Version2.0 2020-01-09T15:35:51Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 02-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)N(CC(=O)N1CCc2c(ccs2)[C@H]1c3ccc(cc3)C(C)(C)C)S(=O)(=O)c4ccc(cc4)F C35770982 RHF 6-31G(d) (6D,7F) CC(C)N(CC(=O)N1CCc2c(ccs2)[C@H]1c3ccc(cc3)C(C)(C)C)S(=O)(=O)c4ccc(cc4)F C01[X(C28H33F1N2O3S2)] 201 C1 614 Fc1ccc(cc1)S(=O)(=O)N(C(C)C)CC(=O)N1CCc2c([C@H]1c1ccc(cc1)C(C)(C)C)ccs2 Fc1ccc(cc1)S(=O)(=O)N(C(C)C)CC(=O)N1CCc2c([C@H]1c1ccc(cc1)C(C)(C)C)ccs2 CC(C)N(CC(=O)N1CCc2sccc2[C@H]1c3ccc(cc3)C(C)(C)C)[S](=O)(=O)c4ccc(F)cc4 InChIKey=KIBGAYZDUDWKMX-HHHXNRCGSA-N InChI=1S/C28H33FN2O3S2/c1-19(2)31(36(33,34)23-12-10-22(29)11-13-23)18-26(32)30-16-14-25-24(15-17-35-25)27(30)20-6-8-21(9-7-20)28(3,4)5/h6-13,15,17,19,27H,14,16,18H2,1-5H3/t27-/m1/s1 InChI=1/C28H33FN2O3S2/c1-19(2)31(36(33,34)23-12-10-22(29)11-13-23)18-26(32)30-16-14-25-24(15-17-35-25)27(30)20-6-8-21(9-7-20)28(3,4)5/h6-13,15,17,19,27H,14,16,18H2,1-5H3/t27-/m1/s1 CC(C)N(CC(=O)N1CCc2c(ccs2)[C@H]1c3ccc(cc3)C(C)(C)C)S(=O)(=O)c4ccc(cc4)F C01[X(C28H33F1N2O3S2)] 201 C01 614 Fc1ccc(cc1)S(=O)(=O)N(C(C)C)CC(=O)N1CCc2c([C@H]1c1ccc(cc1)C(C)(C)C)ccs2 Fc1ccc(cc1)[S@](=O)(N(C(C)C)CC(=O)N1CCc2c([C@H]1c1ccc(cc1)C(C)(C)C)ccs2)O CC(C)N(CC(=O)N1CCc2sccc2[C@H]1c3ccc(cc3)C(C)(C)C)[S](O)(=O)c4ccc(F)cc4 InChIKey=WAAICRADCCTUNK-HHHXNRCGSA-N InChI=1S/C28H34FN2O3S2/c1-19(2)31(36(33,34)23-12-10-22(29)11-13-23)18-26(32)30-16-14-25-24(15-17-35-25)27(30)20-6-8-21(9-7-20)28(3,4)5/h6-13,15,17,19,27H,14,16,18H2,1-5H3,(H,33,34)/t27-/m1/s1 InChI=1/C28H34FN2O3S2/c1-19(2)31(36(33,34)23-12-10-22(29)11-13-23)18-26(32)30-16-14-25-24(15-17-35-25)27(30)20-6-8-21(9-7-20)28(3,4)5/h6-13,15,17,19,27H,14,16,18H2,1-5H3,(H,33,34)/t27-/m1/s1/f/h33H 4369.6776236621 -2307.3915654 1-A 25414.9672 140 474 614 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2.4660 0.9609 2.9402 1.3866 0.6253 2.8875 2.8885 0.8039 0.8915 1.1401 1.1644 2.7917 1.5107 6.9120 6.7830 3.7920 1.5139 20.2618 2.6070 0.8240 2.9981 1.5754 5.6619 2.1724 25.2622 4.8583 7.4193 12.8340 25.3400 2.9241 5.3895 1.9527 1.0758 1.5171 4.4695 9.7765 1.0246 8.1432 5.0654 2.4544 3.3304 2.6106 0.0462 0.2188 2.6346 4.4526 0.1999 0.1754 0.0551 0.3727 3.7560 3.1219 4.0748 2.4785 2.9252 2.3510 1.3212 1.4354 11.9317 5.3543 14.2588 5.5732 9.3477 14.6686 3.1248 4.0147 1.1240 7.9451 5.0655 5.2797 4.7000 4.5312 5.2607 7.8783 3.1711 4.7944 4.4175 2.1503 3.0458 6.5300 1.1271 5.7266 3.6014 3.1590 0.3568 3.0081 2.2974 5.6494 4.4280 1.5320 1.6540 2.1815 0.3310 2.2951 8.7281 5.9818 0.6578 0.8058 5.4480 6.8538 25.3258 12.5704 17.2309 14.5559 19.9214 0.3373 6.2299 19.3586 14.1928 18.3447 57.4055 25.8247 2.5396 1.1461 0.1070 2.5482 6.7172 7.4686 30.4952 78.9085 7.9353 88.6327 1.5338 12.7884 3.6559 57.0955 327.7649 176.1751 34.2548 99.4803 15.1835 21.9273 82.5024 24.9295 41.4605 224.2769 53.7480 38.2424 67.4184 71.0348 29.5397 98.3549 35.4582 27.0141 8.3713 64.4008 94.0512 45.1489 56.1715 77.0699 109.6923 101.0872 75.8372 157.8118 0.7411 0.7376 0.7494 0.7489 0.7497 0.7461 0.7399 0.7497 0.7466 0.7430 0.6006 0.6438 0.7315 0.6489 0.6392 0.3484 0.4933 0.2981 0.0828 0.6842 0.7420 0.4197 0.1589 0.2464 0.6234 0.4196 0.4445 0.5485 0.6409 0.4474 0.4405 0.2226 0.5614 0.2526 0.7310 0.7314 0.7494 0.5075 0.7246 0.7500 0.6384 0.7115 0.2592 0.3222 0.1787 0.3708 0.7129 0.5730 0.1351 0.4349 0.5750 0.7368 0.5478 0.2047 0.7443 0.6256 0.5811 0.4900 0.5997 0.7500 0.7318 0.6155 0.1594 0.1287 0.0226 0.4165 0.4416 0.6029 0.6592 0.0461 0.7500 0.0752 0.0364 0.1825 