Version2.3 2021-03-30T14:26:43Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 18-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)N(C(=O)c2ccccc2)NC(=O)[C@@](c3ccccc3)(c4cccs4)O C00825213 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)N(C(=O)c2ccccc2)NC(=O)[C@@](c3ccccc3)(c4cccs4)O C01[X(C26H22N2O3S1)] 156 C1 528 Cc1ccc(cc1)N(C(=O)c1ccccc1)NC(=O)[C@](c1cccs1)(c1ccccc1)O Cc1ccc(cc1)N(C(=O)c1ccccc1)NC(=O)[C@](c1cccs1)(c1ccccc1)O Cc1ccc(cc1)N(NC(=O)[C@](O)(c2sccc2)c3ccccc3)C(=O)c4ccccc4 InChIKey=PGIAOHZYXYZYDI-AREMUKBSSA-N InChI=1S/C26H22N2O3S/c1-19-14-16-22(17-15-19)28(24(29)20-9-4-2-5-10-20)27-25(30)26(31,23-13-8-18-32-23)21-11-6-3-7-12-21/h2-18,31H,1H3,(H,27,30)/t26-/m1/s1 InChI=1/C26H22N2O3S/c1-19-14-16-22(17-15-19)28(24(29)20-9-4-2-5-10-20)27-25(30)26(31,23-13-8-18-32-23)21-11-6-3-7-12-21/h2-18,31H,1H3,(H,27,30)/t26-/m1/s1/f/h27H Cc1ccc(cc1)N(C(=O)c2ccccc2)NC(=O)[C@@](c3ccccc3)(c4cccs4)O C01[X(C26H22N2O3S1)] 156 C01 528 Cc1ccc(cc1)N(C(=O)c1ccccc1)NC(=O)[C@](c1cccs1)(c1ccccc1)O C[C]1[CH][CH][C]([CH][CH]1)N(C(=O)[C]1[CH][CH][CH][CH][CH]1)NC(=O)[C@]([C]1[S][CH]=[CH][CH]=1)([C]1[CH][CH][CH][CH][CH]1)O C[C]1[CH][CH][C]([CH][CH]1)N(NC(=O)[C@@](O)([C]2[CH][CH][CH][CH][CH]2)c3sccc3)C(=O)[C]4[CH][CH][CH][CH][CH]4 InChIKey=PGIAOHZYXYZYDI-AREMUKBSSA-N InChI=1S/C26H22N2O3S/c1-19-14-16-22(17-15-19)28(24(29)20-9-4-2-5-10-20)27-25(30)26(31,23-13-8-18-32-23)21-11-6-3-7-12-21/h2-18,31H,1H3,(H,27,30)/t26-/m1/s1 InChI=1/C26H22N2O3S/c1-19-14-16-22(17-15-19)28(24(29)20-9-4-2-5-10-20)27-25(30)26(31,23-13-8-18-32-23)21-11-6-3-7-12-21/h2-18,31H,1H3,(H,27,30)/t26-/m1/s1/f/h27H 3371.1127404817 -1728.3584311 1-A 13728.4259 116 412 528 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.96331 -20.59392 -20.53858 -20.52853 -15.62481 -15.62278 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1.3459 1.1010 1.5539 1.2747 2.2708 2.0713 1.7298 1.7260 1.7208 1.0699 1.9727 1.8914 3.5199 2.1315 1.1803 1.2783 2.5061 1.5470 2.4958 2.9928 2.0103 1.8209 2.8487 1.7251 3.6192 1.7509 1.8506 2.3486 2.1848 3.4550 2.8423 2.4864 2.3259 3.2858 3.3391 1.6425 10.2789 1.7333 3.6760 3.4505 4.3273 3.1101 9.8534 10.9318 9.5672 9.8951 9.8230 10.1899 10.9962 25.7276 29.5179 6.2760 6.8891 6.9901 7.2424 7.2347 7.2188 7.2328 7.2949 7.3084 7.3719 7.3664 7.3824 7.4299 7.4388 7.4107 7.4605 7.4863 7.5373 7.5812 7.6629 9.7654 10.6412 0.0146 0.1400 0.0981 0.0442 0.5920 0.7213 0.8213 1.3126 0.4731 0.7823 1.4636 0.8515 1.3250 2.0532 6.5487 0.2039 6.1448 26.8134 52.4946 1.8999 3.3657 2.8510 2.0788 13.5933 12.6413 12.9544 4.1754 4.4655 3.0752 2.3804 2.4980 0.1607 0.1777 0.1176 3.1730 11.2133 46.4820 32.8281 151.8624 20.0370 