Version2.0 2020-02-17T15:08:35Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 07-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)C[C@@H]2C(=O)N(C3([NH2+]2)CCN(CC3)S(=O)(=O)c4ccc(cc4)F)Cc5ccc(cc5)F C36014241 RHF 6-31G(d) (6D,7F) c1ccc(cc1)C[C@@H]2C(=O)N(C3([NH2+]2)CCN(CC3)S(=O)(=O)c4ccc(cc4)F)Cc5ccc(cc5)F C01[X(C27H28F2N3O3S1)] 186 C1 600 Fc1ccc(cc1)CN1C(=O)[C@H]([NH2+]C21CCN(CC2)S(=O)(=O)c1ccc(cc1)F)Cc1ccccc1 Fc1ccc(cc1)CN1C(=O)[C@H]([NH2+]C21CCN(CC2)S(=O)(=O)c1ccc(cc1)F)Cc1ccccc1 Fc1ccc(CN2C(=O)[C@@H](Cc3ccccc3)[NH2+]C24CCN(CC4)[S](=O)(=O)c5ccc(F)cc5)cc1 InChIKey=UFLVUNTZRPDEMM-RUZDIDTESA-O InChI=1S/C27H27F2N3O3S/c28-22-8-6-21(7-9-22)19-32-26(33)25(18-20-4-2-1-3-5-20)30-27(32)14-16-31(17-15-27)36(34,35)24-12-10-23(29)11-13-24/h1-13,25,30H,14-19H2/p+1/t25-/m1/s1 InChI=1/C27H27F2N3O3S/c28-22-8-6-21(7-9-22)19-32-26(33)25(18-20-4-2-1-3-5-20)30-27(32)14-16-31(17-15-27)36(34,35)24-12-10-23(29)11-13-24/h1-13,25,30H,14-19H2/p+1/t25-/m1/s1/fC27H28F2N3O3S/h30H/q+1 c1ccc(cc1)C[C@@H]2C(=O)N(C3([NH2+]2)CCN(CC3)S(=O)(=O)c4ccc(cc4)F)Cc5ccc(cc5)F C01[X(C27H28F2N3O3S1)] 186 C01 600 Fc1ccc(cc1)CN1C(=O)[C@H]([NH2+]C21CCN(CC2)S(=O)(=O)c1ccc(cc1)F)Cc1ccccc1 Fc1ccc(cc1)CN1C(=O)[C@H]([NH2][C@@]21CCN(CC2)[S@](=O)(c1ccc(cc1)F)O)Cc1ccccc1 O[S](=O)(N1CCC2(CC1)[NH2][C@H](Cc3ccccc3)C(=O)N2Cc4ccc(F)cc4)c5ccc(F)cc5 InChIKey=DDFFFNQEBBPQNS-ZNFWPTJWSA-N InChI=1S/C27H30N3O5S/c1-29(2)13-14-30(27-28-23-21(33-3)11-12-22(34-4)24(23)36-27)25(31)19-15-18-17-8-6-5-7-16(17)9-10-20(18)35-26(19)32/h5-12,15,18,20,27-29H,13-14H2,1-4H3/t18-,20+,27-/m1/s1 InChI=1/C27H30N3O5S/c1-29(2)13-14-30(27-28-23-21(33-3)11-12-22(34-4)24(23)36-27)25(31)19-15-18-17-8-6-5-7-16(17)9-10-20(18)35-26(19)32/h5-12,15,18,20,27-29H,13-14H2,1-4H3/t18-,20+,27-/m1/s1 4145.4740376027 -2022.8032058 1-A 21876.2227 134 466 600 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.31375 -26.40641 -26.39756 -20.67972 -20.66094 -20.65712 -15.85489 -15.74625 -15.71591 -11.50256 -11.50157 -11.45509 -11.43462 -11.42038 -11.40302 -11.40237 -11.39937 -11.38434 -11.38227 -11.38046 -11.36861 -11.36360 -11.36308 -11.36291 -11.35181 -11.34911 -11.34908 -11.34688 -11.34668 -11.34202 -11.34169 -11.33942 -11.33842 -11.33775 -11.33616 -11.33517 -9.28598 -6.97224 -6.97190 -6.97078 -1.72829 -1.71762 -1.58520 -1.56051 -1.51091 -1.45801 -1.39612 -1.38222 -1.28077 -1.27899 -1.27152 -1.24224 -1.19976 -1.18500 -1.17004 -1.15275 -1.14227 -1.13326 -1.13101 -1.12819 -1.08387 -1.06423 -1.04260 -1.01884 -0.99890 -0.96889 -0.96501 -0.95726 -0.95206 -0.93947 -0.93273 -0.91708 -0.90907 -0.88996 -0.86586 -0.85074 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3342.2520 3349.0197 3361.6654 3364.1061 3379.2799 3379.5867 3389.4503 3402.3960 3402.7605 3406.4275 3407.5293 3409.5272 3417.8744 3424.9662 3666.6880 3735.6564 7.6519 7.3180 7.3483 5.2976 4.0318 5.3031 5.1763 5.0411 4.6477 6.3012 4.5748 5.4016 6.1145 6.9167 8.0362 6.5364 6.2634 5.7322 5.0683 4.9075 7.0199 6.7047 