Version2.0 2020-01-12T05:51:19Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 10-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCC(C)(C)NC(=O)[C@@H](c1ccc2c(c1)cccn2)N(C3CCCC3)C(=O)c4c(c(ns4)C(=O)N)N C06077434 RHF 6-31G(d) (6D,7F) CCC(C)(C)NC(=O)[C@@H](c1ccc2c(c1)cccn2)N(C3CCCC3)C(=O)c4c(c(ns4)C(=O)N)N C01[X(C26H32N6O3S1)] 198 C1 608 CCC(NC(=O)[C@H](N(C(=O)c1snc(c1N)C(=O)N)C1CCCC1)c1ccc2c(c1)cccn2)(C)C CCC(NC(=O)[C@H](N(C(=O)c1snc(c1N)C(=O)N)C1CCCC1)c1ccc2c(c1)cccn2)(C)C CCC(C)(C)NC(=O)[C@H](N(C1CCCC1)C(=O)c2snc(C(N)=O)c2N)c3ccc4ncccc4c3 InChIKey=UTRQBOVHRCLNID-OAQYLSRUSA-N InChI=1S/C26H32N6O3S/c1-4-26(2,3)30-24(34)21(16-11-12-18-15(14-16)8-7-13-29-18)32(17-9-5-6-10-17)25(35)22-19(27)20(23(28)33)31-36-22/h7-8,11-14,17,21H,4-6,9-10,27H2,1-3H3,(H2,28,33)(H,30,34)/t21-/m1/s1 InChI=1/C26H32N6O3S/c1-4-26(2,3)30-24(34)21(16-11-12-18-15(14-16)8-7-13-29-18)32(17-9-5-6-10-17)25(35)22-19(27)20(23(28)33)31-36-22/h7-8,11-14,17,21H,4-6,9-10,27H2,1-3H3,(H2,28,33)(H,30,34)/t21-/m1/s1/f/h30H,28H2 CCC(C)(C)NC(=O)[C@@H](c1ccc2c(c1)cccn2)N(C3CCCC3)C(=O)c4c(c(ns4)C(=O)N)N C01[X(C26H32N6O3S1)] 198 C01 608 CCC(NC(=O)[C@H](N(C(=O)c1snc(c1N)C(=O)N)C1CCCC1)c1ccc2c(c1)cccn2)(C)C CCC(NC(=O)[C@H](N(C(=O)[C@H]1SN[C@H]([C@@H]1N)C(=O)N)C1CCCC1)C1=C[C@@H]2[C@@H](C=C1)NCC=C2)(C)C CCC(C)(C)NC(=O)[C@H](N(C1CCCC1)C(=O)[C@H]2SN[C@H]([C@@H]2N)C(N)=O)C3=C[C@H]4C=CCN[C@@H]4C=C3 InChIKey=VBDVEMFAJORBHU-NBGCZEHBSA-N InChI=1S/C26H40N6O3S/c1-4-26(2,3)30-24(34)21(16-11-12-18-15(14-16)8-7-13-29-18)32(17-9-5-6-10-17)25(35)22-19(27)20(23(28)33)31-36-22/h7-8,11-12,14-15,17-22,29,31H,4-6,9-10,13,27H2,1-3H3,(H2,28,33)(H,30,34)/t15-,18-,19+,20-,21-,22+/m1/s1 InChI=1/C26H40N6O3S/c1-4-26(2,3)30-24(34)21(16-11-12-18-15(14-16)8-7-13-29-18)32(17-9-5-6-10-17)25(35)22-19(27)20(23(28)33)31-36-22/h7-8,11-12,14-15,17-22,29,31H,4-6,9-10,13,27H2,1-3H3,(H2,28,33)(H,30,34)/t15-,18-,19+,20-,21-,22+/m1/s1/f/h30H,28H2 4196.0171604582 -1952.0363035 1-A 21071.5204 135 473 608 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.00668 -20.53980 -20.53904 -20.52765 -15.61760 -15.59451 -15.58779 -15.58385 -15.56955 -15.55852 -11.36980 -11.36758 -11.35232 -11.30251 -11.29684 -11.28766 -11.28227 -11.28201 -11.27880 -11.26576 -11.26494 -11.26343 -11.25972 -11.25563 -11.25218 -11.24780 -11.24321 -11.23876 -11.23391 -11.22250 -11.21672 -11.21564 -11.21412 -11.21186 -11.21023 -11.20783 -9.01325 -6.69592 -6.69425 -6.69263 -1.40929 -1.40671 -1.39551 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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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.07445 0.07804 0.11092 0.15147 0.16412 0.16902 0.19398 0.20697 0.22044 0.22789 0.23334 0.24140 0.24684 0.25018 0.25540 0.25589 0.26269 0.27170 0.27579 0.28378 0.28951 0.29274 0.29446 0.29648 0.30168 0.30313 0.30497 0.31332 0.31536 0.31803 0.32575 0.32932 0.33516 0.33921 0.34250 0.34451 0.34786 0.34930 0.35718 0.36015 0.36882 0.37928 0.38138 0.38372 0.39127 0.39802 0.39892 0.40470 0.40820 0.41231 0.41626 0.41866 0.42407 0.43328 0.43467 0.43749 0.44291 0.44965 0.45306 0.45954 0.47162 0.48116 0.48748 0.49306 0.49962 0.50452 0.50909 0.51734 0.53529 0.54389 0.55158 0.56044 0.56731 0.57773 0.58732 0.59282 0.62362 0.62833 0.64659 0.65713 0.67226 0.67924 0.68629 0.69743 0.70242 0.70736 0.71515 0.72277 0.72729 0.73199 0.73692 0.73748 0.73974 0.74382 0.74486 0.74926 0.76019 0.76404 0.77204 0.77957 0.78371 0.78588 0.79989 0.80282 0.80545 0.80755 0.80982 0.81506 0.82378 0.83142 0.83984 0.84450 0.84688 0.86208 0.86699 0.86921 0.87296 0.88189 0.89048 