Version2.0 2020-07-17T03:02:28Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 25-Apr-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(ccc2c1NC(=O)[C@]23[C@H]4[C@@H]([C@H]([NH2+]3)CCC(=O)N)C(=O)N(C4=O)c5ccc(cc5)OC(=O)C)Cl C02136472 RHF 6-31G(d) (6D,7F) Cc1c(ccc2c1NC(=O)[C@]23[C@H]4[C@@H]([C@H]([NH2+]3)CCC(=O)N)C(=O)N(C4=O)c5ccc(cc5)OC(=O)C)Cl C01[X(C25H24Cl1N4O6)] 174 C1 592 NC(=O)CC[C@H]1[NH2+][C@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(cc1)OC(=O)C)C(=O)Nc1c2ccc(c1C)Cl NC(=O)CC[C@H]1[NH2+][C@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(cc1)OC(=O)C)C(=O)Nc1c2ccc(c1C)Cl CC(=O)Oc1ccc(cc1)N2C(=O)[C@@H]3[C@@H](CCC(N)=O)[NH2+][C@]4([C@@H]3C2=O)C(=O)Nc5c(C)c(Cl)ccc45 InChIKey=CYEDUMLTSBWXIT-NRGSMNHXSA-O InChI=1S/C25H23ClN4O6/c1-11-16(26)8-7-15-21(11)28-24(35)25(15)20-19(17(29-25)9-10-18(27)32)22(33)30(23(20)34)13-3-5-14(6-4-13)36-12(2)31/h3-8,17,19-20,29H,9-10H2,1-2H3,(H2,27,32)(H,28,35)/p+1/t17-,19-,20+,25-/m1/s1 InChI=1/C25H23ClN4O6/c1-11-16(26)8-7-15-21(11)28-24(35)25(15)20-19(17(29-25)9-10-18(27)32)22(33)30(23(20)34)13-3-5-14(6-4-13)36-12(2)31/h3-8,17,19-20,29H,9-10H2,1-2H3,(H2,27,32)(H,28,35)/p+1/t17-,19-,20+,25-/m1/s1/fC25H24ClN4O6/h28-29H,27H2/q+1 Cc1c(ccc2c1NC(=O)[C@]23[C@H]4[C@@H]([C@H]([NH2+]3)CCC(=O)N)C(=O)N(C4=O)c5ccc(cc5)OC(=O)C)Cl C01[X(C25H24Cl1N4O6)] 174 C01 592 NC(=O)CC[C@H]1[NH2+][C@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(cc1)OC(=O)C)C(=O)Nc1c2ccc(c1C)Cl NC(=O)CC[C@H]1[NH2][C@]2([C@H]3[C@@H]1C(=O)N(C3=O)[C]1[CH][CH][C]([CH][CH]1)OC(=O)C)C(=O)N[C]1[C]2[CH][CH][C]([C]1C)Cl C[C]1[C](Cl)[CH][CH][C]2[C]1NC(=O)[C@@]23[NH2][C@H](CCC(N)=O)[C@@H]4[C@H]3C(=O)N([C]5[CH][CH][C]([CH][CH]5)OC(C)=O)C4=O InChIKey=MDLWWVBSDBMQRM-NRGSMNHXSA-N InChI=1S/C25H24ClN4O6/c1-11-16(26)8-7-15-21(11)28-24(35)25(15)20-19(17(29-25)9-10-18(27)32)22(33)30(23(20)34)13-3-5-14(6-4-13)36-12(2)31/h3-8,17,19-20H,9-10,29H2,1-2H3,(H2,27,32)(H,28,35)/t17-,19-,20+,25-/m1/s1 InChI=1/C25H24ClN4O6/c1-11-16(26)8-7-15-21(11)28-24(35)25(15)20-19(17(29-25)9-10-18(27)32)22(33)30(23(20)34)13-3-5-14(6-4-13)36-12(2)31/h3-8,17,19-20H,9-10,29H2,1-2H3,(H2,27,32)(H,28,35)/t17-,19-,20+,25-/m1/s1/f/h28H,27H2 3988.7288438230 -2087.0280887 1-A 24385.3357 133 459 592 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.92954 -20.70076 -20.69520 -20.68771 -20.68426 -20.62823 -20.61716 -15.86247 -15.75465 -15.75115 -15.67138 -11.51980 -11.50598 -11.50024 -11.48440 -11.46499 -11.45888 -11.44625 -11.43017 -11.42676 -11.42097 -11.40694 -11.39395 -11.38685 -11.38196 -11.38107 -11.38013 -11.37134 -11.35965 -11.35342 -11.34142 -11.34022 -11.33989 -11.32725 -11.32659 -11.30195 -10.66297 -8.13233 -8.12885 -8.12881 -1.57357 -1.56557 -1.55843 -1.54476 -1.49882 -1.48619 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1.83913 1.84913 1.85931 1.86277 1.87635 1.88644 1.90461 1.90669 1.91614 1.91793 1.92990 1.93533 1.94516 1.94647 1.95475 1.96192 1.96929 1.97507 1.98755 1.99327 1.99786 2.00188 2.00892 2.01158 2.01595 2.02544 2.03275 2.03605 2.04137 2.05670 2.05756 2.06410 2.06723 2.07152 2.07989 2.09196 2.10317 2.10604 2.11953 2.12410 2.13337 2.14999 2.15299 2.15672 2.16557 2.16788 2.18253 2.18822 2.19304 2.20502 2.21472 2.21894 2.22676 2.23096 2.23573 2.24346 2.24639 2.26479 2.27689 2.29106 2.30331 2.31751 2.31875 2.32859 2.33296 2.34028 2.34600 2.35068 2.35806 2.36841 2.37861 2.38768 2.38936 2.40401 2.41654 2.42231 2.43388 2.43924 2.45103 2.46731 2.47365 2.47793 2.48945 2.49536 2.50275 2.51217 2.51685 2.52783 2.53493 2.53912 2.54578 2.55232 2.55466 2.57795 2.58338 2.60178 2.61807 2.62364 2.64239 2.64820 2.65825 2.67693 2.68111 2.69636 2.70898 2.71425 2.73276 2.74256 2.75530 2.77047 2.77368 2.78864 2.79551 2.82083 2.83918 2.85339 2.85410 2.86635 2.87304 2.87683 2.89200 2.89657 2.90451 2.91082 2.91915 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0.4461 0.4910 0.6870 0.5173 0.5356 0.7463 0.5625 0.6533 0.8545 0.8190 0.8570 0.8494 0.8405 0.8562 0.4062 0.6945 0.6348 0.8216 0.8406 0.7764 0.6477 0.8566 0.8378 0.8525 0.8551 0.7455 0.8336 0.8524 0.7827 0.6113 0.4407 0.2114 0.8567 0.8552 0.2938 0.7434 0.2519 0.8143 0.7411 0.8487 0.2013 0.4285 0.2953 0.3030 0.3413 0.4812 0.7774 0.5079 0.6069 0.8560 0.8380 0.0682 0.6524 0.4993 0.6528 0.3557 0.8265 0.7913 0.7982 0.1755 0.3157 0.5231 0.8258 0.8441 0.8562 0.5995 0.7238 0.7706 0.3241 0.3035 0.7540 0.7866 0.7801 0.8036 0.8216 0.7717 0.8180 0.6749 0.8359 0.5673 0.8075 0.4202 0.2239 0.3825 0.2275 0.5701 0.4136 0.3613 0.1672 0.8537 0.4272 0.8491 0.1624 0.8240 0.3290 0.3519 0.5434 0.8563 0.8559 0.7325 0.8355 0.8396 0.4750 0.6331 0.8485 0.5119 0.8546 0.4116 0.5860 0.6997 0.8384 0.5239 0.8530 0.8571 0.7921 0.8355 0.3815 0.7895 0.8555 0.6382 0.7760 0.8404 0.8422 0.7215 0.6656 0.7859 0.7219 0.8238 0.5242 0.8070 0.5884 0.2022 0.0665 0.0123 0.1402 0.5734 0.5746 0.5256 0.8571 0.8552 0.7349 0.8316 0.3780 0.7875 0.5530 0.7983 0.7697 0.3292 0.2871 0.3679 0.1734 0.8352 0.2842 0.3448 0.8285 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 6 6 6 6 6 6 6 7 6 8 6 6 1 6 1 6 1 7 1 1 6 6 6 8 7 6 8 7 6 8 6 6 6 6 6 6 8 6 8 6 17 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 1.00783 12.00000 1.00783 12.00000 1.00783 