6.0160 3.0767 2.9163 4.5955 2.5975 3.4673 4.3390 3.7714 3.0571 2.8767 3.9543 2.9294 3.7850 3.4560 3.0354 3.0640 3.4607 3.9792 4.2470 4.1918 4.2051 3.4471 3.1172 4.6918 4.2831 4.2671 5.6809 3.2424 5.0382 6.3103 7.1032 6.8701 6.2227 3.0274 3.7758 4.5404 4.2663 2.2169 5.7031 3.8601 3.8924 1.6950 1.8614 2.5802 5.1940 3.6260 4.2445 1.2579 1.9627 1.2502 1.7142 1.5693 1.2594 2.5366 3.3399 2.2955 2.0063 1.6221 2.1040 1.3951 1.7686 2.0926 2.6128 1.3611 2.8744 1.3658 1.3474 2.6054 2.1682 1.9671 2.2898 2.5301 1.3784 3.2985 2.0903 3.8189 2.0369 1.8180 1.5999 2.1957 2.3073 3.5026 2.2984 2.0773 1.9417 1.3247 1.4400 1.2165 4.7252 2.1782 2.3766 2.8187 1.5489 1.3069 1.5764 1.5594 4.1600 3.9773 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1.8825 0.2571 2.3100 1.5576 0.5212 9.3450 2.5508 1.3483 9.5968 19.7897 5.0872 24.4740 2.7926 11.3982 17.3441 105.0300 37.5980 1.8336 14.1402 0.1123 3.1388 1.2172 33.8815 18.4225 7.1759 66.9506 8.7943 27.0305 202.2481 50.3421 8.9228 39.4452 5.1609 3.2842 23.5328 15.6751 14.2870 2.3319 16.0075 0.5200 29.4083 66.2259 1.2503 171.1210 8.0429 9.4181 7.4711 19.1910 27.9494 0.2290 3.2417 4.0909 5.8678 0.2540 4.7384 0.0099 0.2204 5.8867 75.3985 60.6669 1.7147 2.6974 1.0345 6.7949 5.4963 45.4591 3.2553 9.3293 5.2602 11.5871 8.3036 159.0609 101.2733 23.6975 41.6950 40.2257 4.4796 1.7759 12.4253 30.6004 13.1910 11.5107 14.6198 29.4446 19.0852 35.0717 160.2370 138.5694 104.4666 86.7135 3.6920 121.6113 84.7580 55.5453 76.8249 15.8488 26.2171 22.1291 4.5725 29.6000 21.9629 85.3261 8.4581 194.7875 33.6651 184.0586 27.2561 18.7136 9.3715 3.0340 13.3973 8.8393 8.7708 6.9540 11.8474 13.0039 86.8498 123.5103 19.4428 3.6588 5.8905 168.4020 0.5507 77.3390 66.5213 455.4248 8.3271 9.6446 6.7518 7.8841 25.3692 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16764.6738 27468.5872 37825.0941 0.99969 -0.02420 0.00567 0.02427 0.99963 -0.01254 -0.00536 0.01267 0.99991 1 0.00517 0.00315 0.00229 0.10765 0.06570 0.04771 17.42 18.81 23.85 35.30 46.20 52.61 57.80 74.80 81.24 105.33 119.40 145.76 163.09 178.39 215.50 250.18 252.55 299.53 303.00 351.69 380.91 424.30 435.39 455.43 475.43 492.66 533.48 543.82 555.82 561.30 583.20 611.20 644.38 655.36 657.65 665.68 672.56 679.78 711.33 722.31 753.58 769.28 782.02 802.43 830.27 852.02 865.08 868.50 904.15 936.70 940.31 977.63 991.50 1002.10 1022.35 1042.36 1064.87 1114.98 1118.48 1124.45 1145.82 1174.18 1206.95 1215.72 1237.36 1270.44 1310.84 1315.38 1325.38 1341.68 1347.72 1352.48 1369.48 1373.13 1384.34 1426.03 1456.41 1465.40 1481.18 1501.39 1513.26 1552.85 1563.36 1563.88 1571.91 1583.29 1596.02 1597.58 1599.37 1601.53 1613.34 1624.83 1625.13 1641.43 1646.91 1659.27 1686.65 1708.65 1711.75 1714.47 1725.80 1766.73 1783.46 1806.50 1811.46 1846.21 1847.30 1851.21 1852.88 1877.25 1882.69 1888.31 1892.43 1898.54 1911.17 1942.91 1973.49 1982.73 2019.62 2030.02 2043.43 2047.75 2061.61 2069.94 2078.32 2090.24 2124.82 2134.72 2138.81 2165.27 2176.67 