0.89538 0.89957 0.90645 0.90722 0.91317 0.91845 0.92259 0.92812 0.93302 0.93779 0.93938 0.94449 0.94631 0.95450 0.95626 0.96382 0.96460 0.97105 0.97811 0.98405 0.98838 0.98946 0.99373 1.00460 1.00765 1.01492 1.02751 1.02902 1.03913 1.04704 1.06086 1.06249 1.06490 1.07437 1.07877 1.08066 1.08490 1.08960 1.09240 1.10317 1.10805 1.11659 1.12569 1.13023 1.13675 1.14085 1.14366 1.14611 1.14736 1.14968 1.15383 1.15859 1.16033 1.16303 1.16659 1.16708 1.17078 1.17426 1.17802 1.18295 1.18735 1.19215 1.19780 1.20033 1.20290 1.20548 1.21270 1.22031 1.22437 1.23027 1.23350 1.23464 1.23816 1.23965 1.24375 1.25496 1.25641 1.26466 1.26989 1.27241 1.27612 1.28552 1.28803 1.29538 1.30324 1.30626 1.30854 1.31320 1.31570 1.33114 1.33362 1.34105 1.34851 1.35301 1.35958 1.37227 1.38255 1.39246 1.39734 1.41256 1.41710 1.42038 1.42492 1.44202 1.46447 1.46817 1.48127 1.48603 1.49067 1.49579 1.49775 1.51062 1.51114 1.52704 1.52910 1.54085 1.54309 1.55259 1.55671 1.57790 1.58353 1.59507 1.59983 1.61160 1.61578 1.63792 1.65113 1.65601 1.66313 1.67731 1.68100 1.68845 1.70137 1.72348 1.73717 1.74271 1.74679 1.74766 1.76183 1.76805 1.77210 1.78286 1.79076 1.79734 1.80411 1.82331 1.82475 1.83319 1.84492 1.86206 1.87799 1.88612 1.91405 1.92087 1.92664 1.93496 1.95254 1.95945 1.96427 1.97642 2.00445 2.02171 2.03606 2.05052 2.05360 2.06465 2.06501 2.07162 2.07997 2.09091 2.10200 2.10728 2.10856 2.11110 2.11326 2.12314 2.12848 2.12867 2.14420 2.14621 2.15441 2.16109 2.16901 2.17378 2.17521 2.17939 2.18314 2.19118 2.19591 2.20235 2.21429 2.22189 2.22886 2.23344 2.23937 2.25387 2.26136 2.27264 2.28551 2.29249 2.29684 2.31053 2.31495 2.31838 2.32918 2.33627 2.33908 2.34421 2.36229 2.36821 2.37759 2.38936 2.39993 2.40714 2.41167 2.42730 2.43276 2.43913 2.44458 2.45486 2.46432 2.47887 2.48171 2.48873 2.49329 2.50042 2.50198 2.51333 2.51489 2.52508 2.53235 2.54465 2.54931 2.55337 2.56717 2.58934 2.59419 2.60800 2.61049 2.62876 2.63205 2.63668 2.64322 2.64771 2.65528 2.65807 2.66256 2.66562 2.66973 2.67829 2.69102 2.69375 2.70650 2.70926 2.71591 2.73106 2.73480 2.74920 2.75828 2.76910 2.77842 2.78848 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196.24 208.06 224.38 261.79 281.15 300.88 320.24 324.95 333.01 361.95 391.39 412.17 429.36 446.01 449.51 455.79 469.15 487.12 525.72 535.51 541.03 566.24 603.68 629.81 647.28 651.79 677.31 688.46 700.23 707.62 720.03 731.92 785.73 791.11 808.59 821.64 831.15 841.38 872.15 896.96 924.65 944.01 962.22 967.12 972.99 989.97 1050.89 1065.90 1084.06 1120.71 1188.13 1207.18 1214.49 1221.13 1239.79 1241.03 1264.44 1278.78 1282.98 1294.66 1306.47 1337.52 1360.53 1366.79 1377.42 1390.52 1401.06 1441.67 1469.85 1475.80 1491.43 1495.87 1521.58 1529.46 1547.32 1554.70 1574.33 1575.26 1585.71 1588.38 1611.20 1615.26 1635.88 1638.53 1689.31 1693.01 1714.69 1726.46 1737.99 1748.31 1811.02 1834.77 1840.33 1843.92 1847.32 1889.95 1903.85 1911.19 1940.32 1943.87 1949.65 1973.21 1980.59 2009.88 2013.63 2033.40 2057.37 2085.33 2097.79 2101.66 2114.76 2116.35 2137.83 2143.39 2150.86 2156.04 2181.99 2185.63 2205.10 2221.19 2239.44 2259.40 2269.08 2293.44 2298.12 2315.29 2341.00 2343.49 2351.46 2352.67 2357.15 2365.87 2368.18 2368.72 2374.02 2381.94 2387.82 2402.25 2403.83 2410.12 2469.98 2540.48 2566.86 2569.49 2613.30 2619.71 2653.81 2696.62 2789.00 2817.26 4582.30 4617.82 4621.70 4624.95 4629.05 4632.86 4642.23 4659.03 4673.10 4690.93 4704.76 4706.62 4707.83 4721.71 4734.36 4743.78 4764.72 4777.71 4782.63 4789.15 4818.46 4828.63 4841.33 4864.21 4864.59 4886.17 4895.34 5478.77 5527.68 