Version2.4 2021-06-07T12:21:18Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 16-Apr-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCOc1ccc(cc1)C(=O)C2=C(C(=O)N([C@@H]2c3ccc(cc3)C(C)C)c4nnc(s4)SCC)[O-] C40000050 RHF 6-31G(d) (6D,7F) CCCOc1ccc(cc1)C(=O)C2=C(C(=O)N([C@@H]2c3ccc(cc3)C(C)C)c4nnc(s4)SCC)[O-] C01[X(C27H28N3O4S2)] 186 C1 604 CCCOc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccc(cc1)C(C)C)c1nnc(s1)SCC CCCOc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccc(cc1)C(C)C)c1nnc(s1)SCC CCCOc1ccc(cc1)C(=O)C2=C([O-])C(=O)N([C@@H]2c3ccc(cc3)C(C)C)c4sc(SCC)nn4 InChIKey=NGUVHIIMTJBZOO-JOCHJYFZSA-M InChI=1S/C27H29N3O4S2/c1-5-15-34-20-13-11-19(12-14-20)23(31)21-22(18-9-7-17(8-10-18)16(3)4)30(25(33)24(21)32)26-28-29-27(36-26)35-6-2/h7-14,16,22,32H,5-6,15H2,1-4H3/p-1/t22-/m1/s1 InChI=1/C27H29N3O4S2/c1-5-15-34-20-13-11-19(12-14-20)23(31)21-22(18-9-7-17(8-10-18)16(3)4)30(25(33)24(21)32)26-28-29-27(36-26)35-6-2/h7-14,16,22,32H,5-6,15H2,1-4H3/p-1/t22-/m1/s1/fC27H28N3O4S2/h32h/q-1 CCCOc1ccc(cc1)C(=O)C2=C(C(=O)N([C@@H]2c3ccc(cc3)C(C)C)c4nnc(s4)SCC)[O-] C01[X(C27H28N3O4S2)] 186 C01 604 CCCOc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccc(cc1)C(C)C)c1nnc(s1)SCC CCCO[C]1[CH][CH][C]([CH][CH]1)[C]([C]1[C](=O)C(=O)N([C@@H]1[C]1[CH][CH][C]([CH][CH]1)C(C)C)[C]1[N]N=C(S1)SCC)=O CCCO[C]1[CH][CH][C]([CH][CH]1)C(=O)[C]2[C@@H]([C]3[CH][CH][C]([CH][CH]3)C(C)C)N([C]4[N]N=C(SCC)S4)C(=O)C2=O InChIKey=WUNVUQDSTXBEJX-JOCHJYFZSA-N InChI=1S/C27H28N3O4S2/c1-5-15-34-20-13-11-19(12-14-20)23(31)21-22(18-9-7-17(8-10-18)16(3)4)30(25(33)24(21)32)26-28-29-27(36-26)35-6-2/h7-14,16,22H,5-6,15H2,1-4H3/t22-/m1/s1 InChI=1/C27H28N3O4S2/c1-5-15-34-20-13-11-19(12-14-20)23(31)21-22(18-9-7-17(8-10-18)16(3)4)30(25(33)24(21)32)26-28-29-27(36-26)35-6-2/h7-14,16,22H,5-6,15H2,1-4H3/t22-/m1/s1 4119.8424228248 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1.0745 0.5908 0.7381 5.6277 6.0605 0.8519 3.0231 1.2364 9.4010 4.0370 0.6888 0.5788 1.8886 0.5922 0.7177 8.4234 2.8572 18.2922 20.2200 6.1427 10.2227 4.8483 21.9090 14.1770 3.4950 27.6325 14.5900 1.9960 13.7772 1.5028 14.7709 26.3159 5.0337 1.8129 18.5859 2.1187 29.1276 23.3362 16.2030 32.1280 12.1287 2.2456 64.1384 5.6330 21.0497 21.0181 1.0414 10.2727 6.4909 0.4910 0.0068 8.3702 1.0550 0.8205 0.4167 2.3010 17.9305 9.8624 4.2127 20.1002 17.4802 0.1072 3.4362 45.4557 28.4349 33.6383 29.4714 25.9005 1.0956 32.3892 9.3914 5.6640 42.6447 42.0816 55.9469 4.5594 8.9873 8.4853 9.7675 2.0014 103.1926 239.6826 0.0430 0.7942 451.6574 45.3339 68.8669 0.0362 4.8209 501.8957 11.3430 5.5699 46.9321 253.8705 280.9890 3.3385 469.2335 1.4618 38.1838 2.9021 228.0659 18.8515 13.4584 11.5032 0.0510 1.2208 0.1583 5.1781 4.5494 4.0720 1.8974 2.5309 4.9615 50.0864 16.3380 89.1159 266.8685 199.3198 8.1004 2.4928 546.6038 62.6945 4.0534 846.5051 429.8305 12.7970 28.8383 37.9174 59.9305 61.0484 46.2008 22.0614 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0.8569 0.8554 0.8247 0.7055 0.8122 0.8219 0.8536 0.2987 