725059|3.160279|3.471604|3.881353|0.105831|7.187034|7.659649|11.685374|18.777583|36.858105| |2.786617|2.878734|0.071787|2.639394|2.541126|2.990982|3.351396|3.594377|0.100842|6.180999|6.541542|11.830832|11.366744|16.073310|73.516695| |2.757775|2.717219|0.066395|2.592134|2.408391|2.687737|2.826285|3.140684|0.084671|5.573618|5.068057|7.804612|10.794175|12.537627|14.221398|36.858105| |2.204719|2.192188|0.055105|2.102924|2.005848|2.233618|2.340082|2.501389|0.068641|4.138323|3.658159|6.141970|6.510208|6.996131|11.859477|10.516975|388.023441| |2.026466|1.982972|0.049937|1.937983|1.833863|1.988200|2.035828|2.183016|0.059347|3.553687|2.963469|4.888766|5.112111|4.691499|7.538116|7.126887|77.173801|36.858105| |2.110784|2.040127|0.051010|2.015715|1.882762|2.009759|2.033021|2.204826|0.059330|3.610430|2.925181|4.711148|5.069089|4.333772|6.637334|6.616578|49.459609|14.851908|53.358707| |1.864830|1.799173|0.045468|1.790591|1.681407|1.773281|1.780879|1.913141|0.051608|3.051348|2.420389|3.959137|4.005467|3.307504|5.273627|4.487311|35.058148|8.907421|18.931705|53.358707| |1.709203|1.662313|0.042381|1.645497|1.562429|1.658651|1.675153|1.779845|0.048385|2.802798|2.245659|3.746581|3.651754|3.080981|5.101617|4.022976|35.249642|8.865066|12.098587|20.274723|36.858105| |1.772977|1.738083|0.044301|1.704061|1.626666|1.752106|1.788287|1.894165|0.051768|3.002531|2.465094|4.152213|4.055832|3.589429|6.068953|4.769194|49.704192|14.036927|11.971803|11.989521|13.987522|53.358707| |1.631077|1.610685|0.041450|1.571353|1.515397|1.639953|1.683991|1.763309|0.048587|2.749196|2.267672|3.907928|3.626603|3.218384|5.716814|3.950293|42.370422|7.677177|7.381591|7.431724|7.808915|18.773736|53.358707| |1.512760|1.472945|0.037894|1.462876|1.397094|1.472663|1.482347|1.562460|0.042589|2.414471|1.910527|3.222720|3.018470|2.489740|4.207596|3.063054|25.995493|5.299519|7.207740|10.495972|12.780077|10.292011|8.638197|36.858105| |1.433432|1.412205|0.036446|1.412334|1.364157|1.444271|1.443599|1.501787|0.040785|2.307238|1.819998|3.078927|2.852186|2.350311|4.024344|2.825175|24.176430|4.599768|6.029049|7.816027|8.155681|8.606344|8.142394|13.604143|73.516695| |1.301760|1.283999|0.033347|1.286108|1.247420|1.314425|1.311723|1.357531|0.036942|2.059940|1.612682|2.746900|2.483619|2.018415|3.489121|2.354600|19.645133|3.478037|4.601306|5.666198|5.263170|6.042527|6.136636|8.012052|25.009610|36.858105| |1.240270|1.233822|0.032146|1.241461|1.214936|1.283796|1.274949|1.306234|0.035472|1.970317|1.537849|2.627461|2.348590|1.901822|3.317806|2.175811|18.057945|3.047551|3.986797|4.649450|4.098896|5.070519|5.301437|5.257070|14.544954|13.678225|36.858105| |1.138991|1.133357|0.029676|1.141026|1.119470|1.177744|1.168970|1.194024|0.032486|1.784283|1.384689|2.376973|2.088846|1.673952|2.933482|1.881486|15.318969|2.505827|3.305479|3.779758|3.211093|4.032783|4.239947