Version2.1 2021-01-07T10:28:34Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 02-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)n2c(nnc2S[C@@H](C)C(=O)Nc3ccc(cn3)Cl)c4ccccc4OC C21729674 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)n2c(nnc2S[C@@H](C)C(=O)Nc3ccc(cn3)Cl)c4ccccc4OC C01[X(C24H22Cl1N5O2S1)] 159 C1 547 COc1ccccc1c1nnc(n1c1ccc(cc1)C)S[C@H](C(=O)Nc1ccc(cn1)Cl)C COc1ccccc1c1nnc(n1c1ccc(cc1)C)S[C@H](C(=O)Nc1ccc(cn1)Cl)C COc1ccccc1c2nnc(S[C@@H](C)C(=O)Nc3ccc(Cl)cn3)n2c4ccc(C)cc4 InChIKey=BDNCXYBZXGWWLQ-INIZCTEOSA-N InChI=1S/C24H22ClN5O2S/c1-15-8-11-18(12-9-15)30-22(19-6-4-5-7-20(19)32-3)28-29-24(30)33-16(2)23(31)27-21-13-10-17(25)14-26-21/h4-14,16H,1-3H3,(H,26,27,31)/t16-/m0/s1 InChI=1/C24H22ClN5O2S/c1-15-8-11-18(12-9-15)30-22(19-6-4-5-7-20(19)32-3)28-29-24(30)33-16(2)23(31)27-21-13-10-17(25)14-26-21/h4-14,16H,1-3H3,(H,26,27,31)/t16-/m0/s1/f/h27H Cc1ccc(cc1)n2c(nnc2S[C@@H](C)C(=O)Nc3ccc(cn3)Cl)c4ccccc4OC C01[X(C24H22Cl1N5O2S1)] 159 C01 547 COc1ccccc1c1nnc(n1c1ccc(cc1)C)S[C@H](C(=O)Nc1ccc(cn1)Cl)C CO[C]1[CH][CH][CH][CH][C]1C1=[N][N][C](N1[C]1[CH][CH][C]([CH][CH]1)C)S[C@H](C(=O)N[C]1[CH][CH][C]([CH][N]1)Cl)C CO[C]1[CH][CH][CH][CH][C]1C2=N[N][C](S[C@@H](C)C(=O)N[C]3[CH][CH][C](Cl)[CH][N]3)N2[C]4[CH][CH][C](C)[CH][CH]4 InChIKey=BDNCXYBZXGWWLQ-INIZCTEOSA-N InChI=1S/C24H22ClN5O2S/c1-15-8-11-18(12-9-15)30-22(19-6-4-5-7-20(19)32-3)28-29-24(30)33-16(2)23(31)27-21-13-10-17(25)14-26-21/h4-14,16H,1-3H3,(H,26,27,31)/t16-/m0/s1 InChI=1/C24H22ClN5O2S/c1-15-8-11-18(12-9-15)30-22(19-6-4-5-7-20(19)32-3)28-29-24(30)33-16(2)23(31)27-21-13-10-17(25)14-26-21/h4-14,16H,1-3H3,(H,26,27,31)/t16-/m0/s1/f/h27H 3564.3265159507 -2200.608814 1-A 20864.0280 125 422 547 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.82307 -91.97145 -20.60781 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2.7743 2.9496 2.1995 3.2841 1.6287 1.2662 1.6488 1.6476 2.3181 1.3672 2.8613 1.5686 1.5074 2.3350 1.8215 3.3990 2.7295 1.9055 1.3822 3.6200 1.6341 2.9317 5.4627 1.3426 1.2531 2.1557 1.7445 1.0434 1.0563 1.3039 1.2606 1.0549 1.0478 1.1056 2.5573 2.2479 10.2103 2.8144 2.7670 7.4874 6.0330 6.2914 5.7844 6.5905 5.6912 2.2959 8.7200 1.0388 1.0335 1.0359 1.1002 1.1080 1.1035 1.1044 1.0908 1.1004 1.1028 1.0909 1.0883 1.0903 1.0923 1.0913 1.0959 1.0935 1.0970 1.0954 1.0974 1.0938 1.0808 0.0004 0.0010 0.0004 0.0005 0.0029 0.0040 0.0046 0.0060 0.0117 0.0113 0.0144 0.0187 0.0490 0.0421 0.0464 0.0955 0.0940 0.0909 0.0846 0.1410 0.0745 0.0547 0.0923 0.1312 0.2278 0.2653 0.1521 0.2754 0.2569 0.2983 0.4963 0.5043 0.6093 0.5388 0.6543 0.3954 0.5410 0.5646 1.1101 0.7170 0.7063 1.6461 0.8787 0.5670 0.7762 1.2977 1.1679 1.3726 1.7260 2.0527 2.0032 1.5725 1.7840 0.6534 1.5685 1.1594 1.1113 1.9122 1.7891 1.4037 0.6684 2.0449 2.2704 2.4299 0.7827 1.3765 0.6601 1.1691 0.8234 2.3732 0.9689 2.0781 1.0401 1.1753 1.3472 1.0969 0.9733 3.5333 1.0040 3.1157 0.9687 2.5065 2.1964 4.7997 1.2592 3.4180 2.1941 