5582.59 5645.03 5719.34 0.604328 0.636461 0.637405 0.537401 -1951.431975 -1951.399843 -1951.398899 -1951.498902 3.354117D-04 MUNgauss RevisionA2.0 retrievium 12-Jan-2020 DUDE CCC(C)(C)NC(=O)[C@@H](c1ccc2c(c1)cccn2)N(C3CCCC3)C(=O)c4c(c(ns4)C(=O)N)N C06077434 RHF 6-31G(d) (6D,10F) C1 508.225661 |X|Y|Z| 73.288022 116.984434 44.888426 72.738636 23 6 7 16 19 3 1 |36.858105| |12.459465|36.858105| |7.287458|12.341337|36.858105| |6.095811|7.511033|12.420750|36.858105| |6.081870|7.507814|12.418036|7.550880|36.858105| |4.991744|7.979873|12.898854|7.740436|7.729139|53.358707| |3.756721|5.137962|7.545068|6.139517|6.173967|19.226654|36.858105| |3.454516|4.381485|6.553091|6.140388|6.126561|11.513724|15.859025|73.516695| |3.061046|4.016950|4.932938|4.185958|4.313153|10.640335|12.329949|14.120281|36.858105| |3.051142|3.983425|4.727629|3.801951|4.404718|9.658978|9.223058|11.658529|17.650196|0.500000| |2.956666|3.870320|4.295937|3.754624|3.568480|8.693328|7.237196|9.263793|12.466589|0.253920|36.858105| |2.560835|3.217362|3.392970|2.969648|2.976926|6.215269|4.925568|6.945556|7.585018|0.205176|13.344497|36.858105| |2.368129|2.896822|2.927882|2.628554|2.559358|5.049399|3.795185|5.581040|5.039669|0.135743|7.846777|14.058065|36.858105| |2.441822|2.970298|2.938082|2.713738|2.491548|4.948910|3.590664|5.326167|4.384620|0.112654|6.754248|7.906712|13.413229|36.858105| |2.775457|3.458233|3.461538|3.265420|2.804011|5.947865|4.237609|6.164714|4.929690|0.119035|7.859456|6.851104|7.844785|13.574128|36.858105| |3.109689|4.066693|4.356123|4.028078|3.413943|8.318188|6.162462|8.311758|7.430079|0.161326|14.004642|7.945829|6.836220|7.801413|13.399841|36.858105| |2.709273|3.249859|3.167719|3.130925|2.558895|5.065773|3.520303|5.356652|3.767340|0.092601|5.105762|4.539693|5.135068|7.901869|13.447646|7.641489|36.858105| |2.368963|2.741512|2.624452|2.586282|2.192053|4.061295|2.837968|4.424302|3.052369|0.077591|3.955764|3.831547|4.593522|6.985933|7.963309|5.131630|14.039182|36.858105| |2.162074|2.496138|2.392509|2.300029|2.049012|3.735917|2.646808|4.122344|2.949783|0.076802|3.856117|4.070018|5.344913|8.384535|6.998035|4.599559|7.994527|13.448422|36.858105| |2.183243|2.565375|2.487372|2.334962|2.147831|3.994032|2.869471|4.401900|3.343857|0.088021|4.563644|5.251483|7.977494|14.066111|7.874960|5.148546|6.829092|7.957991|14.732702|53.358707| |2.542676|3.142752|3.818932|3.492249|3.563104|7.036294|7.713679|12.528983|13.042340|0.262337|7.550777|5.988678|4.296481|3.723948|4.017721|5.397141|3.217461|2.695666|2.634977|4.036175|53.358707| |2.302869|2.768561|3.310808|3.250253|3.035249|5.721397|5.757582|10.275017|7.371879|0.155550|6.005762|4.891863|3.880703|3.562117|3.922017|5.046322|3.258371|2.734544|2.633631|3.947279|17.608985|36.858105| |2.068445|2.454003|2.788505|2.739264|2.529793|4.709990|4.274033|7.219672|5.570983|0.126384|5.686002|5.187770|4.383717|4.023001|4.238881|4.996432|3.492393|2.992533|2.948567|4.485652|10.174050|12.362579|36.858105| |1.936466|2.247619|2.536512|2.600624|2.290801|4.098456|3.579815|6.291313|4.142702|0.096131|4.272196|3.842090|3.505672|3.470678|3.772502|4.219046|3.359543|2.919066|2.796736|4.061750|6.830143|7.808387|12.321622|36.858105| |2.090998|2.421573|2.817489|3.007043|2.530755|4.479810|3.993792|7.409182|4.230647|0.096126|4.078359|3.436005|3.071913|3.097766|3.534814|4.147844|3.241256|2.753011|2.550609|3.620107|6.865683|8.006039|7.700656|12.288880|36.858105| |2.454390|2.936268|3.578930|3.773357|3.158866|5.996132|5.862489|11.050046|6.074003|0.127516|5.317575|4.091239|3.441355|3.398822|3.997931|5.198293|3.