0.8571 0.7678 0.2546 0.8571 0.5851 0.5864 0.3638 0.6903 0.5710 0.2347 0.2571 0.2741 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 61 62 63 64 6 6 6 8 6 6 6 6 6 6 6 8 6 6 6 8 7 6 1 6 6 6 6 6 6 6 6 6 6 7 7 6 16 16 6 6 8 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 1 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 31.97207 31.97207 12.00000 12.00000 15.99491 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 17804.2152 34736.2319 35836.8473 0.99993 0.01057 -0.00603 -0.01165 0.97453 -0.22397 0.00351 0.22402 0.97458 1 0.00486 0.00249 0.00242 0.10137 0.05196 0.05036 16.89 20.27 27.12 37.72 39.10 46.08 58.89 76.14 81.40 90.08 104.51 112.59 119.64 130.98 135.49 141.75 165.65 189.89 191.90 218.65 237.52 256.17 280.37 308.50 322.41 359.57 364.14 364.48 372.22 380.27 398.74 427.68 435.03 446.50 463.93 496.06 499.72 532.72 545.90 560.37 604.04 613.04 638.64 659.88 673.67 715.93 748.65 766.03 768.99 804.67 823.66 866.26 894.46 903.91 929.88 991.02 1000.54 1005.00 1013.24 1024.38 1081.46 1093.56 1132.82 1151.37 1160.08 1186.49 1192.53 1214.56 1228.83 1242.50 1276.16 1297.45 1303.08 1324.41 1328.36 1351.50 1360.11 1376.74 1384.12 1388.89 1416.38 1422.93 1454.22 1496.48 1530.74 1549.96 1558.26 1582.45 1584.17 1590.60 1604.57 1604.99 1623.08 1667.83 1672.53 1677.03 1698.09 1710.45 1719.40 1724.33 1734.23 1761.90 1781.71 1797.66 1808.00 1841.40 1864.13 1875.69 1876.88 1881.46 1884.10 1894.75 1931.93 1935.67 1966.74 1989.74 2005.26 2028.54 2062.45 2081.48 2082.37 2086.23 2095.97 2114.27 2130.63 2132.05 2175.70 2197.81 2232.32 2236.08 2250.32 2250.98 2256.80 2260.17 2287.56 2292.00 2345.67 2349.61 2356.95 2358.19 2359.82 2367.10 2370.22 2370.82 2377.85 2381.67 2413.28 2434.91 2435.77 2438.56 2490.45 2548.76 2551.53 2612.78 2616.28 2622.09 2792.29 2861.42 4584.68 4589.95 4590.87 4601.26 4603.95 4615.12 4628.78 4633.32 4665.04 4672.88 4683.94 4695.17 4698.83 4703.75 4704.50 4708.57 4710.01 4710.31 4720.19 4793.60 4806.04 4816.82 4853.42 4855.73 4866.66 4868.48 4887.37 4891.68 0.543375 0.576971 0.577915 0.471696 -2296.039069 -2296.005472 -2296.004528 -2296.110748 3.562636D-04 MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE CCCOc1ccc(cc1)C(=O)C2=C(C(=O)N([C@@H]2c3ccc(cc3)C(C)C)c4nnc(s4)SCC)[O-] C40000050 RHF 6-31G(d) (6D,10F) C1 522.152125 |X|Y|Z| 74.081510 69.341229 120.207011 85.155046 23 6 7 16 19 3 1 |36.858105| |12.465967|36.858105| |7.527685|12.540353|36.858105| |5.106268|8.078433|13.622313|73.516695| |3.886454|5.218575|7.986973|24.951994|36.858105| |3.143687|4.079190|5.249972|14.529589|13.672254|36.858105| |2.615306|3.196380|3.983796|9.402458|7.939318|13.845353|36.858105| |2.514662|2.963741|3.770356|8.151954|6.803565|7.885108|13.648089|36.858105| |2.854935|3.334833|4.502946|9.222763|7.947183|6.914280|8.012176|13.793294|36.858105| |3.604072|4.398868|6.709167|13.962742|13.778382|7.941070|6.887541|7.859661|13.673243|36.858105| |2.101189|2.398405|2.907463|5.973448|4.413189|5.025409|7.584191|12.543588|7.471481|4.970