|3.990625|9.412255|7.942058|13.862174|36.858105| |1.092161|1.080572|0.028353|1.084966|1.060023|1.108955|1.103937|1.132614|0.030908|1.686030|1.304828|2.244147|1.959078|1.560366|2.729114|1.748917|14.073587|2.300763|3.068946|3.532973|2.969169|3.676978|3.838142|3.761695|8.116700|6.752153|7.839255|13.590625|36.858105| |1.135251|1.115660|0.029213|1.116303|1.083281|1.130641|1.129617|1.167673|0.031921|1.744648|1.352469|2.321881|2.040260|1.627121|2.829402|1.843303|14.838970|2.480454|3.337621|3.940782|3.352747|4.022221|4.143977|4.506653|9.218099|7.938483|6.930876|8.051758|13.776846|36.858105| |1.237073|1.212460|0.031593|1.211066|1.170064|1.224447|1.225473|1.273371|0.034781|1.919746|1.496051|2.556806|2.283640|1.836911|3.173842|2.121678|17.322457|3.011716|4.057699|4.983533|4.432473|5.069718|5.134001|6.721412|13.967331|13.814740|7.974524|6.918129|7.826593|13.658759|36.858105| |1.004052|0.994775|0.026217|0.999631|0.979595|1.021636|1.016174|1.038945|0.028385|1.534438|1.181951|2.040350|1.757020|1.388349|2.437376|1.533918|12.174098|1.941904|2.596902|2.925217|2.396140|3.024856|3.157420|2.893970|5.933067|4.370972|4.976269|7.476898|12.390922|7.402002|4.931256|36.858105| |0.971532|0.966221|0.025535|0.968273|0.952917|0.997662|0.995139|1.013052|0.027749|1.490902|1.152301|2.001127|1.704550|1.351613|2.394981|1.478550|11.829338|1.848511|2.433578|2.687879|2.211017|2.872504|3.069677|2.601005|5.318615|3.752657|4.375749|6.201280|7.569099|5.271397|3.992259|12.361475|36.858105| |0.968736|0.955075|0.025214|0.957360|0.934666|0.970339|0.967693|0.993281|0.027206|1.462558|1.124079|1.943096|1.664774|1.308976|2.293832|1.442781|11.342019|1.805759|2.432941|2.741430|2.221458|2.789910|2.890436|2.675281|5.211067|3.689555|3.824979|4.934459|7.465874|6.580742|4.443704|12.401114|7.656511|36.858105| |0.981112|0.974704|0.025700|0.985410|0.968389|1.007136|0.995470|1.014259|0.027606|1.494560|1.143831|1.968084|1.695991|1.329910|2.326690|1.463704|11.448242|1.816896|2.456782|2.750851|2.204316|2.776952|2.845654|2.594316|5.319498|3.752481|4.375594|6.201432|7.569098|5.272817|3.993107|12.361499|7.574713|7.656404|36.858105| |17.562830|8.747061|0.173676|6.787888|4.491537|4.102016|4.439992|6.591143|0.163153|9.502084|5.104044|7.534065|6.130731|3.432524|5.309132|3.107938|17.141557|2.233917|3.212396|2.810678|1.868461|2.627740|2.386760|1.638426|2.743853|1.392579|1.320180|1.206505|1.155900|1.205590|1.320881|1.057802|1.019618|1.019790|1.033069|0.500000| |17.547033|8.772971|0.212341|5.458059|4.045076|3.802641|4.540171|6.892117|0.207535|8.079917|4.776681|7.869413|5.317467|3.119410|5.059731|2.741597|15.748222|2.015792|2.829240|2.499055|1.694776|2.407293|2.228713|1.501427|2.519826|1.288299|1.224764|1.125765|1.081990|1.126776|1.227733|0.995147|0.965186|0.962112|0.968616|0.302019|0.500000| |17.545007|8.805540|0.216870|6.807344|4.526746|3.795945|4.062739