0.1006 0.3526 0.7500 0.6200 0.7363 0.5453 0.6925 0.5804 0.7489 0.7009 0.6985 0.7288 0.7496 0.7335 0.1559 0.5865 0.7162 0.6680 0.6391 0.5806 0.2834 0.6079 0.3790 0.6666 0.6587 0.7500 0.1287 0.4181 0.5508 0.4723 0.2452 0.6647 0.4458 0.0934 0.7308 0.3003 0.0199 0.7350 0.7496 0.4102 0.1974 0.4655 0.3068 0.4933 0.7482 0.3424 0.7475 0.4380 0.2039 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0.5880 0.6127 0.7522 0.7946 0.0881 0.8571 0.1399 0.0702 0.3087 0.1827 0.5214 0.8571 0.7654 0.8481 0.7057 0.8183 0.7345 0.8564 0.8241 0.8225 0.8432 0.8569 0.8463 0.2698 0.7394 0.8346 0.8010 0.7799 0.7346 0.4416 0.7562 0.5497 0.7999 0.7942 0.8571 0.2280 0.5896 0.7103 0.6416 0.3939 0.7986 0.6167 0.1708 0.8445 0.4619 0.0390 0.8473 0.8569 0.5817 0.3297 0.6353 0.4696 0.6607 0.8560 0.5101 0.8555 0.6092 0.3387 0.2394 0.8420 0.0183 0.8173 0.8178 0.8271 0.8469 0.8282 0.8496 0.8570 0.8046 0.4359 0.8423 0.8251 0.8536 0.6806 0.8363 0.7178 0.8557 0.8555 0.8214 0.8403 0.8571 0.8070 0.8087 0.8562 0.8032 0.8567 0.8564 0.8357 0.8539 0.8570 0.8571 0.8562 0.4475 0.3511 0.3158 0.6027 0.6708 0.7897 0.8509 0.4791 0.7397 0.6200 0.4809 0.3171 0.8493 0.3881 0.3739 0.2747 0.0704 0.0772 0.3690 0.5953 0.8546 0.8542 0.8566 0.6627 0.8378 0.8105 0.2567 0.8571 0.8549 0.8213 0.2159 0.4774 0.5294 0.7757 0.3388 0.8141 0.2667 0.7466 0.6501 0.3003 0.6164 0.2474 0.2624 0.4106 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 65 66 67 68 69 6 6 6 7 6 6 8 7 6 6 6 6 6 6 16 6 1 6 6 6 6 6 6 6 6 6 6 16 8 8 6 6 6 6 6 6 9 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 1 1 1 1 1 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 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 12379.9684 36198.6424 44556.5508 0.99978 -0.02096 -0.00253 0.02095 0.99977 -0.00410 0.00261 0.00405 0.99999 1 0.00700 0.00239 0.00194 0.14578 0.04986 0.04050 11.40 23.85 25.72 32.61 42.78 55.04 61.46 76.95 85.61 87.54 100.20 111.08 156.77 180.73 203.52 227.54 230.12 254.46 283.15 293.48 303.24 353.06 359.80 367.77 404.65 411.52 415.30 427.36 430.63 438.12 465.12 481.28 488.10 508.59 513.25 530.22 534.55 548.67 563.41 578.23 597.62 653.87 659.34 665.71 675.35 686.46 707.15 716.66 725.57 772.75 789.47 815.02 818.50 836.18 875.02 877.87 893.56 926.95 931.67 955.09 995.91 1010.82 1030.16 1059.93 1073.04 1116.59 1132.42 1145.36 1183.87 1213.99 1226.70 1273.32 1298.46 1306.68 1309.07 1334.20 1337.46 1343.33 1356.99 1367.45 1371.39 1421.23 1454.40 1455.83 1467.41 1480.22 1490.39 1494.15 1503.83 1511.36 1556.55 1559.08 1562.43 1581.00 1599.65 1601.68 1604.42 1640.46 1652.20 1660.23 1680.71 1689.66 1708.03 1718.92 1732.49 1740.22 1746.59 1767.69 1793.67 1800.86 1815.13 1827.44 1845.21 1871.50 1883.46 1896.38 1902.05 1911.00 1915.08 1937.32 1942.22 1961.70 1963.95 2007.10 2009.27 2038.51 2063.27 2068.06 2105.21 2111.55 2120.48 2124.23 2133.61 2162.60 2184.90 2224.52 2235.12 2236.39 2242.26 2244.16 2246.54 2253.54 2273.19 2275.95 2281.10 2289.30 2335.38 2344.25 2346.75 2350.62 2351.50 2357.54 2358.23 2372.40 2375.69 2378.41 2384.66 2388.15 2396.54 2400.03 2422.80 2439.28 2542.82 2573.92 2599.80 2601.07 2622.90 2824.37 4602.04 4604.10 4604.87 4614.52 4618.98 4619.97 4624.24 4673.38 4681.89 4689.39 4690.12 4690.45 4693.44 4705.68 4706.60 4711.74 4716.00 4721.20 4725.58 4738.55 4765.78 4792.54 4802.42 4840.81 4842.42 4870.07 4888.19 4890.24 4895.49 4896.78 4909.85 4926.96 4954.53 0.608801 0.641464 0.642408 0.539928 -2306.782764 -2306.750102 -2306.749158 -2306.851638 3.437196D-04 MUNgauss