2181.16 2194.15 2212.01 2217.49 2232.13 2250.46 2254.18 2265.13 2283.09 2332.89 2334.78 2345.52 2352.26 2359.70 2365.87 2387.92 2403.53 2421.40 2447.23 2565.65 2566.37 2576.27 2591.13 2599.46 2614.67 2621.49 2895.37 4640.20 4650.11 4679.61 4695.81 4716.98 4720.02 4731.07 4733.70 4752.91 4753.87 4787.34 4794.18 4808.76 4818.49 4836.69 4840.20 4862.03 4862.47 4876.66 4895.29 4895.81 4901.09 4902.67 4905.55 4917.56 4927.76 5275.55 5374.78 0.559330 0.588089 0.589033 0.493977 -2022.243876 -2022.215116 -2022.214172 -2022.309229 3.188227D-04 MUNgauss RevisionA2.0 retrievium 17-Feb-2020 DUDE c1ccc(cc1)C[C@@H]2C(=O)N(C3([NH2+]2)CCN(CC3)S(=O)(=O)c4ccc(cc4)F)Cc5ccc(cc5)F C36014241 RHF 6-31G(d) (6D,10F) C1 512.181945 |X|Y|Z| 84.937922 112.946839 43.643918 74.811176 31 6 7 16 27 3 1 |36.858105| |13.724354|36.858105| |7.930639|13.769825|36.858105| |6.831839|7.901534|13.675189|36.858105| |7.935914|6.884737|7.951169|13.712045|36.858105| |13.771787|7.946887|6.877910|7.894414|13.722707|36.858105| |4.426549|5.011459|7.538435|12.570078|7.550894|5.008979|36.858105| |3.767763|4.289956|5.971094|7.553184|5.447635|4.078837|12.456359|36.858105| |3.758193|4.522592|6.378514|6.761826|4.777361|3.827800|8.798563|17.618921|0.500000| |2.914966|3.208096|4.100151|4.890231|4.000182|3.157004|7.409713|12.532789|0.247179|36.858105| |2.641417|2.913429|3.678984|4.269425|3.523775|2.832467|6.376014|7.950987|0.184699|16.031722|73.516695| |2.672801|2.857702|3.466734|4.050570|3.564566|2.909695|5.318124|8.139067|0.181253|14.013715|14.821126|53.358707| |2.944418|3.117423|3.705509|4.271564|3.850518|3.200004|5.058501|7.821240|0.185348|8.087210|9.669429|17.790946|36.858105| |3.812809|4.072622|5.118535|6.418946|5.516305|4.260465|7.560635|12.712755|0.253037|8.185454|9.764914|11.444432|12.498837|53.358707| |4.300826|4.617604|5.621402|6.539109|5.716391|4.665386|6.446521|9.046691|0.229907|5.936156|7.824753|8.211666|8.971534|25.689857|0.500000| |3.900268|3.951551|4.821474|6.532483|6.296072|4.645065|7.469780|9.227298|0.182618|6.903667|8.908116|9.726164|9.125467|25.663184|0.328200|0.500000| |2.720378|2.751989|3.109597|3.592094|3.517305|3.020827|3.978734|5.121871|0.123681|5.246523|7.183441|10.232916|12.388837|10.522147|0.184266|0.214144|36.858105| |2.283292|2.316473|2.551951|2.819952|2.757266|2.465630|3.063890|3.808019|0.098097|4.044028|5.927225|7.561139|7.370691|6.758309|0.128595|0.132594|12.403965|36.858105| |2.248890|2.320046|2.532384|2.695641|2.583134|2.357875|2.869114|3.609486|0.098362|3.709341|5.495789|6.538549|6.460573|6.195729|0.125469|0.114488|7.632155|13.060700|53.358707| |2.309231|2.454876|2.742858|2.874327|2.645310|2.383050|3.137284|4.153273|0.117954|4.361695|6.378168|7.704723|7.420183|6.757553|0.134823|0.116761|6.514050|7.859323|17.766004|36.858105| |2.781817|3.023325|3.509454|3.715786|3.289189|2.877314|4.132415|6.079112|0.176739|5.927813|7.948463|10.298383|12.334565|10.497370|0.207841|0.159498|7.432409|6.505776|10.481919|12