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 15.99491 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 34.96885 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 17746.1331 29233.4625 43630.7844 0.99982 0.01879 -0.00340 -0.01877 0.99981 0.00614 0.00352 -0.00607 0.99998 1 0.00488 0.00296 0.00199 0.10170 0.06174 0.04136 19.72 25.29 30.97 34.07 43.12 46.62 51.25 69.62 85.81 92.97 120.59 132.18 139.57 160.01 162.24 185.77 198.35 213.63 226.46 234.99 242.73 250.50 311.87 339.98 357.09 374.22 379.86 381.71 410.90 433.95 467.10 477.14 540.24 558.82 583.54 588.91 628.40 630.62 667.83 686.72 716.55 744.15 775.81 797.05 803.98 818.21 829.40 851.56 864.99 885.10 916.34 939.76 952.23 959.78 968.41 990.15 999.83 1010.23 1021.15 1068.95 1103.88 1132.78 1146.49 1176.67 1194.35 1204.15 1229.83 1253.88 1279.67 1289.93 1294.89 1331.18 1342.50 1345.82 1358.60 1371.12 1414.91 1426.01 1458.48 1469.96 1505.83 1545.06 1559.26 1567.55 1570.06 1579.52 1607.24 1619.04 1626.40 1645.66 1659.40 1667.00 1671.12 1698.82 1721.85 1725.86 1738.16 1755.71 1770.60 1805.32 1839.37 1847.56 1856.75 1859.72 1868.74 1897.42 1926.83 1955.65 1960.10 1985.95 1993.51 1995.21 2009.36 2017.85 2043.45 2058.81 2090.27 2102.84 2119.05 2149.42 2165.75 2183.49 2196.83 2214.35 2235.32 2249.06 2251.16 2265.55 2271.78 2288.91 2309.34 2316.10 2326.67 2327.76 2337.00 2355.31 2362.11 2368.87 2437.18 2563.90 2578.32 2590.99 2607.82 2612.02 2615.19 2835.86 2889.53 2896.04 2944.64 2985.25 4632.70 4649.44 4653.83 4669.34 4700.48 4703.23 4713.29 4745.86 4748.98 4750.83 4756.42 4799.06 4818.65 4870.73 4877.34 4899.26 4906.14 4923.60 4934.85 5275.68 5376.00 5514.72 5578.85 5701.11 0.506253 0.537600 0.538544 0.437531 -2086.521836 -2086.490489 -2086.489545 -2086.590558 3.387993D-04 MUNgauss RevisionA2.0 retrievium 17-Jul-2020 DUDE Cc1c(ccc2c1NC(=O)[C@]23[C@H]4[C@@H]([C@H]([NH2+]3)CCC(=O)N)C(=O)N(C4=O)c5ccc(cc5)OC(=O)C)Cl C02136472 RHF 6-31G(d) (6D,10F) C1 511.138437 |X|Y|Z| 121.219738 92.842404 32.731957 71.685375 22 6 7 19 3 |36.858105| |12.616303|36.858105| |7.477070|13.614193|36.858105| |4.966048|7.776270|13.758223|36.858105| |4.372919|6.692479|7.940242|13.758186|36.858105| |4.961401|7.793946|6.963608|8.023501|13.817832|36.858105| |7.488412|13.791905|8.142523|6.964435|7.936690|13.679920|36.858105| |6.226116|7.629817|5.157019|4.615082|5.312300|8.335826|13.529870|53.358707| |4.349214|5.274143|4.148359|4.083143|5.083419|8.002090|8.340286|19.300087|36.858105| |3.585312|4.035818|3.306608|3.262006|3.913217|5.400850|5.538076|11.327890|15.988366|73.516695| |3.908703|5.168088|4.514392