3.1060 4.8672 1.3527 7.2223 0.3985 0.8030 32.1461 17.9807 24.1665 19.7657 31.3133 27.8402 16.7993 37.3684 50.2115 54.6736 13.5522 43.9210 21.5560 23.0243 20.4446 17.4895 32.6972 0.1200 0.5434 0.4519 24.4833 6.5625 6.2348 1.9278 1.9842 4.2841 3.4111 1.6511 1.3764 2.6431 0.2628 0.1181 1.0983 1.2300 2.7625 4.9516 8.0405 4.6113 0.9870 2.1772 4.8891 12.4790 33.0577 5.6680 1.8923 12.7257 15.1591 16.8362 0.7917 119.7673 0.5280 7.0799 2.6406 2.5380 9.1599 21.3354 4.4041 23.8369 3.3434 121.3225 23.4293 59.9157 5.5208 25.9023 85.7350 80.1503 252.9860 13.0709 2.1004 1.8231 19.0012 17.8438 4.2137 12.5031 7.0785 3.8942 12.2756 81.2264 247.3966 0.3837 3.0066 0.0345 2.8503 0.9459 8.3696 0.9776 113.6769 346.0026 43.9424 28.9528 25.5370 19.8389 20.0350 0.2818 0.0317 9.7275 10.8366 17.6494 38.3832 32.8621 19.5413 17.5592 10.4855 6.7686 4.5088 0.4569 2.7855 4.4243 65.4949 87.5282 0.6064 1.0794 4.1314 1.5920 1.6775 6.3036 5.3517 6.9660 2.7037 2.7634 2.7731 2.5161 2.0586 4.9093 0.8767 0.4957 2.4817 1.7993 1.4759 3.1069 1.4262 2.8615 4.0675 1.9998 2.6093 1.2065 1.0759 0.8865 1.5045 2.9897 1.7286 0.2988 0.3249 0.0560 1.7615 0.7059 1.3591 1.3882 0.7456 0.9431 0.8464 2.5536 5.2085 0.7837 4.5837 6.7912 5.5606 7.4124 4.5245 0.5282 0.9126 1.5181 3.5942 1.8805 3.0351 2.0814 4.9533 12.5184 5.5244 5.4578 1.5429 8.5354 13.8392 2.5251 2.0571 2.3069 1.6661 2.0310 4.7699 1.9511 0.7422 1.4622 5.0450 4.8051 3.1713 9.4883 43.5443 0.0929 0.5675 0.4982 0.8819 4.7513 2.5692 8.1032 0.7625 10.8899 0.4293 7.1536 3.8624 2.9955 0.7957 2.0650 9.5844 2.7725 6.8626 1.7127 1.7863 2.3384 4.1027 4.5349 3.8586 6.9752 5.3657 1.4282 0.8344 2.0772 4.2791 5.8455 1.0458 2.1748 8.9447 2.7184 9.9907 6.9884 7.8323 12.4803 1.2188 2.6392 22.6323 101.1584 14.6281 0.0250 0.8490 1.0215 2.3305 7.7122 6.7849 8.9473 4.2301 23.4414 47.8032 45.5326 5.9367 23.1564 180.7297 101.6598 67.1176 78.1791 71.6907 39.7337 43.1017 95.9660 125.7852 114.9683 40.6706 67.6743 168.5434 112.2780 118.2884 185.2874 95.1573 52.8045 52.3937 182.4385 24.7683 55.8146 0.7499 0.7222 0.7489 0.7033 0.5565 0.7457 0.7495 0.7488 0.7477 0.7491 0.7435 0.7361 0.7287 0.7099 0.7361 0.7417 0.7296 0.6704 0.7391 0.2867 0.1942 0.7400 0.7500 0.2940 0.2546 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0.8431 0.8303 0.8480 0.8517 0.8437 0.8027 0.8500 0.4457 0.3252 0.8505 0.8571 0.4544 0.4058 0.6687 0.8569 0.5096 0.7762 0.8142 0.7996 0.5353 0.6502 0.2454 0.7049 0.8107 0.2340 0.8507 0.8077 0.8538 0.3809 0.7293 0.1069 0.6281 0.8571 0.8559 0.6791 0.5058 0.2574 0.7523 0.4757 0.6442 0.3739 0.6722 0.8467 0.8526 0.4356 0.1529 0.1363 0.3335 0.8532 0.3503 0.1789 0.8425 0.7007 0.8336 0.4191 