.425355|36.858105| |2.317412|2.357122|2.486979|2.587487|2.533179|2.395535|2.619694|3.159291|0.087782|3.045088|4.594347|4.949664|4.817830|5.425813|0.118541|0.102346|5.608050|7.144230|15.573294|7.160127|5.721243|388.023441| |2.239940|2.325085|2.436973|2.455086|2.354009|2.251999|2.468894|2.974050|0.085909|2.844014|4.360823|4.455236|4.149704|4.844118|0.107536|0.089065|4.279128|5.017628|10.524798|6.823015|5.423518|94.832084|73.516695| |2.691744|2.676959|2.791740|2.943455|2.960764|2.823929|2.890341|3.426161|0.093404|3.150435|4.688868|5.016599|5.079594|6.226273|0.142702|0.120816|6.216895|6.491964|10.262235|5.555068|5.451039|94.127917|13.696682|73.516695| |1.969780|1.970178|2.049836|2.140759|2.138588|2.048062|2.167899|2.511824|0.068830|2.484094|3.869534|3.980715|3.563424|4.135568|0.087633|0.081414|4.299292|5.734549|9.622901|4.781643|3.868593|77.110725|12.903915|13.053809|36.858105| |1.747273|1.763590|1.838716|1.904428|1.882553|1.801716|1.948534|2.248566|0.062170|2.269883|3.602264|3.607777|3.087748|3.568381|0.074510|0.069801|3.544891|4.711906|7.954408|4.373128|3.409624|49.789702|10.945324|8.751238|13.683388|36.858105| |1.579257|1.581838|1.637232|1.696599|1.692253|1.630959|1.730631|1.956357|0.053819|1.981920|3.193924|3.100860|2.577128|3.052892|0.063362|0.060655|2.950819|3.747403|5.733275|3.358840|2.753875|33.839588|7.672852|6.793048|7.962224|13.831804|36.858105| |1.575957|1.558107|1.599889|1.666948|1.687727|1.638610|1.685055|1.876258|0.051154|1.883864|3.038831|2.924992|2.431933|2.944760|0.061262|0.059503|2.841915|3.489210|5.020423|2.941271|2.520288|30.229623|6.589229|6.616876|6.990680|8.022896|13.755567|36.858105| |1.728804|1.690664|1.728329|1.812995|1.858985|1.812059|1.815183|2.013994|0.054491|1.993931|3.184284|3.100479|2.631657|3.225857|0.067654|0.065925|3.168182|3.817588|5.328115|3.039887|2.676587|33.777734|6.907049|7.917430|7.960514|6.831191|7.854754|13.818946|36.858105| |1.957591|1.919403|1.971873|2.074926|2.121826|2.056442|2.072989|2.339203|0.063265|2.289774|3.590931|3.610416|3.186379|3.857181|0.081858|0.078259|3.946384|4.861140|6.979963|3.735903|3.270330|49.732822|9.026195|11.697288|13.738724|7.869371|6.830759|8.022013|13.764285|36.858105| |1.432328|1.412492|1.444637|1.502419|1.525404|1.487489|1.517640|1.668184|0.045465|1.680312|2.742668|2.575799|2.097368|2.576099|0.053354|0.052344|2.410437|2.866203|4.031941|2.462543|2.152506|23.364557|5.277617|5.293239|4.713250|5.337505|8.204476|14.467424|8.210714|5.331573|97.533100| |2.220774|2.344116|2.749228|3.120487|2.842164|2.399524|3.905108|5.086913|0.123978|7.772423|11.949915|17.622131|7.299164|7.012799|0.115797|0.133309|5.985886|5.343170|6.141076|5.156976|5.572190|23.552896|5.314943|5.699436|2.817879|2.640256|2.301016|2.152159|2.236271|2.545818|4.299408|36.858105| |2.088760|2.149363|2.471837|2.852888|2.711833|2.300356|3.484607|4.121817|0.098572|5.591817|9.214326|10.311488|5.496083|5.887954|0.099335|0.122210|5.510977|4.975847|5.312455|4.005722