|5.454042|0.141768|6.503060|3.735523|5.987750|4.440281|2.655177|4.284998|2.425033|14.090588|1.853323|2.641255|2.367539|1.595617|2.231803|2.057469|1.425626|2.404077|1.235315|1.178184|1.086913|1.045707|1.086643|1.179355|0.964872|0.932419|0.933555|0.945200|0.301826|0.301506|0.500000| |6.831657|8.786921|0.174199|17.465049|8.828707|6.712989|5.615733|6.671765|0.137735|9.087041|4.564201|6.651632|5.579796|3.183085|5.001633|2.880925|16.229710|2.119016|3.036843|2.676723|1.787162|2.509862|2.288365|1.576304|2.699972|1.374765|1.323379|1.210405|1.148373|1.183628|1.290041|1.053511|1.016758|1.007078|1.039174|0.202599|0.139893|0.168091|0.500000| |6.940541|8.839993|0.215743|17.534225|8.819197|5.486949|4.848199|5.476456|0.123801|6.375279|3.511316|5.512539|4.229019|2.539809|4.121482|2.320081|13.601442|1.791629|2.551170|2.294746|1.549067|2.164133|1.997655|1.388284|2.380252|1.225604|1.182622|1.091617|1.042095|1.072865|1.160089|0.963273|0.931569|0.925527|0.951445|0.171431|0.141140|0.206904|0.305033|0.500000| |4.055064|5.469244|0.141346|8.816459|17.535592|8.805116|5.487263|4.808097|0.106692|5.821980|3.363270|5.328770|4.107502|2.530938|4.186079|2.290423|13.694519|1.785634|2.510057|2.258637|1.539371|2.166334|2.014443|1.382211|2.410690|1.242890|1.214597|1.120685|1.059832|1.080372|1.164662|0.980622|0.952265|0.934413|0.973596|0.108119|0.094530|0.108294|0.215392|0.211507|0.500000| |4.519770|6.742431|0.204683|8.865591|17.502438|8.862136|6.780622|5.626737|0.127592|5.885959|3.406608|5.630408|3.948830|2.438548|4.112245|2.159979|13.037558|1.678249|2.332738|2.100177|1.443655|2.045147|1.920025|1.300402|2.258783|1.168276|1.139593|1.055005|1.001864|1.022858|1.100267|0.929584|0.906424|0.889013|0.918793|0.110772|0.107721|0.120908|0.173749|0.215898|0.303542|0.500000| |4.102702|5.605547|0.132907|6.728947|8.838305|17.490625|8.819012|6.688561|0.138089|9.071780|5.135417|7.744061|6.024131|3.556917|5.856481|3.027084|17.545354|2.191307|3.026954|2.644767|1.806021|2.600679|2.413545|1.589984|2.776778|1.412307|1.379004|1.257865|1.179140|1.202193|1.307688|1.081332|1.053538|1.023421|1.066645|0.114471|0.099992|0.099343|0.195791|0.138491|0.214947|0.173783|0.500000| |3.505401|4.821934|0.129746|5.485087|8.814379|17.544110|8.835155|5.469357|0.123776|6.350058|3.910667|6.507866|4.526437|2.838761|4.891611|2.439789|14.840472|1.860798|2.541078|2.262399|1.568290|2.256827|2.131582|1.402951|2.464482|1.268255|1.246784|1.147922|1.079077|1.094942|1.180513|0.997522|0.977343|0.945842|0.985463|0.092496|0.088255|0.088235|0.138296|0.123216|0.211009|0.215462|0.304663|0.500000| |4.053550|5.494577|0.142951|4.835921|5.481924|8.777455|17.569653|8.856180|0.213611|9.666606|6.441625|11.723358|6.301923|3.821229|6.785533|3.005311|17.891577|2.137579|2.860778|2.491032|1.735142|2.551831|2.420026|1.530440|2.659177|1.356012|1.321028|1.208316|1.137022|1.161319|1.261378|1