RevisionA2.0 retrievium 09-Jan-2020 DUDE CC(C)N(CC(=O)N1CCc2c(ccs2)[C@H]1c3ccc(cc3)C(C)(C)C)S(=O)(=O)c4ccc(cc4)F C35770982 RHF 6-31G(d) (6D,10F) C1 528.191665 |X|Y|Z| 134.883157 76.692541 36.602052 72.344485 25 6 7 16 21 2 2 |36.858105| |12.473841|36.858105| |7.501596|12.453352|36.858105| |7.589612|12.888078|7.704728|53.358707| |6.106384|7.470177|6.048218|17.904826|36.858105| |5.690898|5.573905|4.412700|10.366745|12.423919|36.858105| |6.076506|5.480742|4.064104|9.447129|8.024619|15.943097|73.516695| |4.305269|4.129653|3.611689|6.923021|7.670646|13.882764|15.060556|53.358707| |3.515117|3.592465|3.367488|6.026937|6.640690|7.757241|9.585520|17.706273|36.858105| |2.934373|2.906551|2.817002|4.541647|4.463219|5.081847|7.157284|10.438898|12.498838|36.858105| |2.686585|2.589565|2.443764|3.995475|3.725089|4.554632|6.925557|9.192302|7.794625|12.740182|36.858105| |2.890325|2.716152|2.476442|4.201649|3.857786|5.154142|8.243970|10.496457|6.838906|7.655945|14.202782|36.858105| |2.461047|2.303342|2.106777|3.486033|3.032784|3.852508|6.597640|6.758951|4.551360|5.090740|8.226092|13.207498|36.858105| |2.150039|2.042111|1.910200|3.063501|2.642784|3.176256|5.345762|5.441138|3.999840|4.821149|7.711685|8.227490|14.203220|36.858105| |2.166200|2.096099|2.007420|3.159910|2.792594|3.232270|5.182369|5.708047|4.695204|6.631840|10.992433|7.449680|7.451408|11.005540|388.023441| |3.673293|3.361211|2.930877|5.303465|4.998078|7.967475|12.869730|17.534356|7.466935|6.385407|7.571985|12.604418|7.311889|5.083632|33.661472|36.858105| |3.536905|3.283102|2.793065|5.282272|4.744830|7.491472|13.933247|12.435046|6.054574|5.001423|5.856469|8.986992|6.740328|4.681019|29.402709|17.587653|0.500000| |3.930270|3.333089|2.900848|4.886030|4.287418|6.277702|11.532926|10.430013|5.109489|4.811800|5.466926|7.659172|5.980775|4.378396|28.105408|12.464246|0.249230|36.858105| |3.802326|3.152946|2.682816|4.514196|3.683797|5.113951|10.719546|7.272436|3.868287|3.598515|4.050835|5.399291|4.965532|3.735211|22.962263|7.516217|0.206001|13.736907|36.858105| |3.568058|2.886383|2.504412|3.939421|3.097457|3.949466|8.040525|5.472869|3.129410|3.005828|3.303365|4.075168|3.930339|3.171473|19.782066|4.997248|0.133974|7.904746|13.777846|36.858105| |3.454097|2.777357|2.495099|3.694236|2.924966|3.572222|6.841059|5.070671|3.005873|2.989207|3.217558|3.770193|3.585793|3.023910|19.527396|4.370944|0.110368|6.730281|7.852227|13.665295|36.858105| |3.570298|2.911137|2.677928|3.907578|3.218494|3.936362|7.091430|5.904162|3.509561|3.603738|3.826315|4.372236|3.938791|3.349001|22.490034|4.984103|0.116630|7.891430|6.928546|8.032358|13.693853|36.858105| |3.799543|3.181830|2.896623|4.462911|3.890475|5.084449|8.726218|8.398070|4.672015|4.800896|5.171445|6.176781|4.998169|4.045748|27.606980|7.493226|0.155726|13.757657|8.028045|6.942638|7.861125|13.742424|36.858105| |2.979160|2.427597|2.224006|3.157793|2.429215|2.821183|5.371070|3.919299|2.433409|2.437077|2.583465|2.911515|2.847142|2.506710|16.360149|3.231102|0.084033|4.361089|4.976484|7.495226|12.385632|7.392610|4.945122|36.858105| 