0.7841 0.3954 0.8525 0.6980 0.8370 0.7225 0.7172 0.8467 0.6553 0.0835 0.2015 0.5699 0.8455 0.6482 0.2987 0.8371 0.1317 0.2573 0.1244 0.6786 0.5626 0.1547 0.1878 0.7061 0.1601 0.6453 0.7546 0.7011 0.8509 0.7222 0.7206 0.7872 0.1767 0.7531 0.4397 0.2678 0.8088 0.8015 0.6150 0.5796 0.4200 0.8072 0.6092 0.3379 0.3018 0.7526 0.6537 0.6029 0.6487 0.6780 0.6969 0.8520 0.4210 0.8478 0.7611 0.8048 0.6482 0.7879 0.5419 0.8479 0.8565 0.8294 0.7750 0.7156 0.7020 0.7829 0.2000 0.0841 0.8543 0.8562 0.5790 0.6891 0.8486 0.8571 0.8571 0.8380 0.2849 0.7364 0.6049 0.1895 0.2378 0.6714 0.2094 0.2467 0.3315 0.6103 0.3108 0.2462 0.4175 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 6 6 6 6 6 6 6 7 6 8 6 6 6 6 6 6 7 6 8 6 6 6 6 6 6 6 6 6 6 6 16 8 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 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 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 11347.7273 14607.5848 23094.8012 0.99905 0.04354 -0.00355 -0.04355 0.99905 -0.00249 0.00343 0.00265 0.99999 1 0.00763 0.00593 0.00375 0.15904 0.12355 0.07814 17.49 24.38 29.17 40.99 45.79 50.70 57.40 65.24 79.61 87.06 103.90 119.61 166.91 197.19 239.19 251.36 299.73 311.30 318.17 347.92 360.54 407.70 437.01 452.99 474.50 490.03 498.00 533.75 573.15 590.65 633.51 652.86 653.42 670.12 737.50 770.26 779.97 802.87 822.76 839.66 897.92 907.55 929.33 961.94 974.46 978.29 1011.42 1021.15 1039.61 1096.27 1120.55 1122.57 1152.47 1158.20 1166.38 1170.62 1185.33 1231.46 1252.26 1281.24 1306.18 1325.65 1356.60 1367.35 1379.25 1380.16 1392.16 1410.19 1448.18 1509.71 1517.39 1522.95 1533.69 1555.75 1569.25 1570.83 1571.14 1588.64 1594.96 1597.89 1609.74 1620.19 1622.87 1623.75 1626.33 1632.59 1687.81 1692.23 1697.06 1705.92 1717.89 1721.55 1747.05 1761.68 1762.51 1846.84 1864.96 1871.83 1873.57 1878.84 1894.56 1898.76 1911.61 1926.60 1930.75 1941.76 1990.55 2085.50 2097.75 2115.93 2133.55 2143.16 2169.61 2177.12 2252.46 2256.29 2319.66 2321.72 2348.41 2350.44 2360.09 2403.83 2406.99 2437.27 2453.59 2528.40 2554.44 2565.22 2566.51 2603.90 2607.15 2620.64 2811.93 2844.49 4609.89 4686.08 4719.93 4828.64 4830.42 4830.78 4834.94 4848.05 4851.70 4861.52 4863.86 4868.49 4876.88 4883.33 4886.28 4890.99 4900.20 4918.12 4933.42 4946.48 5636.81 5918.43 0.454774 0.481656 0.482600 0.391289 -1727.903657 -1727.876775 -1727.875831 -1727.967143 3.062619D-04 MUNgauss RevisionA2.1 retrievium 30-Mar-2021 DUDE Cc1ccc(cc1)N(C(=O)c2ccccc2)NC(=O)[C@@](c3ccccc3)(c4cccs4)O C00825213 RHF 6-31G(d) (6D,10F) C1 442.135115 |X|Y|Z| 73.853610 85.598698 30.771873 57.942550 28 6 7 16 25 2 1 |36.858105| |12.607709|36.858105| |7.540061|13.746632|36.858105| |5.006948|7.897252|13.724106|36.858105| |4.426456|6.821141|7.938301|13.805288|36.858105| |5.013099|7.874310|6.882362|7.953858|13.714176|36.858105| |7.554811|13.666410|7.985968|6.910786|7.956306|13.795189|36.858105| |3.318871|4.504690|5.143304|7.857440|13.258752|7.728268|5.119940|53.358707| |2.902153|3.745727|4.103626|5.574678|7.796063|5.997593|4.272225|18.690798|36.858105| |3.022457|3.871574|4.111913|5.260071|7.003616|6.040284|4.462032|11.552489|15.971387|73.516695| |2.372441|2.914291|3.170929|4.055293|5.006387|4.169373|3.229279|10.476983|12.698203|14.398502|36.858105| |2.133435|2.549836|2.678712|3.242755|3.932339|3.573656|2.859368|7.156344|7.705541|11.717766|13.723128|36.858105| |1.853688|2.163665|2.274105|2.686817|3.112974|2.856984|2.376649|5.390782|5.073196|8.012565|7.929247|13.764499|36.858105| |1.765861|2.051128|2.194246|2.600669|2.920963|2.614294|2.204533|5.063789|4.459283|6.836485|6.865941|7.941496|13.749408|36.858105| |1.893366|2.225557|2.440038|2.965624|3.285551|2.819025|2.359158|5.905329|5.019307|7.269512|7.926235|6.874538|7.937340|13.747358|36.858105| |2.194914|2.653567|2.962422|3.772665|4.302367|3.503497|2.830718|8.532034|7.519807|9.684395|13.718462|7.936080|6.876926|7.943079|13.764614|36.858105| |2.954563|3.830376|4.262206|5.866060|7.980375|5.936852|4.297436|18.851236|7.982190|9.823532|6.735535|4.850939|3.896679|3.802598|4.516623|6.273694|53.358707| |2.740763|3.438378|3.574266|4.459202|5.968909|5.435513|4.026540|10.892605|6.187734|8.383014|5.716386|4.708662|3.865691|3.656711|4.057441|5.093721|19.210791|36.858105| |2.752907|3.428217|3.402118|4.088497|5.641852|5.822058|4.226446|9.448093|6.141245|8.899101|5.485173|4.949640|3.942679|3.517612|3.683516|4.480856|11.541539|15.926521|73.516695| |2.388092|2.865935|2.979172|3.531587|4.221580|3.932707|3.211182|6.922927|4.237446|6.121262|4.277160|3.733505|3.348591|3.328161|3.680718|4.232401|10.610157|12.355534|14.175365|36.858105| |2.439030|2.861318|2.869583|3.227296|3.761805|3.755849|3.223643|5.536902|3.414403|5.224512|3.292345|2.986270|2.702282|2.646005|2.842681|3.190408|7.383225|7.557726|11.364826|12.412449|36.858105| |2.110454|2.396020|2.388650|2.618125|2.952506|2.973382|2.649860|4.298962|2.779808|4.359241|2.758774|2.585382|2.419802|2.391178|2.518602|2.715577|5.382155|5.045795|8.215294|7.500833|13.713234|36.858105| |2.064823|2.287000|2.240735|2.381991|2.629206|2.709485|2.506794|3.680613|2.396815|3.854621|2.338641|2.211692|2.074758|2.041458|2.134467|2.290449|4.386317|3.886541|6.600224|4.989502|7.898563|13.735549|36.858105| |2.305172|2.529787|2.429474|2.523911|2.764820|2.919908|2.775850|3.721179|2.386762|3.888