500452|2.866314|2.645018|3.818197|10.058084|12.446143|7.865445|7.748150|12.421048|36.858105| |2.314291|2.788888|3.302723|2.968643|3.274375|5.719846|5.643084|9.702217|7.978076|0.228767|5.461805|5.112361|3.801160|3.197096|3.274362|4.063893|2.686424|2.332154|2.332080|3.588935|18.950627|7.710928|5.689054|4.051119|3.942190|5.038761|36.858105| |2.323678|2.802479|3.218631|2.794215|3.242729|5.536729|5.055643|8.238322|7.087765|0.250119|5.249097|5.381133|3.962061|3.212283|3.182802|3.842838|2.595256|2.283748|2.323725|3.625459|11.477087|5.377234|4.530329|3.360153|3.216860|3.948337|15.760135|73.516695| |2.037367|2.374130|2.794802|2.608274|2.847348|4.531882|4.267404|8.034929|5.089696|0.141166|3.907089|3.718526|3.000199|2.615815|2.675736|3.183285|2.285139|2.022326|2.017273|3.044378|10.471811|6.451519|4.945386|3.834657|3.791910|4.504305|12.787296|14.644812|36.858105| |1.805146|2.065860|2.360977|2.206782|2.423084|3.726866|3.313919|6.101955|3.887601|0.111334|3.229478|3.241369|2.715702|2.357141|2.350611|2.691343|2.032518|1.837080|1.858659|2.807264|7.045733|4.658488|4.082607|3.295076|3.146209|3.494644|7.563648|11.726373|13.984460|36.858105| |1.667842|1.873439|2.140496|2.043876|2.222523|3.274255|2.861106|5.438686|3.159283|0.088707|2.672802|2.632277|2.272244|2.029786|2.046048|2.315155|1.811426|1.648565|1.654512|2.457513|5.472175|3.884890|3.419848|2.964540|2.917594|3.134312|5.115738|8.012885|8.326775|13.127142|36.858105| |1.727518|1.933435|2.246596|2.182158|2.347122|3.396650|3.003411|5.936206|3.183948|0.087360|2.646591|2.522239|2.176177|1.980065|2.035714|2.328970|1.818954|1.643107|1.627023|2.391394|5.529601|4.050978|3.397895|3.040353|3.136013|3.391392|4.858272|7.279851|7.745810|8.198789|14.825761|53.358707| |2.006560|2.291555|2.753790|2.676609|2.858635|4.263735|3.989286|8.273390|4.172807|0.110931|3.256583|2.969216|2.486415|2.265836|2.381907|2.823480|2.101973|1.859457|1.819096|2.678145|7.771532|5.610104|4.155559|3.608636|3.900864|4.562158|6.640878|8.872429|10.988855|7.501666|7.849910|15.838344|388.023441| |1.483497|1.642797|1.840702|1.763361|1.913603|2.766797|2.342823|4.390005|2.557862|0.072372|2.245548|2.253543|1.998055|1.796374|1.790821|1.980782|1.605339|1.482416|1.497581|2.214207|4.202297|3.020054|2.798836|2.502621|2.433224|2.537976|3.742535|6.246765|5.112261|7.296984|12.686724|10.757965|35.075335|36.858105| |1.428088|1.580427|1.747473|1.659648|1.810043|2.632097|2.198736|4.037187|2.434288|0.069794|2.177430|2.235088|1.999684|1.782074|1.751449|1.914904|1.566635|1.457962|1.487499|2.211043|3.917913|2.774041|2.646565|2.345456|2.235163|2.326272|3.502297|6.101948|4.471996|6.461654|8.066671|7.420003|28.324378|15.819734|73.516695| |1.401087|1.534421|1.718013|1.668628|1.791609|2.539945|2.130715|4.042711|2.265528|0.063386|2.003460|1.985191|1.780860|1.627895|1.636349|1.801334|1.486613|1.376772|1.381819|2.021455|3.654545|2.687847|2.488385|2.303279|2.283530|2.344735|3.111344|5.153187|4.076892|5.063848|7.938924|9.573170|31.213534|14.216066|15.089737|53.358707| |1.720133|1.965654|2.191153|2.024601|2.230341|3.463655|2.982694|5.281181|3.591840|0.105848|3.139407|3.330630|2.831882|2.401509|2.326134|2.600743|2.000017|1.831773|1.887191|2.886253|6.100272|3.981044|3.782709|3.027821|2.786749|3.039469|6.297100|11.519650|7.806325|13.951781|7.650372|7.200643|34.897700|6.209319|11.927049|5.909895|53.358707| |17.576489|8.732808|6.548165|5.383722|6.669363|6.163797|3.551964|5.966787|2.899493|0.081756|2.725603|2.394308|2.196901|2.223003|2.478341|2.783373|2.389986|2.113526|1.958827|2.715210|3.336117|2.203432|1.964747|1.833432