120|36.858105| |1.954342|2.227572|2.635253|5.428842|3.863955|4.550659|6.662222|8.204472|5.484471|4.103070|15.729645|73.516695| |1.960000|2.185698|2.620006|5.171463|3.658007|3.901248|5.150729|7.484751|6.099330|4.251463|13.242135|14.385400|36.858105| |1.724845|1.890765|2.211742|4.277565|2.899731|3.065086|3.833408|4.940417|4.321175|3.288757|7.578441|11.503416|13.551782|36.858105| |1.654064|1.786243|2.071887|3.919458|2.594497|2.664473|3.168456|3.932764|3.710040|2.955630|5.084286|7.697974|8.120954|12.386370|36.858105| |1.511191|1.614217|1.845336|3.451516|2.236054|2.283542|2.648362|3.163467|3.034717|2.512466|3.908799|6.259978|5.427627|7.714546|15.939345|73.516695| |1.801714|1.949775|2.286500|4.311077|2.873121|2.900406|3.406932|4.284899|4.187337|3.327862|5.114271|7.261240|8.181042|8.101115|13.831419|14.914964|53.358707| |2.038875|2.256384|2.714113|5.254480|3.660340|3.737055|4.581028|6.222613|5.874591|4.327392|7.289123|9.114025|12.521193|7.869926|7.996621|9.616771|17.561519|36.858105| |2.239230|2.468276|3.036919|5.765190|4.049043|3.900980|4.565385|6.335849|7.012817|5.105428|6.333040|8.061133|8.661174|5.962886|6.133149|8.113364|12.527544|17.627712|0.500000| |2.040472|2.284404|2.702806|5.335996|3.654313|3.873113|4.664903|5.554395|4.958082|4.013895|5.868186|7.979502|7.410513|5.446816|5.528671|7.552471|10.475717|12.452859|0.249297|36.858105| |2.248472|2.528449|2.998491|5.881938|3.946441|4.035909|4.476853|4.976822|4.810290|4.250607|4.591885|6.512529|5.124794|3.978911|4.083692|5.974488|7.413440|7.511587|0.205590|13.776291|36.858105| |2.163673|2.438217|2.789922|5.502041|3.520282|3.697422|3.932833|3.992459|3.773102|3.545333|3.697553|5.582365|3.911086|3.232139|3.293206|5.035613|5.541772|4.986880|0.133607|7.894110|13.714621|36.858105| |1.915330|2.152166|2.409777|4.788989|3.033985|3.318098|3.622872|3.579680|3.231663|2.995382|3.503952|5.499435|3.682248|3.163817|3.191423|4.956452|5.111547|4.378551|0.110521|6.752898|7.880551|13.755318|36.858105| |1.782216|1.996313|2.249674|4.484671|2.899959|3.232982|3.733680|3.793347|3.285274|2.914785|4.003877|6.328954|4.337299|3.790020|3.777210|5.780045|5.894276|4.986859|0.116665|7.891163|6.923254|8.012916|13.656010|36.858105| |1.829540|2.046273|2.356241|4.687673|3.127686|3.457212|4.196532|4.609905|3.904258|3.271957|5.223709|7.800779|6.207387|5.182803|5.121692|7.327316|8.289677|7.482991|0.155607|13.679776|8.012764|6.924958|7.879519|13.801127|36.858105| |1.803128|2.013789|2.187646|4.311136|2.628627|2.865018|3.007384|2.877849|2.640084|2.531848|2.795881|4.554657|2.863402|2.548586|2.566141|4.115597|3.956847|3.243975|0.084262|4.386668|4.995845|7.537588|12.518591|7.476083|4.986865|36.858105| |1.765825|1.994652|2.140236|4.297221|2.600447|2.931849|3.066460|2.811711|2.518486|2.432574|2.727756|4.581360|2.685679|2.401117|2.338713|3.761637|3.489401|2.885186|0.074801|3.719797|4.006906|5.317898|7.515843|6.049755|4.303968|12.410300|36.858105| |1.592822|1.745813|1.879464|3.628841|2.194470|2.351275|2.480647|2.432663|2.260461|2.153