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|4.077927|4.980764|3.956604|10.570154|6.983066|6.036543|10.528006|6.192757|4.200339|3.147918|2.899313|3.091542|2.635426|2.316759|16.680828|3.762587|0.113795|3.199437|3.038671|2.578826|2.333187|2.412106|2.774716|2.005952|1.827762|1.836100|2.024534|94.580750|73.516695| |5.347601|6.358776|4.353847|10.258293|5.211571|4.847194|10.047342|4.916107|3.114435|2.515576|2.381651|2.596086|2.287663|2.002367|14.042155|3.209013|0.096018|3.047389|3.097972|2.756020|2.471677|2.454243|2.684573|2.171990|1.953494|1.956772|2.296917|94.818970|13.578846|73.516695| |4.076329|5.726869|4.851278|9.617562|4.992056|3.907274|6.868450|4.263824|2.987364|2.420655|2.197882|2.275086|1.992896|1.803905|13.148761|2.658000|0.076381|2.450259|2.366844|2.134664|1.999512|2.054753|2.258002|1.785491|1.615599|1.669134|1.850318|76.307837|13.048890|13.203353|36.858105| |3.432708|4.650180|4.439144|7.821118|4.680773|3.579803|5.994860|4.089844|3.017299|2.456836|2.191050|2.215000|1.935540|1.777990|13.203220|2.519551|0.071452|2.283763|2.163836|1.950387|1.849232|1.927368|2.131568|1.654101|1.504395|1.565656|1.690524|49.411337|11.186282|8.813556|13.701845|36.858105| |2.879279|3.726198|3.771156|5.679133|3.557275|2.856197|4.833132|3.383293|2.523483|2.130551|1.913736|1.918784|1.703316|1.584870|11.789085|2.136028|0.060259|1.966229|1.875558|1.718283|1.644519|1.708315|1.861810|1.493176|1.366283|1.425778|1.530000|33.621298|7.763315|6.830074|7.942219|13.808821|36.858105| |2.764362|3.504962|3.509736|5.014482|3.068638|2.550972|4.435405|3.020148|2.205297|1.893050|1.726699|1.747308|1.569722|1.459506|10.734747|1.947588|0.055147|1.828473|1.772101|1.645095|1.574744|1.617109|1.736411|1.446291|1.325794|1.379753|1.499068|30.040550|6.616206|6.652415|6.967116|8.024612|13.777913|36.858105| |3.049973|3.871245|3.677213|5.361665|3.133543|2.649050|4.732792|3.076268|2.186022|1.870998|1.725425|1.771285|1.595818|1.470442|10.681757|2.002596|0.057124|1.904125|1.872212|1.745640|1.659385|1.684954|1.796906|1.527379|1.396500|1.445190|1.602405|33.574161|6.901327|7.969468|7.942830|6.848478|7.874796|13.842716|36.858105| |3.736360|4.947302|4.291841|7.062579|3.828704|3.199801|5.814081|3.583074|2.487281|2.082796|1.922364|1.998268|1.783531|1.622092|11.710242|2.310661|0.066455|2.190029|2.160412|1.991931|1.871559|1.895311|2.037418|1.701740|1.545678|1.592163|1.790394|49.389650|9.002564|11.812974|13.757423|7.905995|6.844913|8.021294|13.741065|36.858105| |2.357713|2.876564|2.953070|4.023282|2.556899|2.176211|3.783098|2.634719|1.940169|1.699495|1.557384|1.566809|1.421029|1.333082|9.819992|1.721212|0.048551|1.626323|1.579104|1.479237|1.425344|1.462301|1.557843|1.321644|1.218305|1.269360|1.368583|23.218650|5.288497|5.309890|4.693031|5.325212|8.184439|14.377959|8.187772|5.317725|97.533100| |17.542762|8.879766|6.906254|7.559801|4.608800|4.316089|8.124928|4.777542|2.974281|2.576362|2.378749|2.533542|2.205414|1.953434|13.981951|3.105348|0.083068|3.387020|3.345261|3.288740|3.272982|3.328735|3.382480|2.945870|2.425269|2.753949|3.273210|30.132055|6.007497|7.965130|3.605765|3.076881|2.674929|2.632012|2.923732|3.475422|5.137325|0.500000| |17.641972|8.815031|5.479128|9.453394|5.640446|5.890488|12.807363|5.914920|3.427485|2.853833|2.693602|2.982266|2.569488|2.210347|15.476982|3.882697|0.107525|4.209784|4.299703|3.989244|3.670857|3.636442|3.861621|3.129130|2.612532|2.772216|3.421390|38.919285|7.624612|11.043030|4.010363|3.294651|2.752171|2.663141|2.982749|3.716523|5.108322|0.299768|0.500000| |17.551218|8.747749|6.765424|9.139529|6.528191|6.432940|11.356255|6.863317|4.004851|3.362146|3.035535|3.254410|2.708293|2.354792|17.035558|4.196706|0.107301|4.621785|4.237493|3.942323|3.938558|4.275450|4.652052|3.284080|2.657377|3.051489|3.420810|32.208330|6.795510|7.815107|3.569993|3.153687|2.661559|2.509120|2.689871|3.203939|4.880428|0.302135|0.301711|0.500000| |8.995803|17.628061|8.988679|12.639173|5.609243|