|1.979320|2.318783|2.275534|4.086691|2.024513|1.802057|1.674695|2.365445|14.279257|1.493520|2.553924|1.924418|2.331976|0.500000| |17.574542|8.731607|6.542588|6.682671|5.362279|6.168495|3.548476|5.969266|2.873469|0.077776|2.783028|2.393713|2.228784|2.328733|2.679377|2.987261|2.677165|2.339219|2.103485|2.852654|3.315273|2.257847|2.029334|1.933239|2.115499|2.461556|2.197849|3.861166|1.960023|1.735185|1.617687|2.297856|13.947490|1.440507|2.454581|1.863869|2.236779|0.301471|0.500000| |17.556056|8.858413|5.400083|4.654439|4.650286|5.714806|3.253246|5.269047|2.777578|0.077519|2.764325|2.454040|2.317363|2.408527|2.699141|2.926032|2.669270|2.379207|2.181975|2.978606|3.160541|2.113934|1.936390|1.815727|1.932034|2.230260|2.131311|3.841816|1.879512|1.684904|1.555378|2.174899|13.029132|1.395082|2.403093|1.792559|2.209668|0.302772|0.302740|0.500000| |8.904264|17.505437|8.872925|5.502394|6.922683|10.088090|4.935977|7.301459|4.096926|0.118685|3.962912|3.404897|3.049004|3.047354|3.427817|3.981041|3.131273|2.684096|2.509299|3.576633|4.302493|2.712168|2.424491|2.179927|2.299898|2.775974|2.871135|5.281009|2.412807|2.116287|1.899732|2.636593|16.190781|1.670298|2.877969|2.108310|2.774608|0.211009|0.173052|0.216325|0.500000| |8.897887|17.506600|8.874306|6.910983|5.502068|10.124520|4.932097|7.313016|4.028048|0.107529|4.147390|3.404556|3.136225|3.337026|4.026010|4.656371|3.873849|3.195449|2.835121|3.907773|4.261098|2.816698|2.549566|2.353607|2.521603|3.031717|2.721936|4.824053|2.307494|2.011604|1.818877|2.545553|15.722618|1.598061|2.739611|2.030544|2.619980|0.173000|0.210951|0.216022|0.303292|0.500000| |6.672546|6.719149|8.781224|17.573672|6.923597|7.609223|4.638881|8.484350|3.409875|0.088586|3.106251|2.556556|2.305092|2.380310|2.798576|3.304056|2.739242|2.325832|2.079816|2.849648|4.005941|2.768148|2.377971|2.286357|2.621548|3.161138|2.583875|4.372342|2.324169|2.002154|1.880215|2.735513|17.160722|1.642577|2.752085|2.133835|2.510337|0.169073|0.227667|0.137107|0.138484|0.165548|0.500000| |4.599581|5.481120|8.805258|17.632715|6.841317|9.588593|6.693191|13.732933|4.398293|0.108279|3.761560|2.954434|2.579259|2.628487|3.140196|3.934301|2.973788|2.462384|2.206471|3.068612|5.213875|3.631790|2.951925|2.822237|3.377947|4.361782|3.214308|5.226590|2.866726|2.384262|2.224776|3.289551|21.592224|1.896643|3.138618|2.450687|2.921150|0.119676|0.136597|0.102934|0.123602|0.142539|0.301950|0.500000| |5.633344|6.971956|8.785171|17.536735|5.489070|9.516291|5.582903|9.378610|4.080811|0.100593|3.904605|3.056812|2.760542|2.941369|3.663127|4.475176|3.627660|2.930142|2.533929|3.444125|4.612929|3.246311|2.813118|2.714007|3.133821|3.867111|2.830949|4.727283|2.476674|2.109348|1.947114|2.808660|17.831051|1.688584|2.838056|2.173623|2.658400|0.130286|0.176796|0.126900|0.142461|0.211025|0.300998|0.300751|0.500000| |5.605057|6.959651|8.785150|5.489556|17.543765|9.510201|5.637381|9.368612|4.294161|0.129519|3.571378|3.072925|2.629831|2.510815|2.758450|3.313842|2.481082|2.149541|2.043253|2.949389|4.772602|2.906922|2.459504|2.190825|2.361636|2.913237|3.332336|6.101116|2.858632|2.464584|2.234131|3.157014|19.770080|1.933556|3.282945|2.443071|3.134879|0.175481|0.129597|0.126529|0.211176|0.142469|0.141330|0.139825|0.122885|0.500000| |4.594613|5.478849|8.802625|6.847250|17.628712|9.565861|6.731060|13.670154|4.547125|0.127209|3.565651|2.959653|2.510098|2.417672|2.710691|3.338704|2.457057|2.104965|1.974786|2.829249|5.342033|3.328166|2.685395|2.426551|2.723509|3.457801|3.626840|6.218432|3.205105|2.674179|2.469583|3.614054|23.607163|2.094429|3.