.044858|1.026757|0.992050|1.021098|0.106482|0.109084|0.094832|0.125615|0.106689|0.122908|0.139258|0.213276|0.211240|0.500000| |4.538315|6.816057|0.209040|5.695888|6.806020|8.864507|17.507442|8.899864|0.220161|7.634532|4.643584|8.360853|4.822939|2.962108|5.175779|2.463458|14.878223|1.837303|2.492489|2.209221|1.535951|2.223964|2.110730|1.371957|2.377341|1.223225|1.191027|1.098065|1.040475|1.063547|1.148311|0.962144|0.944226|0.918675|0.942878|0.110102|0.120834|0.109284|0.130856|0.127728|0.139516|0.200316|0.173570|0.215310|0.303505|0.500000| |5.950136|7.010995|0.142055|6.729873|5.532794|6.377137|6.623317|9.015190|0.181026|26.068852|9.437761|10.953936|10.756344|5.087995|7.531966|4.183490|21.729495|2.684849|3.780715|3.189611|2.127076|3.071301|2.779740|1.826706|3.111517|1.558362|1.491782|1.347634|1.270164|1.313238|1.447330|1.153870|1.116874|1.097474|1.128224|0.191516|0.142347|0.128726|0.232452|0.139672|0.132285|0.122123|0.214172|0.132789|0.167545|0.136814|0.500000| |4.180483|4.121145|0.094009|3.857971|3.374099|3.774351|4.018243|4.925095|0.124927|10.755029|9.281694|10.885169|26.041425|9.369650|10.839604|7.782349|32.086803|3.820492|5.424747|4.257632|2.773114|4.088934|3.571945|2.280434|3.802626|1.856993|1.746558|1.551263|1.458078|1.524135|1.710930|1.305430|1.258009|1.238980|1.263935|0.139452|0.111164|0.096253|0.125075|0.091575|0.086478|0.080886|0.121424|0.089182|0.113973|0.092280|0.239265|0.500000| |2.859419|2.721067|0.066393|2.565457|2.329680|2.536916|2.685491|3.069862|0.083719|5.399288|4.768519|7.369688|9.597801|8.867611|11.050269|17.605687|56.415278|6.712924|9.337009|6.350301|4.052472|6.271553|5.114698|3.088068|4.909395|2.311764|2.104766|1.830316|1.722874|1.836079|2.118589|1.512757|1.450479|1.435997|1.439591|0.090869|0.079691|0.070027|0.079172|0.064523|0.061377|0.058365|0.078105|0.063558|0.077741|0.065739|0.111595|0.209001|0.500000| |2.744461|2.731449|0.066267|2.689028|2.506398|2.783817|2.829636|3.102997|0.081384|5.528499|4.710909|7.019310|9.777083|8.834204|10.918888|17.612968|56.523528|6.815472|9.647486|6.466126|4.087699|6.295152|5.085876|3.106210|5.168644|2.411496|2.241204|1.929425|1.781853|1.869789|2.153352|1.559867|1.494495|1.460341|1.501316|0.086710|0.074034|0.067548|0.084718|0.066827|0.067185|0.061685|0.088994|0.070120|0.082603|0.068020|0.121246|0.219009|0.303256|0.500000| |1.607609|1.604950|0.041358|1.573165|1.531651|1.669724|1.707066|1.766592|0.048501|2.748183|2.268042|3.917084|3.611287|3.217860|5.813598|3.852683|41.644510|6.714988|6.601886|6.456320|6.272316|13.201002|25.910895|5.324100|10.000955|4.359034|4.004449|3.182881|2.800790|2.930172|3.539946|2.316409|2.280269|2.087044|2.106085|0.047818|0.044679|0.041345|0.046709|0.040690|0.041647|0.039577|0.050305|0.044546|0.050363|0.043610|0.056827|0.071967|0.098186|0.102959|0.500000| 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