1.5745 2.6537 1.3300 2.4199 2.6459 2.0066 3.0705 1.5793 1.2477 1.6434 1.6498 2.3226 1.3992 2.9652 1.6689 1.7209 2.6858 2.1339 4.0238 3.3239 2.3734 1.7292 4.6371 2.2080 4.0431 7.8147 1.9431 1.8157 3.1297 2.6801 1.6407 1.6616 2.0600 1.9927 1.6685 1.6828 1.7915 4.1519 3.6976 16.9046 4.7935 4.8784 13.6356 11.2203 11.8741 11.0812 12.8517 11.1304 4.5109 20.6788 6.2944 6.2995 6.3660 6.9051 7.0385 7.0208 7.0758 7.0097 7.1519 7.2205 7.2684 7.2684 7.2856 7.3619 7.3680 7.4288 7.4191 7.4595 7.4664 7.4918 7.5000 9.0363 0.3201 0.6048 0.0357 0.0979 1.0627 2.2101 0.3304 2.1477 0.8485 1.9042 0.5148 5.7293 1.2171 2.3393 2.9554 3.3516 1.1460 0.9461 1.8052 1.9296 2.2052 1.3234 1.1058 0.5203 0.6417 3.3498 2.8670 5.9360 3.0924 0.8613 0.9144 11.2467 0.2097 3.7077 13.0454 0.0084 0.2973 1.3621 19.1600 3.6135 0.5716 3.4466 6.9575 7.1006 6.4731 4.2800 10.6999 5.5692 18.7407 7.0076 3.2596 1.2089 6.5046 79.4214 19.4790 10.6476 96.2942 11.7398 5.5392 45.7300 38.5196 4.9236 9.5465 8.2220 30.2919 30.4681 0.4675 49.5197 3.0566 15.5575 3.3400 12.0164 3.3869 1.4222 11.6881 2.1068 0.0634 20.7949 1.5728 10.7627 0.1992 1.9398 15.3361 15.5549 7.8896 36.8237 17.4027 0.6220 11.2441 25.6536 8.7524 98.1711 41.0141 6.5436 0.2383 2.9533 16.5070 20.9860 123.3481 4.5831 5.4203 10.9519 37.4644 36.2436 124.8092 45.6419 163.0289 45.0989 5.4481 43.3458 109.7442 22.8007 122.1223 1.2463 2.0623 4.5115 72.2974 6.1022 4.8962 15.0107 2.3229 12.1229 4.2664 35.4448 399.4222 81.5817 113.9677 123.3044 284.8465 29.4558 1.4283 61.8756 168.8276 61.6729 3.7800 218.8468 326.4167 35.4363 47.6385 25.6048 24.9604 46.2769 20.2821 21.6713 2.9097 11.9683 28.0280 17.4327 3.3602 14.4723 17.7728 5.4207 7.2443 14.8995 18.2787 4.9751 2.7240 11.7622 351.6615 1.0642 0.7843 2.8297 2.7006 1.8683 5.6364 3.2682 4.1247 3.1809 1.2847 0.3625 2.5011 0.5935 2.7086 1.1841 1.2663 1.4842 1.3963 1.1663 1.7913 0.5311 0.7520 0.7431 1.6503 0.7369 2.5111 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0.5734 0.3362 0.8503 0.2967 0.5997 0.6572 0.5033 0.6511 0.2840 0.1019 0.0563 0.0650 0.8509 0.8302 0.8571 0.8463 0.5707 0.7527 0.7363 0.5792 0.7586 0.6261 0.7655 0.7465 0.2898 0.4776 0.2699 0.3149 0.2406 0.2859 0.3752 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 6 6 6 6 6 6 6 7 6 7 7 6 16 6 1 6 6 8 7 6 6 6 6 6 7 17 6 6 6 6 6 6 8 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 14.00307 12.00000 31.97207 12.00000 1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 34.96885 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 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 10674.7050 30583.7237 35835.3952 0.99997 -0.00416 -0.00713 0.00416 0.99999 -0.00021 0.00713 0.00018 0.99997 1 0.00811 0.00283 0.00242 0.16907 0.05901 0.05036 14.18 24.42 29.86 30.71 43.22 47.74 56.59 71.25 74.99 86.36 92.61 132.05 149.43 166.23 178.67 206.26 239.29 247.87 259.23 300.71 343.98 368.99 377.68 391.44 409.39 440.26 445.23 479.18 488.80 521.42 523.66 557.17 