|4.155688|21.266590|4.681085|5.261296|2.679936|2.505254|2.240234|2.139942|2.236894|2.502235|4.321348|12.561781|36.858105| |2.158106|2.198845|2.539104|3.007654|2.901776|2.420604|3.740354|4.111442|0.095488|5.419687|9.443481|8.476787|4.672680|5.658555|0.095140|0.123780|4.657054|3.958907|4.348568|3.249472|3.518929|18.504623|4.106428|4.734887|2.349945|2.179794|1.979182|1.924766|2.031643|2.251689|3.932614|7.522718|13.671278|36.858105| |1.974000|1.977048|2.230495|2.615496|2.605102|2.222898|3.105052|3.253331|0.077599|3.930552|6.942358|5.916231|3.630381|4.552826|0.079725|0.101364|3.838289|3.412566|3.771522|2.729439|2.872403|16.574669|3.671568|4.260652|2.177463|2.030648|1.881625|1.856622|1.960318|2.131442|3.842678|5.004759|7.889624|13.792319|36.858105| |1.785514|1.781696|1.977039|2.267599|2.272752|1.988201|2.608025|2.778418|0.068082|3.275289|5.698527|5.090169|3.277119|3.987595|0.071578|0.087307|3.619754|3.445625|3.776894|2.662804|2.686034|16.560148|3.643658|4.185697|2.243956|2.117680|1.987864|1.967574|2.060698|2.207121|4.096884|4.451472|6.893189|8.011082|13.786980|36.858105| |1.739631|1.748716|1.937115|2.189835|2.169486|1.913197|2.505118|2.765810|0.068805|3.291175|5.617884|5.371399|3.497804|4.039002|0.072880|0.086201|3.944274|4.018928|4.326503|3.012426|2.918746|18.344265|4.006202|4.510281|2.513219|2.401457|2.244769|2.192179|2.267839|2.430721|4.530999|5.006375|7.879606|6.867951|7.903532|13.848414|36.858105| |1.864985|1.899971|2.133364|2.410569|2.337361|2.038879|2.812589|3.246849|0.080554|4.041446|6.739927|7.096567|4.412101|4.765398|0.084286|0.099068|4.862049|5.012139|5.271461|3.763989|3.611260|21.079965|4.593203|5.089318|2.788804|2.657727|2.413726|2.304875|2.379127|2.613280|4.675996|7.556661|13.730191|7.967698|6.881496|8.022579|13.734430|36.858105| |1.647385|1.629463|1.783209|2.027350|2.059956|1.831829|2.278550|2.369801|0.058845|2.698641|4.735720|4.063714|2.705967|3.388435|0.062133|0.074350|2.990743|2.887105|3.250201|2.273286|2.282317|14.706389|3.258553|3.733918|2.034084|1.930930|1.845628|1.850210|1.934650|2.033998|3.911259|3.400699|4.662396|5.320063|8.179820|14.406517|8.185477|5.318346|97.533100| |17.732346|8.906140|5.644353|4.931768|5.644004|8.920173|3.542289|3.126518|0.087353|2.512599|4.090761|3.190935|2.580135|4.360122|0.099845|0.090820|2.433171|2.090209|2.822710|2.109381|2.479431|15.442388|3.757667|4.467464|1.874282|1.668404|1.519071|1.523406|1.671224|1.877405|3.131136|1.988680|1.884047|1.937612|1.794016|1.641433|1.603358|1.706085|3.438134|0.500000| |8.906520|17.728394|8.934632|5.632728|4.959030|5.650318|4.089688|3.682210|0.111315|2.862809|4.691375|3.503668|2.792642|4.740429|0.109151|0.092282|2.472649|2.135072|2.959644|2.315103|2.799417|15.853081|3.989253|4.427255|1.874104|1.693196|1.522628|1.494594|1.610777|1.817954|3.058533|2.151308|1.964199|1.990336|1.797886|1.635962|1.615763|1.753947|3.381117|0.214729|0.500000| |5.646696|8.944172|17.686148|8.877873|5.643327|4.952481|6.977509|6.041244