4.515946|8.318349|4.712144|3.059693|2.526443|2.297091|2.419307|2.098461|1.870443|13.512390|2.940378|0.081688|2.923454|2.854301|2.651545|2.526400|2.583489|2.767127|2.255519|1.960685|2.101767|2.414559|52.226159|8.554810|13.175288|6.532746|4.858746|3.963384|3.910163|4.591365|6.188742|7.095603|0.217673|0.215038|0.174154|0.500000| |6.781628|8.722769|17.549678|9.194833|6.408559|4.666202|7.269670|5.402452|3.767479|3.173380|2.679330|2.670087|2.236894|2.035454|15.460452|3.140096|0.080878|3.107215|2.786518|2.591725|2.629897|2.906965|3.187170|2.319321|1.977313|2.273933|2.364716|31.062805|6.580856|6.687085|4.068293|3.909188|3.349152|3.051511|3.108015|3.543292|5.911519|0.169878|0.139035|0.199616|0.173936|0.500000| |5.471806|8.785536|17.572382|9.674999|5.580518|3.975072|6.456770|4.510036|3.211719|2.682688|2.317543|2.322617|1.988603|1.820321|13.692448|2.695523|0.072173|2.601105|2.410463|2.237340|2.212761|2.365192|2.570515|1.985167|1.735392|1.923343|2.051187|36.201763|7.225241|7.504301|5.571205|5.404159|4.625056|4.191485|4.235120|4.813307|7.780427|0.141068|0.122901|0.138905|0.213952|0.300728|0.500000| |6.853945|8.846071|17.556438|7.615086|4.574978|3.663629|6.220216|4.213275|2.877947|2.490983|2.201219|2.236612|1.936425|1.765619|13.100877|2.611427|0.069308|2.653398|2.500701|2.395591|2.416981|2.562882|2.689995|2.203855|1.886942|2.152172|2.330256|29.355861|5.885957|6.842199|4.120961|3.750255|3.354604|3.262023|3.475048|3.922295|6.345497|0.207094|0.140721|0.167676|0.217800|0.303018|0.300871|0.500000| |4.585358|5.647346|5.016674|12.525050|17.660751|8.870962|11.071699|9.322644|7.092717|4.587336|3.751621|3.766010|2.978121|2.641015|20.209266|4.596898|0.123812|3.760552|3.247958|2.737257|2.583243|2.832414|3.409601|2.174428|1.936131|2.040710|2.136760|48.332219|13.957315|8.363581|5.105131|5.195434|3.856702|3.192455|3.154540|3.778571|5.974870|0.102755|0.120833|0.132657|0.129373|0.146087|0.140097|0.108658|0.500000| |6.160265|7.264547|6.960961|12.625245|17.613781|8.876563|10.997878|9.516446|6.522511|4.665195|3.720414|3.714607|2.915570|2.585433|19.890635|4.622098|0.115767|4.159980|3.490780|3.020608|2.959980|3.355169|4.036494|2.472219|2.130287|2.355865|2.431943|38.244053|9.004343|7.532546|4.274021|4.155457|3.316622|2.885437|2.909051|3.431730|5.514053|0.133242|0.145361|0.199761|0.145749|0.238181|0.170220|0.142513|0.304111|0.500000| |3.149459|3.299726|3.063340|5.672975|5.893730|6.632858|8.831742|12.298351|17.518468|8.910655|6.914386|6.246868|4.444333|3.961913|32.549451|6.446946|0.163920|4.372179|3.514089|2.847506|2.680727|3.022539|3.863559|2.208171|2.020773|2.074853|2.066952|26.510465|8.038169|5.526474|3.034502|3.110573|2.591746|2.242665|2.206512|2.504409|4.436102|0.074691|0.086943|0.095808|0.080263|0.092207|0.083261|0.073095|0.193213|0.149084|0.500000| |3.728064|3.973171|3.882000|6.709210|7.804743|7.246903|8.871329|12.458017|17.655300|8.957688|5.648985|4.997649|3.641239|3.298207|27.516954|5.557467|0.131478|4.323478|3.406269|2.858082|2.797560|3.260329|4.159647|2.311642|2.054919|2.219137|2.178118|27.646079|7.636828|5.656912|3.230825|3.335388|2.772583|2.386895|2.339153|2.652130|4.703469|0.087544|0.097330|0.118288|0.092072|0.124519|0.103849|0.089913|0.241366|0.236909|0.302388|0.500000| |2.601837|2.639415|2.611101|4.116415|3.923854|4.173075|6.037656|7.628716|8.924643|17.559163|8.878111|5.720913|4.305015|4.353762|45.254432|4.796865|0.112822|3.786199|2.999467|2.569229|2.559872|3.011242|3.786351|2.147365|1.973193|2.099089|1.956042|18.826184|5.228358|4.116