575.42 594.59 640.22 665.88 671.15 679.85 710.69 717.43 791.87 812.56 818.16 837.54 872.43 913.03 939.82 982.52 992.22 1003.38 1012.73 1054.23 1078.09 1109.58 1130.83 1150.59 1176.54 1184.76 1208.83 1220.37 1233.70 1246.82 1251.49 1260.16 1344.64 1355.28 1362.49 1369.45 1398.81 1470.03 1545.04 1548.58 1553.42 1559.46 1567.49 1574.68 1583.18 1593.26 1594.50 1601.85 1604.09 1634.31 1646.40 1673.73 1688.81 1705.66 1717.33 1720.66 1722.05 1735.70 1750.62 1775.33 1790.33 1812.44 1845.78 1860.65 1871.35 1875.71 1876.24 1896.24 1908.15 1933.41 2002.83 2010.29 2028.83 2039.45 2068.48 2091.94 2096.56 2121.47 2178.85 2201.23 2241.93 2255.00 2256.27 2258.53 2323.27 2350.51 2350.89 2355.98 2356.65 2357.37 2375.42 2386.06 2388.40 2404.06 2411.86 2446.25 2488.88 2529.54 2556.26 2575.12 2594.37 2617.51 2621.33 2627.37 2886.50 4614.05 4627.62 4646.75 4695.90 4724.33 4728.00 4744.63 4751.65 4778.70 4796.25 4838.26 4844.20 4845.29 4866.17 4870.36 4880.21 4882.36 4887.78 4893.71 4897.48 4908.33 5419.92 0.458239 0.487028 0.487972 0.391581 -2200.150575 -2200.121786 -2200.120842 -2200.217233 3.232970D-04 MUNgauss RevisionA2.0 retrievium 07-Jan-2021 DUDE Cc1ccc(cc1)n2c(nnc2S[C@@H](C)C(=O)Nc3ccc(cn3)Cl)c4ccccc4OC C21729674 RHF 6-31G(d) (6D,10F) C1 479.118275 |X|Y|Z| 40.885069 66.783849 121.376698 69.202826 27 6 7 16 21 5 1 |36.858105| |12.611121|36.858105| |7.545441|13.720604|36.858105| |5.010011|7.890827|13.752984|36.858105| |4.432921|6.835251|7.957339|13.779784|36.858105| |5.014449|7.885975|6.889557|7.943381|13.751671|36.858105| |7.553164|13.684471|7.979752|6.895290|7.962803|13.786477|36.858105| |3.326419|4.517819|5.147036|7.830914|13.324530|7.809235|5.145710|53.358707| |2.849556|3.667517|4.172512|5.833646|7.535843|5.430628|4.018570|18.863741|36.858105| |2.432415|3.011741|3.355049|4.403732|5.345619|4.237987|3.281553|11.913382|14.874224|53.358707| |2.441819|3.022350|3.321574|4.319715|5.363013|4.346812|3.336743|11.943825|8.904142|18.990885|53.358707| |2.874991|3.700310|4.076200|5.545965|7.622936|5.820020|4.186700|19.087450|8.856978|12.110027|20.197365|36.858105| |2.926087|3.668453|3.864975|4.768906|5.970809|5.345339|4.161032|9.462715|4.939997|6.708942|9.490131|10.827411|388.023441| |2.287762|2.713022|2.823453|3.321691|3.897310|3.634883|3.012124|6.331657|3.927566|5.937547|8.616957|6.841122|73.685087|36.858105| |2.182525|2.589768|2.683603|3.177830|3.810177|3.570726|2.910495|6.480492|4.217014|6.703523|10.074690|7.057828|56.824193|17.638704|0.500000| |2.182357|2.516387|2.533687|2.843810|3.273203|3.245187|2.808309|4.923502|3.092483|4.488973|5.830437|4.682751|49.681390|12.469848|0.245514|36.858105| |2.089987|2.436513|2.604372|3.047730|3.360394|3.028724|2.596045|5.389934|3.521462|5.433089|7.489487|5.437404|48.631852|12.409424|0.244527|7.571018|36.858105| |2.015716|2.305607|2.453508|2.790549|2.981361|2.731389|2.416521|4.542238|2.967158|4.416768|5.663242|4.264399|39.318678|8.009472|0.165146|6.843906|16