706|2.434226|4.015680|2.554806|2.361708|2.441998|4.019651|3.707140|2.880771|0.074393|3.716118|4.001391|5.304808|7.514292|6.058236|4.300091|12.410639|7.530920|36.858105| |1.756479|1.871097|2.169175|3.999759|2.592578|2.557776|2.876921|3.463020|3.540702|2.983397|3.818588|5.653235|5.230940|5.192273|7.880993|12.065519|19.016479|7.640101|0.197303|6.082281|5.060434|3.926196|3.549414|3.874489|4.931373|2.818616|2.425394|2.709617|36.858105| |1.888480|2.001100|2.326294|4.231035|2.713736|2.616241|2.858179|3.384514|3.593157|3.136885|3.492187|5.153925|4.452765|4.104576|5.313212|8.306966|11.155459|6.638209|0.197997|5.935872|5.699213|4.352594|3.702476|3.782879|4.555147|2.946736|2.480560|2.801619|14.913452|53.358707| |1.756664|1.829644|2.083132|3.727212|2.324659|2.231234|2.383555|2.731045|2.900191|2.632904|2.793361|4.272689|3.393975|3.259879|4.128028|7.013695|7.386482|4.501264|0.132024|4.271180|4.299784|3.627821|3.176645|3.175672|3.588273|2.661634|2.241045|2.616392|8.626959|18.928098|53.358707| |1.583171|1.644512|1.853858|3.328883|2.069141|2.011210|2.165470|2.468952|2.572099|2.320423|2.597026|4.052961|3.172303|3.207944|4.212562|7.671529|6.976202|3.979826|0.111392|3.710647|3.554154|3.089130|2.834658|2.921450|3.296538|2.420648|2.071214|2.436793|8.049583|11.779281|20.459418|36.858105| |1.526869|1.603731|1.818028|3.318026|2.096946|2.076995|2.298850|2.667804|2.703841|2.356842|2.954165|4.624504|3.790089|4.118454|6.132793|12.302865|9.455929|4.614451|0.120486|4.038889|3.539305|3.017694|2.862831|3.121158|3.697871|2.403451|2.097731|2.410046|10.868485|10.154163|10.180593|10.934400|388.023441| |1.426446|1.462801|1.618839|2.879521|1.754437|1.704205|1.806770|2.011849|2.091425|1.934348|2.095716|3.354863|2.459862|2.512661|3.120190|5.858397|4.768018|2.908891|0.081556|2.787825|2.734588|2.496901|2.340746|2.379090|2.576716|2.085895|1.808110|2.146354|4.635862|6.648670|9.641679|10.806489|44.409039|388.023441| |1.505013|1.527606|1.679180|2.947344|1.770076|1.696456|1.763452|1.939549|2.047563|1.942673|1.960473|3.129921|2.242718|2.213753|2.629858|4.734447|4.107994|2.671273|0.077111|2.628740|2.711002|2.520897|2.308617|2.260999|2.391135|2.090006|1.798118|2.135458|3.845684|6.075638|8.941689|6.924729|30.523127|74.430960|36.858105| |1.374998|1.384544|1.501389|2.625494|1.558816|1.497705|1.546349|1.679296|1.763563|1.690985|1.695591|2.746558|1.905613|1.895343|2.202882|4.007286|3.330824|2.202563|0.063122|2.178588|2.241875|2.130231|1.985201|1.943314|2.024108|1.840780|1.606802|1.899510|2.966612|4.478575|5.866046|4.613414|23.724837|49.515961|12.487899|36.858105| |1.602442|1.749769|2.019434|3.898563|2.598697|2.769008|3.416653|4.177946|3.651328|2.883295|6.164230|11.080690|7.877669|15.755237|8.019616|11.759843|7.464264|5.263580|0.121368|4.126857|3.212213|2.731321|2.729529|3.242255|4.146262|2.274123|2.189354|2.133104|4.029909|4.487195|3.745501|2.764291|24.946605|16.023522|1.983572|1.730127|73.516695| |17.533802|8.763056|6.806258|8.320798|3.727696|3.008962|2.545844|2.489188|2.856326|3