|4.959814|7.226895|12.623106|8.099454|11.106933|12.291000|13.982137|36.858105| |3.185778|3.951296|3.615754|4.010130|5.464462|7.129499|5.364741|7.572084|7.609685|11.375007|12.376981|36.858105| |3.282124|3.948556|3.510294|3.722548|4.744828|6.170192|5.264049|7.849115|7.455148|11.454084|8.840343|17.575699|0.500000| |2.645308|3.126860|2.891149|3.164074|4.070089|4.917337|4.012620|5.935054|6.066220|11.005652|7.741628|12.468581|0.242504|36.858105| |2.564322|2.936170|2.657165|2.815180|3.475996|4.240954|3.721269|5.828507|6.018207|12.425904|6.324733|8.657300|0.218341|17.664824|0.500000| |2.616736|3.117832|2.924541|3.247002|4.213697|4.973211|3.972274|5.718202|5.746064|10.317013|7.558349|7.755752|0.156812|12.330151|0.242910|36.858105| |2.411054|2.878860|2.797283|3.191770|4.130224|4.500099|3.538911|4.845993|4.507726|7.820343|6.039741|6.395766|0.132362|8.758640|0.176441|17.602737|0.500000| |3.217779|4.033215|3.724500|4.178729|5.770957|7.487671|5.484007|7.581998|7.762558|11.818417|12.507403|7.957825|0.160370|7.839299|0.172828|12.410300|0.253151|53.358707| |3.279846|3.991894|3.588956|3.852502|4.957789|6.413161|5.333634|7.811495|7.871049|12.802545|9.073308|5.964115|0.133948|6.113572|0.151767|9.065995|0.190912|25.661474|0.500000| |3.130912|3.993387|3.893807|4.603748|6.554595|7.389354|5.161812|6.512284|5.862537|8.869046|9.125686|6.442775|0.134239|6.087469|0.134954|9.014429|0.243825|25.711379|0.328646|0.500000| |2.372555|2.713130|2.515429|2.697500|3.293881|3.832965|3.338698|5.003475|4.859991|9.759673|5.233034|5.068795|0.117693|7.285183|0.198786|12.490279|0.245995|10.354914|0.216856|0.169393|36.858105| |2.011377|2.254410|2.122814|2.273082|2.702218|3.020681|2.679671|3.958452|3.638630|7.269854|3.873699|4.096751|0.099540|5.928732|0.170598|7.494521|0.190310|6.679666|0.133760|0.120040|12.464314|36.858105| |1.840297|2.017014|1.896357|1.996973|2.305931|2.552383|2.342486|3.477076|3.078682|6.212521|3.119100|3.161016|0.079739|4.111894|0.121521|4.923101|0.127825|5.197328|0.110284|0.096144|7.629518|12.498438|36.858105| |1.884880|2.053037|1.922402|2.007661|2.297062|2.548345|2.371700|3.530541|3.086470|6.225397|3.060487|2.961846|0.074912|3.671112|0.107222|4.523386|0.116192|5.165246|0.114946|0.096263|7.024669|8.006115|15.888953|73.516695| |1.646995|1.785575|1.688611|1.771997|2.017765|2.202861|2.041277|3.010902|2.604577|5.201788|2.630246|2.733927|0.070540|3.470662|0.103414|3.844736|0.102880|4.178016|0.086890|0.078669|5.129490|7.858038|14.166442|15.110741|53.358707| |2.274835|2.654996|2.546813|2.833621|3.544769|3.912142|3.226129|4.541561|4.168565|7.411222|5.196249