478386|2.672665|3.273415|0.136512|0.119412|0.102886|0.142566|0.123596|0.170213|0.202906|0.139809|0.300942|0.500000| |6.660417|6.721740|8.777668|6.915153|17.572199|7.602307|4.651835|8.466160|3.477351|0.097843|2.997693|2.561345|2.257953|2.225539|2.490265|2.937245|2.329733|2.025458|1.887987|2.661076|4.062346|2.630131|2.235844|2.065698|2.285535|2.770020|2.778523|4.889649|2.488797|2.159945|2.016743|2.907883|18.088800|1.762257|2.965963|2.271075|2.717394|0.227824|0.168068|0.137087|0.166147|0.138403|0.208447|0.169747|0.141288|0.300921|0.301976|0.500000| |4.870987|7.993699|9.004337|5.957339|6.052596|26.079852|9.507806|10.910298|7.638944|0.203528|7.370290|5.288372|4.299694|4.214929|5.066863|7.076256|4.157795|3.306190|3.067401|4.528672|6.618722|3.945337|3.417980|2.937233|3.094472|3.999840|4.023743|7.190479|3.140190|2.636688|2.291483|3.176151|20.333348|1.957294|3.350471|2.432306|3.418837|0.119960|0.119384|0.119744|0.230999|0.227292|0.129142|0.146930|0.163404|0.167978|0.148691|0.130416|0.500000| |2.409921|2.979509|3.176335|2.754274|2.909404|5.686175|4.630022|6.738515|7.188663|0.222788|8.832804|17.721747|9.024769|5.622991|4.941118|5.670574|3.613933|3.163817|3.380932|5.766376|8.467712|4.771853|4.923808|3.581388|3.201678|3.788362|5.962749|12.290978|4.176396|3.698578|2.901872|3.697089|22.485672|2.473249|4.408380|2.912911|5.348101|0.063761|0.062267|0.064034|0.088830|0.084974|0.066678|0.076910|0.076896|0.084943|0.081391|0.069493|0.129989|0.500000| |2.139042|2.554829|2.557932|2.304686|2.293622|4.263878|3.199528|4.844446|4.109208|0.115064|5.584462|8.967210|17.740533|8.881841|5.619036|4.934803|4.183814|4.012586|4.916103|10.024956|5.017848|3.359476|3.825336|3.120054|2.710895|2.956662|3.441867|6.534448|2.796464|2.610618|2.189351|2.815637|16.408978|1.956945|3.529592|2.367673|3.806722|0.055695|0.055886|0.058658|0.075283|0.075767|0.057068|0.062914|0.066597|0.066045|0.062576|0.056855|0.098994|0.215325|0.500000| |3.412464|4.505868|5.020625|4.927424|3.730519|9.450164|6.812822|9.339180|6.779870|0.144753|8.973079|5.624981|4.934297|5.603145|8.878843|17.730592|7.045885|4.703706|3.988322|5.688171|6.918893|4.949917|4.596343|4.141176|4.404167|5.716025|3.795647|6.229232|3.066796|2.568426|2.255238|3.149080|20.195634|1.926056|3.276221|2.411388|3.307822|0.083589|0.093136|0.087305|0.115942|0.146425|0.108180|0.133500|0.160280|0.096839|0.101368|0.089285|0.204936|0.124085|0.107243|0.500000| |2.895513|3.450305|3.387586|3.492030|2.678569|5.272951|3.619134|5.591823|3.663376|0.088894|4.660719|3.932790|4.155401|5.617777|8.809989|6.967508|17.703083|8.972402|5.644585|6.707641|4.275371|3.227144|3.343048|3.317724|3.356643|3.640577|2.600493|4.407247|2.238381|1.976182|1.780966|2.463971|14.981273|1.574829|2.712063|1.999499|2.610042|0.070090|0.081229|0.078452|0.089248|0.116381|0.084497|0.091488|0.116898|0.070710|0.071340|0.068228|0.116641|0.089654|0.096142|0.211525|0.500000| |2.259073|2.547512|2.423257|2.433960|2.039045|3.639254|2.534478|4.028456|2.656033|0.067925|3.286245|3.157629|3.649875|5.014132|5.629774|4.129670|8.951917|17.736253|8.812138|7.759191|3.243122|2.438683|2.639101|2.641495|2.532836|2.593476|2.083248|3.617474|1.837406|1.678646|1.524229|2.077073|12.195247|1.379726|2.409444|1.756872|2.270478|0.055981|0.062746|0.063438|0.068576|0.082214|0.061747|0.064247|0.076898|0.055243|0.054347|0.053023|0.080831|0.074659|0.091385|0.110665|0.213546|0.500000| |1.966355|2.223475|2.121700|2.049129|1.846186|3.246172|2.303733|3.644719|2.537775|0.066955|3.184217|3.392075|4.322694|5.883225|5.014423|3.650779|5.678436|8.823894|17.689532|12.838