249|2.260653|2.120667|1.958724|1.911727|2.007730|2.188346|4.327172|3.737592|6.442920|4.408810|6.827482|7.934397|13.776390|36.858105| |2.757246|3.100196|2.943071|3.056752|3.395460|3.650886|3.460991|4.439222|2.752036|4.462955|2.525946|2.323953|2.098205|2.033291|2.159516|2.413748|5.182630|4.480245|7.663430|4.992083|7.901140|6.890231|7.960188|13.741214|36.858105| |2.868610|3.388669|3.304333|3.610169|4.193013|4.384827|3.868144|5.670894|3.380059|5.301363|3.079365|2.767656|2.455457|2.376592|2.558517|2.926183|7.102315|6.595413|10.584047|7.495339|13.678992|7.958756|6.888275|7.933809|13.775351|36.858105| |2.039743|2.390296|2.468640|2.877461|3.378633|3.196948|2.663496|5.600145|3.808157|5.604653|4.205564|3.935348|3.742170|3.754437|3.967679|4.221922|7.556801|7.680718|11.434605|12.507600|7.435734|6.475584|4.412140|3.692028|3.844959|4.986316|36.858105| |1.831363|2.115572|2.215430|2.566019|2.901395|2.694348|2.298117|4.776555|3.331493|4.963262|3.834678|3.617890|3.662941|3.923388|4.182896|4.136882|6.150237|5.333089|8.078731|7.460226|5.261581|5.089017|3.739387|3.127812|3.165574|3.863638|14.126065|36.858105| |1.644321|1.872234|1.938401|2.207734|2.482059|2.353251|2.035855|4.005089|2.920149|4.486556|3.414415|3.439737|3.680309|3.919326|3.864726|3.603460|4.815964|4.100299|6.766622|5.024703|4.040682|4.133486|3.241807|2.723283|2.694851|3.143370|8.196232|13.278530|36.858105| |1.658091|1.884912|1.919175|2.169297|2.480903|2.414960|2.083973|3.961758|2.940868|4.591474|3.389979|3.571789|3.778859|3.751817|3.528821|3.370778|4.653158|4.127053|7.288909|4.791808|4.040938|4.151576|3.297836|2.779743|2.744046|3.177670|7.698290|8.256811|14.174328|36.858105| |1.914399|2.210774|2.220266|2.526260|2.995528|2.983587|2.512804|4.800324|3.484015|5.373171|3.838984|3.964498|3.831866|3.590379|3.482594|3.595577|5.795246|5.771044|10.870412|6.626886|5.542136|5.328697|4.010680|3.396224|3.447358|4.176318|10.964058|7.462312|7.456328|11.057624|388.023441| |2.346759|2.803313|3.029566|3.629217|4.064513|3.571533|2.999053|6.628525|3.953013|5.696729|4.029074|3.385025|3.104344|3.239661|3.774944|4.336893|10.169915|7.979198|9.648097|13.472140|7.952202|5.881023|4.310436|3.897963|4.358403|6.000147|7.988598|6.886482|4.543026|3.992472|33.482913|73.516695| |17.540659|8.848378|5.969044|4.334854|3.975079|4.563367|6.604038|4.175165|2.783002|5.293603|2.283868|2.084912|1.812965|1.714001|1.818860|2.093789|3.670486|2.523285|4.583120|2.192398|2.222264|1.943567|1.900637|2.100101|2.467075|2.562874|1.908599|1.720396|1.562255|1.584756|12.945303|3.796766|0.500000| |17.549597|8.836202|5.793364|4.259041|3.964663|4.627636|6.828550|4.171797|2.676882|4.887343|2.226613