.006336|73.516695| |1.979235|2.311130|2.511615|2.988411|3.267497|2.866573|2.440925|5.469385|3.813104|6.274589|8.654076|5.451152|39.127343|7.869273|0.210301|5.178780|13.924668|14.841878|53.358707| |1.806935|2.075353|2.276184|2.664329|2.801043|2.454859|2.143875|4.538578|3.285799|5.312466|6.499104|4.139795|28.836634|5.042069|0.135891|3.863335|7.685135|11.584454|18.586325|36.858105| |1.776433|2.042330|2.271334|2.681003|2.775599|2.390588|2.088761|4.544819|3.466679|5.716675|6.455322|3.953265|25.284655|4.014993|0.112690|3.140697|5.215571|8.024246|10.843166|13.621756|36.858105| |1.613816|1.824032|2.023094|2.332336|2.363126|2.064787|1.842823|3.732511|2.861378|4.530836|4.852711|3.101535|20.328178|3.153867|0.087784|2.613543|3.949892|6.530490|7.118082|7.996878|13.862287|36.858105| |1.511980|1.687645|1.851792|2.093377|2.113612|1.881076|1.701691|3.256859|2.434278|3.756098|4.087123|2.705072|18.630744|2.949046|0.080468|2.535498|3.762406|6.591397|6.330792|7.052673|8.031335|13.743035|36.858105| |1.540110|1.718343|1.868460|2.103820|2.145092|1.928495|1.744275|3.290602|2.395982|3.680204|4.154556|2.796729|20.138418|3.328803|0.088804|2.895809|4.490728|8.241556|7.315767|8.411685|7.050810|8.014844|13.831801|36.858105| 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|2.440084|2.861756|3.279343|3.827523|3.728987|3.155508|2.826017|5.417808|5.070625|5.859649|4.573838|3.272405|18.220395|2.235641|0.064511|1.927871|2.160368|3.474767|3.180481|2.237051|2.474312|2.263777|1.954975|1.846832|2.651834|14.058466|7.893531|13.740141|36.858105| |2.512451|2.913235|3.210472|3.597399|3.591258|3.198694|2.915280|5.006121|4.482966|5.109994|4.108542|3.003380|17.111555|2.095010|0.060612|1.839913|1.986788|3.210822|2.871674|1.996787|2.159186|1.978126|1.738644|1.663511|2.395942|12.580034|6.876634|7.993879|13.801123|36.858105| |2.751637|3.259502|3.471250|3.905118|4.134962|3.806802|3.397063|5.688264|5.047623|5.500228|4.430327|3.306866|18.649382|2.248059|0.065503|1.980259|2.077454|3.334721|2.963830|2.016592|2.139551|1.930906|1.707293|1.656282|2.415665|12.238928|7.909389|6.888287|7.907099|13.724005|36.858105| |2.953684|3.674719|3.942894|4.753524|5.490768|4.862999|3.999444|7.974583|7.590245|7.385638|5.696935|4.312806|22.867075|2.682040|0.078895|2.312525|2.426553|3.827390|3.461787|2.300384|2.422786|2.134171|1.872738|1.830871|2.712697|13.178708|13.618502|7.927980|6.832580|7.935793|13.742702|36.858105| |3.084732|3.877805|3.898993|4.591910|5.868675|5.858966|4.578912|8.323780|6.900294|7.007656|5.812403|4.566958|24.707986|2.867554|0.085147|2.505900|2.500949|3.929389|3.488516|2.266280|2.325274|2.032423|1.806126|1.794009|2.687751|12.657274|8.182198|5.293154|4.612141|5.206795|7.894081|14.166181|73.516695| |2.991140|3.574523|3.404037|3.707329|4.456225|4.897770|4.242302|5.908273|4.581079|5.135390|4.508919|3.524084|20.714560|2.473609|0.072950|2.241686|2.165007|3.461091|2.980996|1.958160|1.992950|1.771817|1.598127|1.592803|2.367038|