|0.199449|4.243045|6.919446|4.759306|3.642210|6.520961|0.142409|0.119897|2.969889|2.485295|3.410565|2.787900|3.578856|17.275369|4.313816|4.719014|1.997050|1.813372|1.611143|1.559690|1.667502|1.896079|3.171729|2.789274|2.452990|2.490219|2.168230|1.926587|1.901683|2.111944|3.896770|0.124261|0.216344|0.500000| |5.650769|4.955719|5.641918|8.890575|17.679285|8.930237|6.990163|5.158698|0.119743|4.047627|6.366962|5.005467|3.892430|7.353738|0.145695|0.186918|3.692265|2.851712|3.528320|2.609966|3.188236|17.810690|4.059487|5.200083|2.148165|1.888653|1.706826|1.712429|1.892588|2.151279|3.489440|2.967276|2.923164|3.217682|2.921321|2.510909|2.354226|2.507393|5.121318|0.124273|0.107589|0.123842|0.500000| |8.918518|5.647518|4.955451|5.630865|8.916717|17.727701|4.089474|3.451512|0.089360|2.800026|4.506523|3.598097|2.900982|5.032842|0.110643|0.114276|2.844873|2.354336|3.036592|2.211044|2.601313|16.271470|3.787950|4.819358|1.997982|1.754602|1.603079|1.627719|1.811190|2.039648|3.340980|2.229591|2.181233|2.306385|2.160917|1.949347|1.866002|1.960871|4.088390|0.214830|0.124145|0.107533|0.216076|0.500000| |3.971781|4.180981|5.586449|8.854372|7.261173|4.754931|17.549860|8.870103|0.173617|6.988198|11.123847|7.203742|4.839221|9.198727|0.153949|0.212662|4.043406|3.078996|3.792961|2.965630|3.761547|17.933527|4.145187|4.958332|2.130832|1.914267|1.713889|1.681135|1.816330|2.061500|3.419356|4.017769|3.785992|4.302860|3.579180|2.910634|2.721902|3.011560|5.700479|0.090439|0.096208|0.140797|0.222237|0.113200|0.500000| |3.948824|4.623822|6.847503|8.796181|5.749339|4.233020|17.591976|9.018372|0.217262|6.723801|11.908523|6.359671|4.230543|7.581234|0.137214|0.147981|3.361836|2.710126|3.510050|2.860860|3.659853|16.721569|4.013815|4.504313|1.972446|1.800787|1.609415|1.560387|1.663374|1.878490|3.183343|3.633124|3.220634|3.462323|2.898846|2.441625|2.342748|2.618226|4.835022|0.089997|0.109424|0.199365|0.147789|0.097945|0.304661|0.500000| |2.991894|2.962810|3.271908|3.767647|3.822550|3.351157|3.922760|4.826105|0.118794|4.488819|6.286665|7.714828|8.949693|10.423592|0.207344|0.223189|17.599469|8.981017|9.239601|5.587061|6.517289|43.134752|7.960385|14.254697|4.522139|3.556210|2.964972|2.918661|3.362349|4.317436|5.536900|4.522745|4.267349|3.859990|3.332585|3.150836|3.336345|3.873778|6.072268|0.074453|0.073395|0.084754|0.110555|0.088298|0.109494|0.090718|0.500000| |2.621321|2.615938|2.960803|3.513988|3.521238|2.976889|3.983979|4.840071|0.112533|5.207427|7.346424|9.923392|8.844314|9.119747|0.153079|0.210152|17.585965|8.813548|7.593588|4.943839|5.483626|30.984684|6.158200|8.526107|3.671605|3.118973|2.695057|2.642864|2.937232|3.516022|5.147040|6.249806|6.656369|5.825492|4.776447|4.421244|4.706741|5.719527|7.976938|0.065117|0.064907|0.077983|0.106910|0.078922|0.118593|0.093558|0.301096|0.500000| |2.185436|2.176801|2.351257|2.593647|2.605195|2.372671|2.750298|3.266383|0.084216|3.385720|5.103541|5.936194|5.460106|5.701425|0.111580|0