|2.023137|1.770714|1.686685|1.797973|2.064921|3.838741|2.689802|4.832604|2.385138|2.502394|2.181075|2.170107|2.470180|2.973678|3.002088|2.032243|1.816133|1.632555|1.652799|13.635964|4.129845|0.302289|0.500000| |17.578315|8.833586|7.222476|4.736475|3.958527|4.165896|5.571918|4.169818|2.682181|4.910654|2.231752|1.997988|1.755193|1.691957|1.826203|2.104778|3.757809|2.527978|4.429771|2.244008|2.278987|1.990289|1.950305|2.164359|2.554133|2.646025|1.924942|1.750708|1.571242|1.570348|12.721000|4.003134|0.301859|0.301650|0.500000| |6.974914|8.918962|17.707010|8.934142|5.655175|4.956144|5.659528|5.691776|3.475355|6.184158|2.808465|2.396612|2.076978|2.031165|2.263451|2.696534|4.917618|3.060220|5.136509|2.648500|2.561294|2.178113|2.062401|2.229161|2.647180|2.906136|2.230541|2.039325|1.794889|1.763799|14.244514|4.892994|0.155468|0.148707|0.220900|0.500000| |4.081941|5.627419|8.894244|17.715505|8.957598|5.656507|4.971492|9.888952|5.377044|8.692861|4.140504|3.233612|2.725403|2.707411|3.175271|4.074838|7.774942|4.179812|6.594611|3.428149|3.050585|2.509220|2.267059|2.361920|2.797118|3.294593|2.835979|2.593284|2.222281|2.146950|17.379563|6.549974|0.100509|0.098384|0.112632|0.215391|0.500000| |4.087907|5.614498|4.960356|5.663408|8.932869|17.761593|8.904728|9.663303|6.113366|10.964070|4.367491|3.899557|3.069586|2.736077|2.879708|3.535326|7.948337|5.980627|12.970145|4.173372|3.992059|3.154218|2.846865|3.033221|3.755000|4.556706|3.460711|2.845939|2.510366|2.635415|23.892193|6.369446|0.107170|0.109164|0.095862|0.107638|0.124560|0.500000| |7.019680|8.901598|5.664589|4.970068|5.659618|8.966943|17.697252|5.653854|3.657288|6.876090|2.878700|2.635917|2.219462|2.044131|2.149325|2.522218|4.963358|3.595269|6.936979|2.951298|3.047825|2.561550|2.470360|2.766835|3.414871|3.666971|2.499783|2.155933|1.937271|2.007100|17.240216|4.815893|0.184870|0.197230|0.140763|0.124219|0.107813|0.215518|0.500000| |2.194646|2.615894|2.680299|3.180008|3.923460|3.751281|2.999114|6.736640|7.217917|12.605717|8.945929|17.747181|8.900355|5.643684|4.955329|5.654500|6.008562|4.448339|8.933772|3.480201|2.894821|2.513021|2.179525|2.111892|2.321962|2.736475|3.610181|3.233424|3.112287|3.340756|27.232414|5.474566|0.060205|0.057912|0.056447|0.066073|0.085633|0.117596|0.077962|0.500000| |1.728530|1.989320|2.060612|2.381271|2.735867|2.584189|2.189477|4.538157|4.137009|6.887831|5.644254|8.930062|17.721518|8.909954|5.644340|4.954368|4.466027|3.347565|6.236339|2.969319|2.475223|2.260665|1.962302|1.850710|1.961523|2.257917|3.358649|3.295215|3.452142|3.667329|25.828099|4.843678|0.047287|0.046108|0.045406|0.052520|0.066428|0.077774|0.057664|0.214635