368|2.310506|2.395982|2.103860|1.856897|1.811605|1.990409|3.779406|0.064333|0.069981|0.081034|0.064610|0.081199|0.070527|0.064413|0.116804|0.113801|0.221830|0.213253|0.500000| |3.037175|2.952356|2.926780|4.447206|4.298597|4.757980|6.792758|9.183337|8.828780|17.532044|8.899319|6.292468|4.476921|4.270536|40.208803|5.657695|0.121745|4.813896|3.565625|3.070123|3.169295|3.976975|5.295900|2.586438|2.305453|2.558144|2.312455|19.369402|5.144869|4.309075|2.333571|2.356653|2.061923|1.847131|1.830670|2.029744|3.745965|0.074844|0.080486|0.099055|0.070608|0.093795|0.076255|0.072505|0.117467|0.132255|0.174316|0.219964|0.302750|0.500000| |2.431541|2.249921|2.031071|3.376627|2.859278|3.651098|6.565808|6.016810|3.873641|4.069091|5.728284|8.560879|17.744132|8.928294|37.675821|6.566251|0.187091|5.938668|5.517119|4.333342|3.768168|3.915032|4.735217|2.993584|3.005164|2.634246|2.586020|16.817288|4.582240|4.096887|1.954778|1.875469|1.653349|1.537245|1.576038|1.766287|3.131752|0.060794|0.071771|0.073401|0.057545|0.059170|0.053123|0.052220|0.077155|0.075478|0.106059|0.088807|0.097538|0.102538|0.500000| |1.934089|1.839283|1.727208|2.731542|2.306953|2.714310|4.647726|4.459029|3.273125|3.828110|5.419683|5.680714|8.785057|17.789825|55.248094|4.027972|0.106820|3.648507|3.274932|2.878318|2.754452|2.974184|3.425799|2.348779|2.383050|2.207139|2.036964|13.563473|3.695720|3.244337|1.649321|1.626248|1.463101|1.355682|1.366162|1.497274|2.803046|0.049332|0.055326|0.058238|0.047264|0.050783|0.045896|0.044708|0.064122|0.062731|0.091054|0.077436|0.099535|0.096913|0.204051|0.500000| |3.624995|3.095783|2.588423|4.541601|3.631238|5.052242|11.290941|6.854783|3.704284|3.348072|3.776727|5.052241|4.804939|3.599025|21.768696|6.986165|0.229153|8.926746|17.719972|8.955078|5.619342|4.981604|5.683140|4.080405|3.785758|3.210002|3.797538|22.583635|5.783838|5.906298|2.452459|2.222070|1.917406|1.814575|1.927134|2.239043|3.625639|0.088114|0.117115|0.107467|0.079355|0.073313|0.065470|0.066740|0.090443|0.092341|0.097242|0.090294|0.079034|0.089419|0.154739|0.088718|0.500000| |3.277902|2.682307|2.319176|3.636074|2.776990|3.436740|7.118313|4.628410|2.724131|2.600978|2.843218|3.443344|3.424871|2.824965|17.521757|4.098601|0.115363|5.656585|9.011806|17.725741|8.882646|5.675617|4.989346|6.969398|6.532569|4.502813|6.530609|17.780621|4.332502|4.767456|2.047544|1.858673|1.648374|1.593207|1.702165|1.937871|3.233779|0.085537|0.103518|0.096736|0.070034|0.065570|0.058012|0.062234|0.068936|0.074465|0.070380|0.069812|0.063035|0.073033|0.106927|0.072820|0.218944|0.500000| |3.277393|2.716479|2.580484|3.590509|2.938500|3.422670|6.011625|5.120147|3.212568|3.391298|3.505360|3.784464|3.442444|3.065820|21.282480|4.092174|0.096723|5.657453|4.984927|5.673068|8.879978|17.759037|9.013851|6.801830|4.883354|7.593280|4.893309|16.029791|3.907651|3.965559|1.924802|1.823134|1.632482|1.547957|1.604061|1.784945|3.171016|0.087069|0.090035|0.108718|0.067133|0.078660|0.063448|0.069457|0.072594|0.087062|0.076882|0.084855|0.080282|0.107053|0.093268|0.076683|0.108078|0.124035|0.500000| |3.595870|3.126034|2.945594|4.423332|3.982901|4.966091|7.915145|8.774672|5.303948|5.906961|6.005537|6.390306|4.885436|4.167455|30.821366|6.941557|0.140290|8.921750|5.678685|4.987907|5.627487|8.961011|17.711864|4.051582|3.376496|3.922674|3.376420|19.193665|4.854150|4.534382|2.239664|2.152858|1.885193|1.742239|1.781691|2.004177|3.526095|0.089163|0.097932|0.123359|0.074770|0.092373|0.073115|0.075366|0.098542|0.119213|0.116507|0.