.116912|8.884380|17.632435|12.407866|5.675919|4.889835|49.177798|8.288327|11.760332|6.597435|5.120805|4.171877|4.044389|4.613982|6.022409|7.331578|4.262168|4.277164|3.575145|3.240435|3.363623|3.897410|4.525140|6.515418|0.056187|0.055830|0.062931|0.075499|0.064050|0.077684|0.067760|0.223570|0.209628|0.500000| |2.087018|2.130719|2.362083|2.608769|2.526645|2.248133|2.902605|3.580926|0.092091|4.041454|6.088128|7.722504|6.432233|5.935618|0.109713|0.116799|8.756154|17.630509|12.619029|7.104372|5.671042|38.373062|7.505574|8.486143|4.777777|4.314276|3.558043|3.264913|3.429205|4.095117|6.180594|6.268637|5.971190|4.376526|3.738780|3.883533|4.820906|6.490774|7.135135|0.053159|0.054828|0.064642|0.073020|0.059667|0.081865|0.072698|0.174884|0.215794|0.305487|0.500000| |2.212426|2.369471|2.605902|2.652215|2.435361|2.238132|2.828792|3.633558|0.107092|3.701632|5.602491|6.042419|5.463171|5.660268|0.117660|0.098732|4.865325|5.686830|12.446058|17.692835|8.870510|49.150705|14.570851|9.086226|4.675923|4.467482|3.396624|2.911013|2.952069|3.581862|5.497090|4.107264|3.296505|2.760655|2.369659|2.322410|2.599385|3.145768|4.546604|0.056719|0.063141|0.074383|0.065859|0.057704|0.073427|0.072868|0.124637|0.108178|0.127238|0.145585|0.500000| |2.117226|2.250491|2.530317|2.672747|2.454749|2.195780|2.994316|3.917726|0.109514|4.433125|6.675590|8.048554|6.601372|6.012407|0.114735|0.106557|5.813436|7.187896|12.606832|17.603949|8.746473|38.280015|9.113796|7.750177|4.151860|4.011749|3.193234|2.782993|2.814818|3.332548|5.332665|6.092771|4.515162|3.494901|2.901304|2.857617|3.315420|4.301954|5.418030|0.053788|0.059042|0.071997|0.068052|0.056825|0.079796|0.077205|0.131822|0.132389|0.145698|0.215944|0.303953|0.500000| |2.728134|3.052999|3.622512|3.732666|3.178040|2.770806|4.268585|6.445506|0.207779|6.469817|8.877142|9.958390|8.792160|9.144800|0.177723|0.139570|5.471039|4.899341|7.618995|8.828848|17.569683|31.601590|8.023960|7.500615|3.235784|2.962484|2.450569|2.239028|2.340846|2.777461|4.376568|5.479120|3.930521|3.379242|2.741478|2.536063|2.728302|3.360242|4.867239|0.067369|0.079509|0.107009|0.084411|0.068841|0.104784|0.109167|0.135305|0.124178|0.107872|0.127967|0.212124|0.212347|0.500000| |3.061883|3.332164|3.779769|3.884327|3.470837|3.112889|4.039096|5.629732|0.169854|4.894856|6.789610|7.678000|8.818831|10.194373|0.242828|0.156630|6.507280|5.659854|9.456767|8.974482|17.548584|45.027539|11.075688|11.532817|4.019845|3.437023|2.764584|2.555535|2.756064|3.425260|4.888346|4.299480|3.462869|3.059202|2.575183|2.416947|2.585514|3.081324|4.713240|0.075943|0.085953|0.105508|0.091193|0.077716|0.100365|0.098240|0.183693|0.134817|0.127323|0.130855|0.220368|0.174212|0.302032|0.500000| |1.726036|1.763826|1.851467|1.904087|1.855468|1.766811|1.964371|2.292515|0.064127|2.335188|3.716724|3.712644|3.145807|3.583968|0.074571|0.068954|3.465003|4.590204|8.308591|4.871568|3.610952|47.445000|11.924827|8.034677|8.879910|17.748118|8.949155|5.681103|