|0.500000| |1.606381|1.839330|1.957183|2.276269|2.511266|2.281457|1.962145|4.198317|3.562636|5.640239|4.948067|5.647419|8.913759|17.713900|8.915640|5.648624|4.330372|3.111806|5.345160|2.943440|2.399040|2.219201|1.912630|1.781419|1.869278|2.151072|3.373702|3.648626|3.823257|3.623190|23.359416|5.138989|0.043412|0.042813|0.042949|0.050833|0.065820|0.066134|0.050997|0.124060|0.214798|0.500000| |1.786695|2.076626|2.292028|2.749920|2.950482|2.534251|2.165049|5.104227|4.085457|6.084656|5.642247|4.952940|5.643786|8.907164|17.717802|8.928141|5.420054|3.570889|5.676674|3.403236|2.671943|2.406342|2.052599|1.924373|2.051318|2.403106|3.654336|4.033465|3.727748|3.280959|22.313427|6.481559|0.047530|0.047226|0.048335|0.059960|0.083060|0.070937|0.054895|0.107568|0.124070|0.214814|0.500000| |2.313269|2.818484|3.249607|4.252414|4.636432|3.599114|2.933361|9.150510|6.911595|8.990496|8.898249|5.642242|4.954916|5.653238|8.940023|17.727194|9.321465|5.048501|7.519341|4.277194|3.242102|2.732228|2.315251|2.231361|2.483402|3.019534|4.018290|3.955492|3.333717|3.060463|23.349698|8.355997|0.060585|0.060109|0.062266|0.082828|0.134236|0.097264|0.071444|0.124271|0.107562|0.124314|0.215956|0.500000| |2.816291|3.574130|4.114991|5.599728|6.530953|4.862753|3.801505|12.717456|6.183142|8.113635|5.713981|4.195109|3.562714|3.652663|4.513987|6.102379|26.126539|9.349340|10.848216|7.435261|5.197563|3.891772|3.178813|3.113248|3.672621|4.922510|5.299653|4.606470|3.513682|3.263752|27.492464|16.131201|0.070837|0.074692|0.074753|0.100277|0.163836|0.128019|0.090094|0.104137|0.083650|0.086341|0.115754|0.205341|0.500000| |1.916237|2.165988|2.180621|2.405625|2.698492|2.676792|2.377236|4.023737|2.670829|4.177531|2.738313|2.603091|2.494644|2.494330|2.603999|2.737163|5.013435|4.623303|7.534690|6.961049|8.907099|17.744658|8.944951|5.655731|4.963167|5.651265|7.379598|6.152930|5.043871|4.972874|42.757230|10.046398|0.049457|0.054523|0.050487|0.055657|0.064977|0.079007|0.063748|0.069542|0.065024|0.065000|0.069576|0.075629|0.101696|0.500000| |1.856936|2.028149|1.990461|2.102208|2.293548|2.355074|2.200975|3.219161|2.137325|3.467355|2.112677|2.023490|1.927537|1.905571|1.974615|2.083254|3.764992|3.257305|5.593031|4.078540|5.634411|8.929511|17.718554|8.915726|5.651728|4.960055|3.866579|3.441862|3.102635|3.157895|25.930941|6.482777|0.047867|0.054133|0.049019|0.051414|0.056038|0.068602|0.060603|0.055387|0.051110|0.050170|0.053132|0.058228|0.076271|0.216543|0.500000| |2.196138|2.351719|2.239599|2.282554|2.458719|2.612211|2.547538|3.267840|2.124655|3.511282|2.012410|1.902815|1.768659|1.726628|1.803505|1.950398|3.698678|3.103156|5.424126|3.530489|4