11.356713|5.246052|3.985014|3.788206|4.521210|6.738861|8.005265|24.165433|36.858105| |17.537163|8.859770|6.143416|4.406091|3.986389|4.498869|6.405195|4.196811|2.620525|3.110628|3.186566|2.759875|20.821257|2.302041|0.060237|2.235547|2.106882|3.659666|2.676921|1.794600|1.744678|1.587633|1.500902|1.541191|2.279163|10.805551|2.558162|2.332079|2.189592|2.226698|2.416021|2.607609|4.868374|2.649707|0.500000| |17.566753|8.838396|5.692580|4.216319|3.966028|4.680022|7.001950|4.174492|2.681635|3.131504|3.119069|2.660170|19.064141|2.142485|0.057447|2.062785|1.943413|3.321185|2.514313|1.686307|1.659942|1.512000|1.417943|1.442965|2.126102|10.245209|2.718366|2.447190|2.346703|2.470217|2.745870|2.905059|5.494481|3.115525|0.302154|0.500000| |17.581244|8.837008|7.163993|4.722131|3.964113|4.181666|5.604560|4.174180|2.698463|3.148413|3.122762|2.653240|18.875756|2.114139|0.056137|2.002733|1.968980|3.390004|2.565997|1.744723|1.731568|1.587247|1.486827|1.503945|2.200954|10.776565|2.755752|2.566776|2.467315|2.530058|2.704772|2.832537|5.090788|2.766445|0.301986|0.301573|0.500000| |6.987013|8.912944|17.715317|8.953069|5.663756|4.960497|5.658876|5.688146|3.586879|4.052591|3.989495|3.465058|23.623634|2.532135|0.066688|2.290142|2.400957|4.081597|3.174296|2.159289|2.171620|1.965256|1.808062|1.813386|2.668262|12.894987|3.618199|3.423910|3.144150|3.044784|3.168293|3.448482|5.883937|2.949222|0.162620|0.144987|0.217131|0.500000| |4.084977|5.624225|8.901555|17.731276|8.938310|5.652252|4.964673|9.804732|5.969336|6.291590|6.041874|5.405345|31.860305|3.258876|0.086646|2.736588|3.116712|5.072050|4.274544|2.860909|2.945409|2.565198|2.271817|2.252706|3.374061|15.663769|5.569228|5.193589|4.167334|3.699483|3.810939|4.537111|7.336468|3.317320|0.102500|0.097227|0.112153|0.215685|0.500000| |4.087061|5.619021|4.962877|5.657170|8.941565|17.745631|8.902318|9.784898|5.276817|5.861631|6.118797|5.883332|38.569385|3.841502|0.107874|3.474493|3.079153|4.874305|3.951075|2.449526|2.364914|2.033369|1.856123|1.912827|2.946389|12.817214|4.495473|3.447289|2.958435|3.029593|3.661786|4.724553|11.017134|5.306955|0.105101|0.110777|0.096259|0.107691|0.124466|0.500000| |7.008637|8.904483|5.660816|4.962781|5.663600|8.961384|17.706877|5.682722|3.413520|3.927445|4.012669|3.585377|26.087090|2.784996|0.075182|2.681437|2.388308|3.985126|3.038559|1.966860|1.905680|1.693661|1.577221|1.622836|2.443774|11.166911|3.259291|2.741682|2.509922|2.628347|3.068561|3.515348|7.315068|4.077506|0.174551|0.207283|0.141869|0.124194|0.107709|0.215424|0.500000| |2.258512|2.604996|2.559611|2.843499|3.350917|3.466051|2.987962|4.955566|3.092011|4.401227|5.569541|4.562795|46.534980|8.826765|0.214827|17.589871|5.504545|8.811201|5.760239|3.269471|2.774405|2.339205|2.250397|2.510989|4.137053|15.038373|2.522901|2.212897|1.922911|1.860664|2.030552|2.379824|4.692850|2.389970|0.064203|0.059948|0.056919|0.063574|0.074417|0.106678|0.080686|0.500000| |2.244788|2.561157|2.