782|3.142323|2.314532|2.584906|2.485548|2.269351|2.318562|2.081775|3.703861|1.829709|1.706733|1.531707|2.045624|11.801241|1.400642|2.483277|1.766053|2.370900|0.049833|0.053279|0.055526|0.062227|0.069312|0.052159|0.054690|0.062213|0.051271|0.049469|0.047703|0.073157|0.081241|0.117127|0.090577|0.124056|0.213527|0.500000| |2.114822|2.485385|2.963956|2.937112|2.818575|4.891247|4.769791|9.130491|5.604921|0.130240|4.556766|3.968053|3.259399|2.991147|3.214140|3.931200|2.759862|2.378699|2.307564|3.426479|12.639729|17.712005|9.027027|6.918643|7.315764|9.091927|7.495601|9.083273|7.851702|5.463933|4.689501|6.891079|52.674457|3.495134|5.538310|4.229899|5.921208|0.056935|0.057798|0.053962|0.067757|0.069255|0.071036|0.092070|0.080161|0.075106|0.087224|0.068794|0.092893|0.111840|0.081101|0.108505|0.076337|0.059864|0.057307|0.500000| |1.899677|2.226711|2.498738|2.423151|2.323200|4.143218|3.686568|6.292324|4.790089|0.116584|4.790769|4.801764|4.127405|3.641585|3.635638|4.102622|3.030808|2.685381|2.719249|4.182135|8.851948|8.729817|17.557899|8.633720|5.747149|5.669886|5.787251|8.354976|5.322621|4.646775|3.790879|4.921825|29.926889|3.111293|5.290162|3.686952|6.034601|0.050587|0.051508|0.049705|0.061884|0.063612|0.059342|0.072040|0.068300|0.063619|0.068524|0.057393|0.084150|0.135258|0.104859|0.103743|0.079735|0.066276|0.067393|0.223820|0.500000| |2.168244|2.606592|2.902828|2.805648|2.575078|5.010068|4.402222|7.018897|6.030575|0.135548|7.227438|6.749966|5.719100|5.201086|5.414396|6.315037|4.189389|3.526589|3.514950|5.510735|9.483498|8.767333|17.639408|8.763602|6.126709|6.638475|5.244977|7.959734|4.265522|3.605595|3.001027|4.009284|25.175680|2.512249|4.301880|3.042686|4.738862|0.056634|0.058723|0.056789|0.072003|0.076456|0.067250|0.082051|0.081283|0.070082|0.074414|0.062974|0.104464|0.164353|0.131991|0.149121|0.107462|0.083941|0.083517|0.176072|0.303720|0.500000| |1.753254|2.004311|2.244293|2.297224|2.068681|3.548281|3.057380|5.467162|3.485229|0.083978|3.520641|3.300107|3.060286|2.991960|3.149565|3.424703|2.857987|2.561732|2.493893|3.609092|5.788209|6.132271|8.691359|17.572525|8.714862|5.775024|3.686594|5.501209|3.691326|3.297250|3.042710|4.225803|25.092831|2.608459|4.336607|3.291374|4.132851|0.046481|0.048638|0.045850|0.054272|0.057797|0.057011|0.069147|0.065902|0.055255|0.061023|0.052312|0.070639|0.088042|0.078015|0.093153|0.078203|0.065326|0.062789|0.171958|0.222659|0.178353|0.500000| |1.915095|2.216179|2.447684|2.518103|2.178278|3.927997|3.305349|5.666512|3.790057|0.088871|4.175724|3.814135|3.656309|3.784441|4.133593|4.366882|3.775712|3.306657|3.143548|4.496498|5.788812|5.840198|8.750453|17.571750|8.705953|6.157643|3.479871|5.345855|3.222989|2.836526|2.559382|3.536722|21.443423|2.212435|3.739737|2.786319|3.647927|0.049948|0.053249|0.050301|0.059600|0.065448|0.061731|0.074489|0.074405|0.057967|0.063057|0.054909|0.079614|0.095867|0.090137|0.117919|0.102625|0.082944|0.077237|0.140707|0.185730|0.228521|0.304284|0.500000| |1.951586|2.224381|2.594503|2.775529|2.397574|4.021380|3.573769|6.891997|3.703836|0.087031|3.442834|2.986069|2.674649|2.656302|2.955429|3.412119|2.737413|2.379907|2.231016|3.162521|6.159813|6.801880|6.178456|8.748064|17.541566|8.843571|3.758684|5.431150|3.855854|3.234135|3.109784|4.676489|30.105480|2.588101|4.154541|3.357484|3.812419|0.051907|0.054946|0.050037|0.058848|0.063395|0.068424|0.087516|0.078698|0.062167|0.072580|0.060708|0.076506|0.079457|0.066918|0.100008|0.078617|0.061568|0.055960|0.204512|0.143457|0.134851|0.226922|0.177355|0.500000| |2.090679|2.395064|2.748861|3.