.578458|2.089767|3.418535|1.980247|1.742025|1.690860|2.748541|2.532135|2.096940|0.064532|2.104321|2.350828|2.260289|1.976022|1.823194|1.870385|1.857154|1.793354|1.644078|1.834687|2.719585|2.545072|1.671584|11.318828|10.719317|1.608916|1.466948|2.857404|0.500000| |17.532675|8.762675|6.805406|8.321879|3.722852|3.004319|2.541921|2.483245|2.850388|3.574798|2.088511|3.466390|1.947288|1.723232|1.648062|2.683101|2.426131|2.005807|0.061348|1.972090|2.139690|2.031375|1.807718|1.703669|1.766707|1.690628|1.655111|1.504607|1.733819|2.521071|2.345782|1.561458|10.763044|10.017389|1.478480|1.352725|2.859615|0.301572|0.500000| |17.553032|8.787939|5.484550|7.491354|3.295759|2.786016|2.346029|2.236483|2.479994|3.029026|1.900640|3.175443|1.777517|1.579916|1.518289|2.481848|2.237020|1.842028|0.055535|1.856994|2.037617|1.989475|1.783768|1.658965|1.687380|1.702960|1.679593|1.513381|1.606730|2.341593|2.196360|1.464153|10.040317|9.468313|1.406183|1.295026|2.626274|0.301888|0.301886|0.500000| |8.824669|17.547739|8.944484|13.152088|4.924278|4.045860|3.159858|2.877478|3.156798|4.049200|2.342099|3.864723|2.145294|1.854745|1.761071|2.830373|2.629840|2.237598|0.067428|2.318966|2.609274|2.577410|2.272199|2.073316|2.091382|2.154311|2.141058|1.850896|1.861362|2.722308|2.495462|1.643553|11.343274|10.410406|1.535733|1.392622|3.043123|0.209994|0.172511|0.211739|0.500000| |8.824448|17.546710|8.943648|13.157690|4.913542|4.034876|3.152545|2.868484|3.148985|4.044173|2.340420|3.933936|2.103893|1.832304|1.713211|2.759569|2.512439|2.128566|0.063843|2.146489|2.330629|2.254039|2.027494|1.903362|1.950209|1.906918|1.917778|1.659322|1.756943|2.524448|2.307899|1.539182|10.787624|9.767857|1.421774|1.294374|3.045852|0.172513|0.209993|0.211727|0.303533|0.500000| |6.862471|8.845294|17.518455|16.537285|7.072623|4.775253|3.806796|3.735832|4.593504|6.787156|2.914349|4.724060|2.620967|2.230315|2.078098|3.299051|3.087328|2.667740|0.083314|2.576330|2.782514|2.543500|2.221855|2.114128|2.246532|2.007008|1.962779|1.747898|2.143760|3.099213|2.777705|1.829506|12.850337|11.378100|1.648756|1.476933|3.644969|0.168540|0.203228|0.140361|0.174216|0.213094|0.500000| |6.857406|8.842677|17.521193|16.540972|7.110551|4.796550|3.821594|3.757369|4.619666|6.814477|2.918467|4.606004|2.703614|2.271882|2.166266|3.423460|3.315790|2.894987|0.091885|2.895445|3.303909|3.044617|2.560403|2.357540|2.473075|2.305180|2.206967|1.978778|2.344261|3.493158|3.127529|2.014347|13.830783|12.440938|1.836015|1.629511|3.640890|0.203075|0.168383|0.140299|0.213134|0.174186|0.301270|0.500000| |3.108074|4.105443|4.869658|13.469422|8.952066|17.723364|8.894637|5.610003|4.974015|5.663668|4.094143|6.928220|3.288399|2.684066|2.362396|3.659456|3.461613|3.165710|0.090191|3.364044|3.536942|3.414955|3.154340|3.035010|3.124890|2.828480|2.989595|2.313759|2.276726|3.170360|2.754044|1.837441|13.426475|11.230611|1.578599|1.406394|4.391747|0.081410|0.081314|0.078158|0.116694|0.116421|0.120169|0.120539|0.500000| |2.327830|2.803037|3.328354|7.597