131995|0.124950|0.198564|0.120939|0.096560|0.124460|0.108134|0.219675|0.500000| |2.311732|1.982121|1.835391|2.662017|2.076449|2.413307|4.524580|3.470832|2.223365|2.298553|2.541196|2.867421|3.007524|2.711853|16.977721|2.967686|0.078212|3.790977|4.256570|5.649884|6.898996|5.338380|4.121909|8.744503|17.550912|6.923037|5.489340|12.835258|3.170212|3.303288|1.560772|1.466189|1.332451|1.285941|1.345077|1.483757|2.663514|0.062533|0.067371|0.069751|0.051600|0.053161|0.046572|0.050016|0.053109|0.058095|0.057129|0.057639|0.056993|0.066651|0.090019|0.072876|0.101794|0.154158|0.140222|0.097897|0.500000| |2.257461|1.922068|1.782106|2.527237|1.921547|2.181112|4.133875|3.035269|1.954120|1.978432|2.122819|2.357241|2.412514|2.192433|14.094278|2.499774|0.066971|3.102675|3.526793|4.676411|5.494547|4.212869|3.315035|8.766365|17.534350|7.066046|6.912883|12.260046|2.977234|3.204905|1.508099|1.406999|1.287654|1.256246|1.323478|1.454641|2.611280|0.062576|0.065893|0.066781|0.050718|0.051010|0.045137|0.049329|0.048975|0.053786|0.050497|0.051582|0.049629|0.057363|0.071577|0.059000|0.087451|0.138737|0.114047|0.080350|0.301032|0.500000| |2.470147|2.090833|1.891864|2.796102|2.134648|2.498672|4.857398|3.471303|2.178096|2.174467|2.381318|2.742419|2.847915|2.501128|15.571438|2.968193|0.081105|3.791487|4.699415|6.800347|6.846737|4.701455|3.810845|8.696956|17.572955|5.515252|6.870925|13.702220|3.353542|3.612571|1.649974|1.527313|1.383503|1.344892|1.422757|1.581288|2.774607|0.066934|0.074078|0.072865|0.055111|0.053877|0.047902|0.051675|0.054237|0.058698|0.056563|0.056570|0.053937|0.062013|0.087451|0.066868|0.116886|0.227903|0.115943|0.088560|0.301921|0.302080|0.500000| |3.016036|2.468145|2.365015|3.124657|2.413238|2.676685|4.867813|3.735250|2.398953|2.442089|2.477506|2.649799|2.500147|2.275754|15.683699|2.887587|0.072901|3.688211|3.704230|4.578685|6.723156|6.689592|4.584345|8.712657|5.511980|17.554228|6.948024|14.243830|3.385074|3.625369|1.754251|1.645595|1.497603|1.448366|1.516594|1.671626|2.993493|0.085353|0.082984|0.094897|0.062860|0.070084|0.058087|0.066224|0.059852|0.070869|0.059432|0.065164|0.060285|0.074655|0.069829|0.058908|0.086303|0.113589|0.231489|0.114960|0.140647|0.142960|0.122336|0.500000| |2.464632|2.071820|1.973384|2.657148|2.027600|2.246382|4.143635|3.129152|2.036568|2.079579|2.156519|2.319620|2.274320|2.094545|14.108681|2.470799|0.064092|3.068991|3.229207|4.072223|5.463914|4.795477|3.555148|8.827531|7.058469|17.553024|7.052035|12.494541|2.993285|3.217075|1.553653|1.458294|1.338376|1.303356|1.366699|1.495696|2.712781|0.069820|0.069345|0.074651|0.053932|0.057408|0.049365|0.055356|0.051172|0.058376|0.051587|0.054856|0.052122|0.062140|0.064807|0.055428|0.077840|0.108782|0.148107|0.089105|0.171920|0.215894|0.143327|0.302345|0.500000| |2.525291|2.139947|2.043644|2.802308|2.202531|2.486499|4.499716|3.591728|2.337949|2.455934|2.588847|2.780698|2.729116|2.517758|16.949213|2.894590|0.073010|3.690101|3.705630|4.582713|6.727686|6.684568|4.586001|8.712341|6.944183|17.554544|5.511146|13.032077|3.170769|3.295341|1.604492|1.519038|1.384709|1.332561|1.385644|1.521001|2.764289|0.069562|0.070627|0.078612|0.054781|0.060507|0.051184|0.056299|0.055711|0.063838|0.058453|0.062154|0.060767|0.074484|0.076748|0.066060|0.086208|0.113620|0.230938|0.115063|0.206605|0.174172|0.140612|0.300829|0.302291|0.500000| |3.248910|2.592801|2.294754|3.313133|2.435906|2.802569|5.612663|3.669591|2.253131|2.161784|2.257234|2.564869|2.492684|2.173754|14.171984|2.959745|0.080