.928320|5.641928|8.915161|17.717008|8.905010|5.643688|3.069966|2.680666|2.392881|2.446414|20.619367|5.720058|0.055841|0.066043|0.057549|0.057728|0.059437|0.074845|0.071526|0.052880|0.046760|0.045002|0.048237|0.055218|0.074197|0.124330|0.214607|0.500000| |3.063976|3.372982|3.111275|3.115680|3.391028|3.744111|3.734628|4.247612|2.634355|4.354204|2.372801|2.182239|1.960951|1.893427|2.009897|2.254770|4.750859|3.919052|6.832294|4.079952|5.634733|4.961220|5.653389|8.904971|17.720508|8.944978|3.228862|2.723350|2.358816|2.403414|21.024318|6.573800|0.075228|0.094446|0.078295|0.077843|0.077994|0.104589|0.104265|0.061051|0.051069|0.048391|0.053072|0.064727|0.093391|0.107701|0.124129|0.214474|0.500000| |3.358716|4.157823|4.044686|4.492083|5.399478|5.707767|4.867069|6.932485|3.901240|6.088314|3.383252|2.963317|2.562961|2.462540|2.681504|3.159507|8.558338|7.480869|11.822341|6.934098|8.869499|5.645602|4.961448|5.659271|8.979751|17.733927|4.577842|3.599011|2.940692|2.964322|27.415312|10.368936|0.081963|0.096708|0.084840|0.095626|0.109866|0.159424|0.123316|0.081701|0.064810|0.061158|0.069329|0.091663|0.158805|0.123918|0.107669|0.124477|0.217584|0.500000| |1.821357|2.100516|2.234543|2.595507|2.861980|2.601034|2.239904|4.689025|3.206516|4.766986|3.661245|3.336776|3.377089|3.752789|4.212736|4.155461|6.064317|4.863621|7.116091|6.713163|4.841225|4.642208|3.520411|2.994310|3.045260|3.685396|8.936696|17.780082|8.595458|5.744023|37.742713|13.643890|0.047293|0.050002|0.048824|0.057709|0.074222|0.074569|0.057872|0.082084|0.083540|0.097634|0.118316|0.115286|0.134109|0.150295|0.090323|0.071821|0.073462|0.096486|0.500000| |1.520185|1.715189|1.783054|2.016016|2.225933|2.102258|1.842944|3.548874|2.607448|4.059876|3.053935|3.089202|3.399834|3.743680|3.667132|3.296968|4.161526|3.393644|5.616879|4.022233|3.358568|3.474523|2.840767|2.416795|2.375601|2.709123|5.715204|8.588884|17.745924|8.905932|37.693087|6.864910|0.040237|0.041854|0.040607|0.046311|0.056870|0.061607|0.048773|0.077479|0.089786|0.105922|0.101839|0.085389|0.085753|0.115605|0.076994|0.059979|0.058544|0.070959|0.201610|0.500000| |1.545954|1.739768|1.759932|1.966876|2.232740|2.197731|1.920209|3.504958|2.646027|4.227957|3.030602|3.290280|3.559825|3.477227|3.164558|2.979589|3.979936|3.440613|6.252186|3.813516|3.374051|3.508218|2.923490|2.502393|2.450665|2.763559|5.413365|5.693559|8.772425|17.780466|55.473390|5.799277|0.041332|0.042846|0.040681|0.045126|0.053973|0.066703|0.051837|0.087181|0.100023|0.095909|0.082041|0.074908|0.077389|0.113814|0.079322|0.062308|0.060489|0.072102|0.122670|0.203435|0.500000| 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