464|5.646143|8.952552|17.738994|8.943317|5.690616|4.961577|7.122762|12.768135|4.865347|3.781979|3.081162|4.622293|4.388862|4.187926|0.110410|4.407484|4.093327|3.754621|3.660879|3.896045|4.287820|3.082755|3.257235|2.545249|2.712739|3.607354|3.040737|2.058654|15.719999|12.310505|1.676337|1.478840|6.155151|0.062830|0.062776|0.059033|0.077957|0.077859|0.088443|0.088625|0.213935|0.500000| |2.654263|2.981071|3.908532|7.448695|5.664519|4.974292|5.674940|8.954416|17.724343|8.946829|6.901973|9.017542|6.535985|4.732087|4.154978|5.989677|6.429884|6.436794|0.232139|4.851618|4.561113|3.509579|3.016592|3.105456|3.762522|2.467198|2.318016|2.161241|3.976111|5.437269|4.325686|2.818653|21.261601|16.069408|2.190857|1.871563|6.968651|0.074703|0.074611|0.064310|0.078018|0.077918|0.113686|0.114024|0.107898|0.124775|0.500000| |4.010010|4.674357|7.421127|12.454227|8.873173|5.632033|4.962800|5.631193|8.930970|17.752011|4.069813|6.114259|3.700788|2.980903|2.764473|4.249608|4.246271|3.873451|0.129935|3.544526|3.807683|3.209427|2.702883|2.607798|2.900131|2.321010|2.206658|2.007294|2.887212|4.207425|3.598860|2.318910|16.437350|13.866701|1.983487|1.729485|4.682429|0.112829|0.112971|0.091079|0.115365|0.115522|0.227148|0.225984|0.124156|0.107729|0.217580|0.500000| |2.472014|2.761851|3.349963|6.394025|4.282746|4.092396|4.339615|4.954819|5.298891|4.840983|4.329057|6.109170|4.774174|3.717095|3.845688|5.685401|7.024359|6.988837|0.228599|8.950953|17.727309|8.928416|5.631934|4.978985|5.676758|4.087543|3.387569|3.385931|5.021163|8.312741|6.234444|3.639264|24.795700|19.875753|2.842816|2.330863|5.373586|0.072802|0.065326|0.061419|0.078602|0.069471|0.086166|0.106024|0.097927|0.105731|0.142403|0.124055|0.500000| |2.288899|2.570895|2.898957|5.626808|3.467814|3.534607|3.562641|3.538815|3.472849|3.431073|3.187030|4.896285|3.299676|2.777044|2.834751|4.424395|4.683518|4.081466|0.114702|5.638146|8.935863|17.685851|8.926841|5.669218|4.976616|7.001508|5.013331|4.997065|3.425151|5.312838|4.631190|2.876416|19.335434|16.983999|2.488025|2.121719|4.252319|0.067159|0.058919|0.058605|0.076805|0.065174|0.072170|0.089253|0.092439|0.093343|0.089602|0.088169|0.216748|0.500000| |1.639194|1.827557|2.029724|4.034058|2.569088|2.883508|3.308857|3.299854|2.851841|2.555001|3.557132|5.883031|3.783583|3.475591|3.434971|5.420172|5.076629|4.083203|0.096575|5.638818|4.976622|5.668584|8.873738|17.695340|8.985402|6.908027|6.276305|6.291456|3.363879|4.386047|3.804683|2.643337|20.320315|15.720995|2.083991|1.819808|5.488675|0.046338|0.043633|0.042713|0.052700|0.048842|0.053266|0.058446|0.076737|0.098612|0.075232|0.063948|0.107939|0.124154|0.500000| |1.707383|1.899005|2.175362|4.310138|2.867544|3.184361|3.933884|4.383408|3.650623|3.015142|5.458256|8.509450|6.751502|6.218925|5.903363|8.379396|8.499697|6.958995|0.140657|8.914089|5.679438|4.979800|5.628228|8.960158|17.723899|4.076467|3.722892|3.712003|4.781143|5.635768|4.525758|3.173781|26.700710|17.816629|2.268673|1.938531|8.893836|0.048193|0.046173|0.043885