956|3.792579|4.701012|6.790927|6.847974|4.708771|3.813313|8.696456|6.869260|5.514537|17.574610|15.993524|3.756137|4.343517|1.911850|1.730282|1.560387|1.533422|1.650577|1.856416|3.139503|0.090947|0.099640|0.093899|0.068839|0.064305|0.056808|0.063827|0.060171|0.067146|0.057920|0.060007|0.053473|0.062200|0.074024|0.056776|0.117361|0.227801|0.116131|0.088567|0.140145|0.170134|0.204357|0.140662|0.143246|0.122322|0.500000| |2.793367|2.282526|2.099885|2.882602|2.128526|2.370996|4.562028|3.162799|2.006760|1.968877|2.034664|2.243115|2.187895|1.964772|13.045177|2.494617|0.066885|3.103010|3.527207|4.673108|5.494755|4.217646|3.316331|8.766370|6.913093|7.064754|17.533469|13.790074|3.243315|3.673371|1.696563|1.558012|1.424007|1.402943|1.497487|1.656214|2.903006|0.080407|0.081628|0.081521|0.060592|0.059416|0.052208|0.059344|0.053133|0.059941|0.051437|0.054102|0.049269|0.057504|0.063737|0.051810|0.087641|0.138712|0.114213|0.080348|0.140915|0.207559|0.170185|0.174329|0.215657|0.142899|0.302008|0.500000| |3.732052|2.873349|2.602797|3.541234|2.607985|2.924343|5.669609|3.821545|2.361572|2.273490|2.305579|2.553019|2.401623|2.120608|14.291810|2.953282|0.077982|3.792263|4.258097|5.640505|6.900426|5.355359|4.126428|8.745135|5.489572|6.921191|17.551953|16.423284|3.795340|4.374555|1.983425|1.803898|1.628815|1.597287|1.712490|1.920271|3.269817|0.108397|0.108859|0.111397|0.074865|0.073996|0.063113|0.073608|0.063463|0.074088|0.059517|0.064141|0.056085|0.067031|0.069050|0.054821|0.102310|0.154110|0.140757|0.097898|0.122519|0.140915|0.140172|0.206711|0.171715|0.140662|0.302055|0.300997|0.500000| |3.375360|4.473525|4.319302|8.048670|5.310333|3.935588|6.335082|4.552782|3.472248|2.763881|2.421988|2.419753|2.086985|1.920467|14.444678|2.737797|0.077222|2.420432|2.251866|2.003760|1.901133|2.004797|2.252539|1.683731|1.532146|1.596318|1.699374|47.204290|12.389727|8.079101|8.900588|17.748708|8.947773|5.684233|4.941947|5.635947|9.629282|0.082640|0.089739|0.088866|0.121836|0.111010|0.142994|0.099151|0.179227|0.129084|0.101211|0.108437|0.075494|0.072681|0.055583|0.048472|0.064074|0.052564|0.052611|0.063876|0.041739|0.039629|0.043127|0.046561|0.041092|0.043305|0.048154|0.043354|0.050214|0.500000| |2.566914|3.225691|3.360162|4.893185|3.235139|2.628610|4.391373|3.195787|2.439083|2.087514|1.865806|1.847538|1.644613|1.545529|11.604664|2.022733|0.056714|1.853656|1.756175|1.611316|1.551468|1.620725|1.767733|1.411979|1.297168|1.357152|1.436438|27.703583|6.737528|5.709282|5.630184|8.867278|17.748698|8.946406|5.636002|4.940364|16.756776|0.066606|0.067922|0.067275|0.092586|0.085691|0.113336|0.083722|0.099163|0.085454|0.069980|0.074734|0.058066|0.056063|0.044108|0.039723|0.049665|0.042849|0.043262|0.050125|0.035309|0.034014|0.036379|0.039557|0.035431|0.036806|0.040514|0.037259|0.042331|0.213318|0.500000| |2.788962|3.396361|3.246934|4.547845|2.716641|2.359917|4.262972|2.773770|1.962448|1.704771|1.586242|1.631907|1.484493|1.371734|9.912745|1.834284|0.052327|1.765248|1.752019|1.652083|1.574136|1.586666|1.673607|1.464313|1.343922|1.387378|1.546600|27.673436|5.798688|6.958051|5.633556|4.942189|5.632783|8.965160|17.749464|8.850017|16.735614|0.075949|0.076274|0.068359|0.112082|0.076983|0.100888|0.088133|0.075107|0.070921|0.054827|0.057855|0.045851|0.046539|0.040914|0.035587|0.050071|0.045075|0.042091|0.045919|0.035860|0.035566|0.038057|0.040376|0.036662|0.036858|0.044303|0.040408|0.045840|0.107388|0.124532|0.500000| 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