577368|2.841831|3.180979|3.156951|2.809249|4.602494|2.860109|4.053750|5.115654|4.219462|46.496278|8.790413|0.173150|17.614502|6.858726|12.892673|6.315395|3.640225|2.966308|2.513795|2.475654|2.847568|4.783089|16.392339|2.356465|2.124441|1.848617|1.763258|1.885700|2.179941|4.160307|2.107517|0.064842|0.058423|0.057233|0.065231|0.075941|0.091383|0.074525|0.299581|0.500000| |1.941399|2.203578|2.224394|2.475780|2.799124|2.764492|2.429007|4.228093|2.762450|4.083058|5.169094|3.914978|36.610621|8.874435|0.210654|17.579866|6.995730|11.765735|6.862665|3.880308|3.106473|2.617931|2.584732|3.002139|5.120486|16.979962|2.278156|2.059625|1.795674|1.712831|1.829518|2.110166|4.029897|2.048075|0.055122|0.051316|0.049958|0.056581|0.067028|0.082027|0.064941|0.300326|0.302800|0.500000| |2.054943|2.432475|2.651723|3.226151|3.622944|3.127066|2.598703|6.420994|4.605515|8.135791|12.365795|6.714917|41.669350|7.743450|0.238128|4.889853|9.479947|10.896242|25.902512|9.352470|7.588124|4.920637|4.138063|4.440799|8.112404|24.170382|3.457002|3.195203|2.598733|2.333513|2.424449|2.885550|5.166012|2.433758|0.056106|0.053455|0.054239|0.067616|0.094158|0.088739|0.065583|0.116878|0.118282|0.128646|0.500000| |1.874823|2.182668|2.448015|2.952905|3.086743|2.606043|2.241522|5.238652|4.169567|7.226412|7.873026|4.528728|26.726983|4.058393|0.117374|3.103792|4.888478|7.245957|9.929032|8.849651|17.734092|8.914624|5.672331|5.046095|7.764284|31.465536|3.431020|3.496666|2.853173|2.446822|2.418568|2.774359|4.667776|2.208361|0.050646|0.048700|0.050737|0.064513|0.091041|0.071548|0.056353|0.077689|0.080447|0.083646|0.229295|0.500000| |1.569913|1.768290|1.968275|2.261825|2.270709|1.980910|1.776342|3.566235|2.797414|4.392401|4.496486|2.875763|18.425943|2.771207|0.077931|2.324446|3.311330|5.475910|5.734119|5.655753|8.922748|17.740328|8.891623|5.673500|6.756577|53.058952|2.524427|2.689403|2.355469|2.036362|1.958262|2.138285|3.568561|1.752639|0.042654|0.040958|0.043152|0.053444|0.069567|0.054002|0.045343|0.058794|0.062148|0.064305|0.115482|0.213326|0.500000| |1.453547|1.604974|1.731086|1.920916|1.951626|1.777804|1.625862|2.942306|2.126763|3.213367|3.599538|2.471210|18.173121|2.991208|0.079230|2.707570|3.916292|7.512710|5.920993|5.916445|5.045146|5.671643|8.928913|17.729712|12.702163|53.416618|1.877727|1.881379|1.676006|1.523566|1.518999|1.666949|2.918126|1.472726|0.040616|0.037910|0.039461|0.046869|0.056663|0.049031|0.042308|0.065489|0.074996|0.078910|0.101632|0.109133|0.124232|0.500000| |2.435676|2.936100|3.492795|4.440800|4.350130|3.404521|2.918196|7.057534|7.201161|8.758762|6.395417|4.360676|22.706576|2.775818|0.080005|2.291213|2.749810|4.328907|4.201452|2.964853|3.406552|3.010881|2.494779|2.328023|3.380996|17.325884|8.982571|17.731548|8.906318|5.667806|4.961202|5.652204|7.615887|3.332699|0.062077|0.063424|0.067517|0.091923|0.146094|0.088305|0.070625|0.062108|0.060734|0.058969|0.097707|0.115140|0.087069|0.057326|0.500000| |2.