|0.053459|0.050758|0.058402|0.062679|0.080321|0.114620|0.099512|0.074586|0.124545|0.107939|0.218002|0.500000| |1.906024|2.124695|2.288070|4.467215|2.671182|2.850145|2.895806|2.760722|2.598611|2.555537|2.610076|4.229651|2.656057|2.350704|2.377028|3.825171|3.696636|3.038035|0.081333|3.993819|4.835157|7.464739|9.014482|5.598766|4.204468|17.521935|8.953880|8.954590|2.681676|3.916713|3.586690|2.363320|16.269034|14.617685|2.108541|1.862218|3.731179|0.054938|0.049187|0.050093|0.063919|0.055365|0.057657|0.067630|0.078610|0.080703|0.067337|0.065763|0.115259|0.231109|0.139756|0.096529|0.500000| |1.658934|1.868513|2.013392|4.047642|2.478364|2.828103|3.044854|2.807737|2.467512|2.338634|2.810647|4.801977|2.769174|2.513129|2.424832|3.910100|3.548005|2.904485|0.073762|3.706592|3.761677|4.679753|6.724208|6.481492|4.538114|8.741525|17.547853|6.793924|2.429294|3.306015|2.975359|2.049381|15.073847|12.709932|1.748250|1.564688|4.112513|0.046565|0.043563|0.043820|0.055064|0.050307|0.051902|0.057236|0.079689|0.092128|0.063411|0.058710|0.087736|0.117089|0.212438|0.112888|0.173770|0.500000| |1.682647|1.885314|1.987695|3.943522|2.336392|2.595040|2.659035|2.442788|2.225774|2.180130|2.365166|4.013136|2.328868|2.113718|2.072100|3.379197|3.064203|2.486508|0.065297|3.089847|3.334374|4.274900|5.478286|4.573377|3.476962|8.766562|17.517035|6.891710|2.160210|3.018793|2.780283|1.900003|13.555390|12.010322|1.692725|1.530353|3.466571|0.047461|0.043713|0.044857|0.056487|0.050490|0.050654|0.056785|0.074412|0.077940|0.057289|0.055621|0.081028|0.117826|0.133621|0.085939|0.215184|0.301495|0.500000| |1.923159|2.210234|2.376258|4.875163|2.950591|3.407463|3.505886|3.097126|2.746918|2.687333|2.915961|4.894223|2.787844|2.440664|2.331800|3.711768|3.484955|2.961352|0.077642|3.792764|4.155292|5.426972|6.898629|5.566620|4.228531|8.765883|17.560313|5.477830|2.393015|3.344863|2.989550|2.014085|14.515555|12.441349|1.747158|1.558982|3.950740|0.053942|0.049800|0.050689|0.066410|0.059143|0.059903|0.067580|0.098436|0.104028|0.068845|0.066842|0.098700|0.144442|0.150765|0.101214|0.213666|0.301940|0.300690|0.500000| |1.589661|1.725968|1.864533|3.552234|2.147385|2.257291|2.375732|2.378647|2.250509|2.141877|2.382085|3.884892|2.552323|2.371478|2.515260|4.166936|3.882119|2.953356|0.076872|3.786302|4.144835|5.403077|6.896553|5.578433|4.222621|8.764743|5.477398|17.558278|2.924082|4.187168|3.982676|2.710456|18.610704|16.991514|2.397102|2.115405|3.777528|0.045920|0.041783|0.041853|0.050646|0.045277|0.048309|0.055071|0.060988|0.066620|0.060540|0.056032|0.098610|0.143570|0.151248|0.100741|0.213633|0.139085|0.140831|0.122601|0.500000| |1.529805|1.669484|1.772011|3.404306|2.026461|2.163534|2.246682|2.179767|2.040194|1.970996|2.164463|3.613235|2.241212|2.086416|2.143602|3.564363|3.209979|2.483688|0.065024|3.087771|3.331326|4.268337|5.477843|4.576920|3.474848|8.767081|6.890963|17.517586|2.355864|3.322383|3.154948|2.173433|15.174763|13.921810|1.968224|1.779601|3.394657|0.043806|0.040045|0.040677|0.049395