018280|2.432469|4.263072|3.639876|6.690208|3.706493|0.085443|3.706542|3.125948|2.880932|3.010382|3.508831|3.991658|3.370141|2.863085|2.587875|3.579310|5.587220|5.707653|5.714243|8.639255|17.571873|8.706032|3.287457|4.945752|3.139248|2.671675|2.509427|3.661115|23.126527|2.142840|3.527699|2.770223|3.280292|0.054541|0.059483|0.053814|0.062416|0.070141|0.073641|0.093348|0.089516|0.062559|0.071752|0.061807|0.082134|0.079680|0.070711|0.121518|0.099702|0.074329|0.064125|0.144490|0.124948|0.141025|0.187547|0.222978|0.303731|0.500000| |2.710357|3.317976|4.023826|4.275935|3.358385|6.969008|6.565656|11.183982|6.620959|0.133813|6.356611|4.523480|3.828153|3.927558|4.939716|6.886992|4.286162|3.345580|3.002263|4.301963|9.131339|8.779371|6.860697|6.618171|8.829552|17.587816|4.551637|6.692814|3.864515|3.085035|2.743519|3.958076|26.795869|2.270868|3.761465|2.855203|3.774653|0.069747|0.075635|0.068367|0.085978|0.097801|0.096696|0.133697|0.127130|0.085504|0.099229|0.081291|0.130498|0.110675|0.088738|0.229715|0.126513|0.083017|0.071736|0.175766|0.138384|0.188123|0.136181|0.166975|0.174946|0.219201|0.500000| |2.547963|3.015207|3.810501|4.156105|3.439472|6.129044|6.083690|13.194312|5.514705|0.120608|4.519686|3.534102|2.988043|2.946186|3.437576|4.404733|3.087461|2.561671|2.358247|3.370844|8.842385|8.712890|5.620389|5.592946|8.657121|17.639548|4.760223|6.677031|4.449255|3.421639|3.162809|4.831081|35.232983|2.547844|4.094725|3.249505|3.958830|0.067542|0.071583|0.063389|0.078163|0.084643|0.096699|0.141419|0.114322|0.086010|0.107987|0.083973|0.108718|0.092997|0.072444|0.138532|0.090676|0.065372|0.058074|0.219225|0.125368|0.135947|0.128780|0.129220|0.219050|0.195650|0.302772|0.500000| |1.434887|1.568339|1.770462|1.735201|1.851540|2.602534|2.194155|4.229729|2.295378|0.063605|2.012615|1.964046|1.757147|1.619109|1.644123|1.820907|1.499672|1.382661|1.377535|2.005204|3.714074|2.765053|2.511658|2.355936|2.385776|2.449823|3.107701|5.046959|4.100674|4.770314|7.489886|11.055273|34.313441|9.340313|10.825206|26.092807|5.326626|0.040259|0.039121|0.037301|0.043704|0.042283|0.045345|0.052435|0.045975|0.051090|0.056827|0.048006|0.050427|0.058272|0.047300|0.050202|0.041424|0.036082|0.035861|0.089908|0.074767|0.062243|0.068603|0.057836|0.072598|0.059049|0.060362|0.070331|0.500000| |1.310963|1.426437|1.582064|1.537141|1.649277|2.322977|1.923241|3.620190|2.038702|0.057237|1.828034|1.824167|1.654267|1.517185|1.518108|1.655216|1.386900|1.293095|1.301546|1.899220|3.225316|2.369206|2.230102|2.082573|2.054506|2.093920|2.710903|4.575484|3.400242|4.142313|5.746549|7.009435|25.410564|9.465482|13.630017|26.076295|5.143068|0.036785|0.035600|0.034378|0.040058|0.038562|0.040336|0.045773|0.040971|0.046023|0.049816|0.042936|0.045631|0.054495|0.045176|0.045172|0.038029|0.033786|0.034116|0.074655|0.067284|0.056301|0.060820|0.052046|0.061267|0.051442|0.052625|0.059011|0.307244|0.500000| |1.818144|2.097343|2.324264|2.108470|2.361399|3.724572|3.188997|5.499457|3.955964|0.121185|3.458147|3.775177|3.146892|2.601486|2.490602|2.793377|2.111001|1.929139|2.001236|3.098035|6.507763|3.997891|3.800791|2.973524|2.732197|3.044430|6.962345|14.782389|7.168885|9.532751|5.759749|6.031952|31.616624|4.778674|9.121941|4.888687|26.029567|0.050253|0.047850|0.047765|0.061122|0.056982|0.053122|0.061510|0.056481|0.068652|0.070112|0.058222|0.075980|0.129177|0.086757|0.071468|0.055799|0.048470|0.051097|0.115759|0.121410|0.100570|0.080968|0.074127|0.074724|0.066080|0.078769|0.080384|0.092005|0.088826|0.500000| 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