235038|2.562980|2.940827|3.351233|3.188994|2.728353|2.492703|4.597888|4.131679|5.037932|4.066823|2.886369|16.526067|2.063137|0.059171|1.790259|2.029874|3.296599|3.003022|2.155312|2.411977|2.253256|1.946906|1.818369|2.575941|14.192708|5.628362|8.901703|17.735017|8.906220|5.628302|4.932378|6.507600|3.131665|0.056237|0.059550|0.063518|0.080402|0.103115|0.071135|0.062066|0.049262|0.047945|0.046662|0.067345|0.076635|0.066092|0.045933|0.214308|0.500000| |2.336553|2.629338|2.852809|3.082890|3.035935|2.777122|2.603327|4.159134|3.577645|4.230175|3.513102|2.569410|15.098415|1.873607|0.053990|1.667933|1.787873|2.917826|2.572682|1.805798|1.947890|1.810182|1.606044|1.534659|2.192320|11.769850|4.953826|5.665904|8.931160|17.715647|8.952886|5.656006|7.470031|3.923796|0.057707|0.064414|0.066054|0.076644|0.087711|0.073410|0.066319|0.046872|0.044601|0.043397|0.057426|0.060535|0.051969|0.039294|0.124296|0.214367|0.500000| |2.700017|3.112903|3.188550|3.435716|3.650071|3.551649|3.274761|4.881069|4.097530|4.633501|3.882077|2.920400|17.059094|2.075957|0.060408|1.862272|1.908327|3.086777|2.693059|1.832830|1.924094|1.748869|1.564153|1.525553|2.220223|11.295937|5.624620|4.964257|5.649265|8.945079|17.769612|8.889011|12.555934|7.500924|0.065719|0.076632|0.073499|0.081203|0.091135|0.096495|0.084555|0.053484|0.049355|0.047953|0.060624|0.059616|0.049128|0.039135|0.107737|0.124230|0.217397|0.500000| |3.324273|3.914308|3.646495|3.798307|4.354083|4.862861|4.539213|5.406745|4.060841|4.521671|4.032510|3.205274|19.395505|2.290103|0.066310|2.095770|2.028378|3.283353|2.773939|1.839452|1.872019|1.678978|1.522590|1.516456|2.240905|10.895330|4.748843|3.784042|3.725899|4.568514|6.718305|7.021083|16.441768|17.570943|0.079868|0.098259|0.085719|0.088117|0.093188|0.137747|0.122074|0.061763|0.055522|0.053133|0.062142|0.057213|0.046233|0.039106|0.088012|0.086358|0.113015|0.224567|0.500000| |2.970678|3.526734|3.251915|3.504135|4.329923|5.094328|4.385127|5.728648|4.215062|4.883916|4.477675|3.547085|21.523445|2.581492|0.076414|2.377752|2.213476|3.538405|3.003582|1.950868|1.955761|1.732406|1.574503|1.584503|2.369572|11.158993|4.412513|3.412960|3.182551|3.623206|4.912153|5.883867|17.002512|17.651818|0.074302|0.086740|0.074802|0.077728|0.086017|0.166075|0.122062|0.071728|0.061744|0.060133|0.067861|0.059676|0.047212|0.040831|0.082211|0.075027|0.089233|0.146446|0.299914|0.500000| |2.579135|2.990063|2.899927|3.146926|3.650978|3.857262|3.419076|5.029025|4.067018|4.774122|4.135267|3.114789|18.381464|2.269619|0.067478|2.063378|2.013862|3.225528|2.804679|1.863023|1.911831|1.714004|1.545024|1.530866|2.258787|11.053543|4.759007|3.805409|3.752690|4.603666|6.764127|7.039785|16.446548|17.574681|0.064243|0.074521|0.067406|0.071650|0.080718|0.115132|0.092190|0.060765|0.053733|0.053085|0.063563|0.058856|0.047411|0.039366|0.088496|0.086971|0.113861|0.226196|0.298581|0.300168|0.500000| 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