|0.044208|0.045724|0.051598|0.059914|0.064117|0.054131|0.051352|0.081003|0.117562|0.133800|0.085761|0.215235|0.168781|0.207242|0.140839|0.300702|0.500000| |1.507341|1.651526|1.783460|3.454377|2.106882|2.279368|2.450346|2.416349|2.213877|2.078114|2.480507|4.138475|2.620082|2.465710|2.545614|4.216216|3.788141|2.899205|0.073341|3.701890|3.756045|4.669311|6.720950|6.490105|4.532097|8.740930|6.795146|17.547153|2.729650|3.733872|3.469110|2.421181|17.502054|15.149239|2.070566|1.845995|3.989544|0.042987|0.039815|0.039777|0.048242|0.043905|0.046475|0.051771|0.062149|0.070850|0.059064|0.053594|0.087681|0.116788|0.213168|0.112450|0.173770|0.200315|0.168860|0.139098|0.301883|0.301554|0.500000| |1.603190|1.617911|1.788735|3.109203|1.866487|1.766583|1.827073|2.023979|2.173497|2.072123|2.025048|3.212553|2.311523|2.257988|2.663557|4.733692|4.201423|2.765796|0.081789|2.669828|2.776622|2.536058|2.280172|2.223448|2.376452|2.047644|1.771619|2.052050|3.927027|6.403789|9.388611|6.596847|29.658609|56.634150|17.636124|8.792794|3.580868|0.047860|0.043889|0.041397|0.044952|0.041635|0.048986|0.054706|0.045416|0.047804|0.065217|0.059468|0.082869|0.069888|0.056470|0.062424|0.057699|0.047690|0.046202|0.048294|0.063329|0.052536|0.055051|0.500000| |1.550396|1.582333|1.737703|3.064892|1.839564|1.769315|1.835487|2.005166|2.105023|2.004171|2.013996|3.203579|2.297860|2.238225|2.642126|4.679748|4.202253|2.777685|0.079848|2.820038|2.970335|2.806678|2.556047|2.462900|2.566975|2.319060|1.960363|2.385558|3.926725|6.411741|9.426486|6.605850|29.595042|56.642260|17.637807|8.792680|3.541191|0.046143|0.042002|0.040257|0.044512|0.040782|0.046965|0.052990|0.045831|0.048517|0.061885|0.056498|0.086088|0.077528|0.062668|0.066617|0.065400|0.052571|0.051238|0.052608|0.075705|0.060818|0.063559|0.303162|0.500000| |1.300496|1.315242|1.420362|2.500864|1.484751|1.439181|1.490413|1.608893|1.670453|1.597644|1.634799|2.663810|1.834806|1.837041|2.133423|3.909513|3.192501|2.105862|0.059490|2.108180|2.155820|2.075989|1.965683|1.931843|1.992896|1.840336|1.605978|1.929378|2.813598|4.155906|5.304097|4.274401|22.885002|46.064670|8.773049|17.560648|2.997167|0.038372|0.035468|0.034150|0.036869|0.034286|0.038717|0.042592|0.037706|0.039869|0.048919|0.045043|0.061306|0.057245|0.050711|0.053233|0.051475|0.043589|0.042650|0.042966|0.059939|0.050383|0.052327|0.172362|0.209885|0.500000| |1.331372|1.335570|1.447984|2.524867|1.498862|1.437666|1.485836|1.618600|1.704265|1.631638|1.640712|2.668968|1.841766|1.847988|2.144732|3.941047|3.192098|2.100593|0.060284|2.042681|2.077648|1.958194|1.830706|1.808795|1.899059|1.694648|1.496455|1.738547|2.813670|4.153601|5.297080|4.271901|22.914725|46.061953|8.772063|17.560083|3.021274|0.039349|0.036590|0.034841|0.037118|0.034791|0.039833|0.043472|0.037472|0.039467|0.050526|0.046515|0.060101|0.053931|0.047232|0.051004|0.047433|0.040664|0.039592|0.040502|0.053168|0.045334|0.047233|0.209852|0.172353|0.301022|0.500000| 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