4.932794|5.617602|9.642643|2.738807|2.536279|2.182471|2.009976|2.084669|2.375352|2.673684|4.247326|0.045639|0.047262|0.051258|0.051409|0.047399|0.053207|0.050786|0.094282|0.084039|0.129169|0.120354|0.145331|0.125560|0.088358|0.099619|0.500000| |1.462689|1.471537|1.523907|1.572185|1.560389|1.504005|1.609953|1.812396|0.050072|1.849996|3.013715|2.869852|2.336419|2.778515|0.057377|0.055066|2.611693|3.253300|4.949752|3.047417|2.505859|27.838364|6.648281|5.683151|5.637889|8.877692|17.755142|8.940725|5.627893|4.933612|16.783327|2.156533|2.098077|1.855764|1.770408|1.876828|2.121974|2.271140|3.941654|0.039150|0.039530|0.041896|0.043663|0.041016|0.044264|0.041933|0.071958|0.067017|0.097671|0.088420|0.086736|0.082352|0.063135|0.069246|0.213324|0.500000| |1.688349|1.634621|1.659232|1.744352|1.808923|1.776943|1.734655|1.895248|0.051048|1.867781|3.000371|2.870246|2.409620|3.017686|0.063259|0.062445|2.888867|3.335905|4.508628|2.654711|2.406612|27.793730|5.815666|6.915639|5.639672|4.933795|5.624737|8.959087|17.755371|8.857634|16.771381|2.065697|2.093753|1.933701|1.889868|1.988052|2.156710|2.221592|4.255790|0.045597|0.043223|0.044228|0.051388|0.049836|0.048489|0.044177|0.085905|0.076014|0.111154|0.084048|0.071326|0.068800|0.059031|0.068973|0.107242|0.124443|0.500000| |2.141712|2.071981|2.115209|2.241280|2.328576|2.270847|2.208789|2.471536|0.066311|2.373949|3.694894|3.717769|3.338024|4.157489|0.089354|0.085682|4.219691|4.841731|6.621639|3.620879|3.335937|47.402937|8.469001|13.698613|8.915635|5.620598|4.933876|5.680652|8.913800|17.763658|9.629496|2.561011|2.530374|2.314607|2.192221|2.241954|2.425364|2.594775|4.651372|0.057058|0.054092|0.055804|0.065749|0.063011|0.061173|0.055006|0.135683|0.104539|0.167165|0.110052|0.094932|0.088650|0.078109|0.099004|0.123857|0.107260|0.212538|0.500000| |2.127380|2.273192|2.682703|3.001022|2.684228|2.272817|3.815336|4.830391|0.121321|7.708702|14.111121|12.694569|5.636451|6.063305|0.102544|0.114478|4.543673|4.146065|5.079874|4.373160|4.755805|20.409966|4.760837|4.929308|2.470996|2.354359|2.076788|1.939972|1.996869|2.241467|3.920061|17.636700|8.887081|6.626659|4.581433|4.016695|4.359816|6.020705|7.096906|0.052987|0.058406|0.077056|0.077082|0.058410|0.107833|0.103077|0.102074|0.130067|0.095718|0.131006|0.102199|0.143076|0.140235|0.105085|0.068394|0.054734|0.051528|0.062449|0.500000| |2.092851|2.208347|2.544041|2.811624|2.581003|2.231204|3.367035|4.365813|0.112249|5.905931|9.134631|12.404850|6.889329|6.284555|0.108980|0.117159|5.968775|6.125417|7.292271|6.338635|6.017185|26.164707|5.918774|6.035365|3.127036|2.980455|2.557857|2.343778|2.402968|2.745484|4.640517|17.644600|8.882709|5.578200|4.178955|4.001187|4.775908|7.317070|7.072858|0.052580|0.056946|0.071976|0.073876|0.057874|0.093964|0.087369|0.124727|0.160436|0.130408|0.216769|0.135592|0.235857|0.160637|0.125305|0.087464|0.066710|0.060771|0.075227|0.304675|0.500000| 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