|7.927861|0.179263|12.526632|0.245089|7.584204|0.210763|7.195359|0.119759|0.131661|5.348523|5.265317|3.718386|5.728569|4.528854|36.858105| |2.004560|2.287509|2.202549|2.419821|2.924620|3.166724|2.707707|3.840923|3.436589|6.318987|4.005327|5.372359|0.132083|7.894356|0.195343|6.017448|0.173492|5.760875|0.101381|0.107715|4.975228|5.624668|3.968208|5.876730|5.039605|16.102909|73.516695| |2.364723|2.815062|2.775176|3.180464|4.039500|4.235728|3.377952|4.514819|3.946941|6.585477|5.214362|8.114017|0.183201|8.120980|0.165861|5.893294|0.174576|6.683809|0.109370|0.130408|4.165595|3.930971|2.990831|4.784473|3.685778|13.767538|14.774732|53.358707| |2.830681|3.511189|3.457138|4.056134|5.505159|5.888050|4.367314|5.603632|4.863256|7.522545|7.191967|12.438265|0.251459|7.924901|0.160423|5.941427|0.164424|7.913653|0.124688|0.154435|4.066420|3.556261|2.783830|4.599068|3.369866|8.238763|9.828565|18.759192|36.858105| |2.947727|3.728353|3.852173|4.723221|6.370040|6.010999|4.439514|5.319953|4.269422|6.444745|6.055511|7.836578|0.187598|5.373081|0.119442|4.564961|0.129501|6.604591|0.108516|0.137214|3.350479|2.954430|2.404445|4.041039|2.941566|5.534167|7.482475|11.337593|16.107344|73.516695| |2.076848|2.428919|2.454994|2.817600|3.406795|3.378550|2.789598|3.668055|3.059149|5.149271|3.817380|5.101475|0.126830|5.100069|0.117009|4.240810|0.130493|5.016592|0.086048|0.102152|3.297240|3.263821|2.595340|4.162412|3.298116|7.664847|11.720307|18.045766|7.688795|11.791582|36.858105| |1.886174|2.189650|2.240253|2.582196|3.069743|2.975788|2.475812|3.242612|2.683970|4.566435|3.302380|4.056411|0.099500|4.279169|0.100046|3.943443|0.128446|4.616286|0.080538|0.096863|3.178592|3.240257|2.606074|4.169257|3.340591|6.049421|10.474309|10.629858|5.448169|8.836824|13.766383|36.858105| |1.695009|1.938230|2.000469|2.282491|2.617534|2.503788|2.139756|2.794685|2.259751|3.860148|2.689267|3.176289|0.080860|3.279491|0.080080|3.071667|0.097085|3.721965|0.066783|0.078391|2.600410|2.680639|2.245394|3.626818|2.938821|4.279169|7.722222|6.994817|4.052449|7.001549|7.953049|13.794213|36.858105| |1.656764|1.878326|1.939414|2.188699|2.462883|2.358098|2.050124|2.676314|2.131936|3.632680|2.492214|2.955378|0.077812|2.952110|0.073611|2.686751|0.081860|3.335061|0.060384|0.069459|2.297600|2.346844|1.997660|3.250387|2.632147|3.744660|6.658739|6.195505|3.759289|6.716256|6.931442|7.989592|13.759047|36.858105| |1.780310|2.021252|2.072029|2.324341|2.623983|2.541125|2.215858|2.898412|2.303819|3.902881|2.689398|3.289240|0.088843|3.180556|0.079545|2.772172|0.082282|3.473253|0.062548|0.071256|2.339233|2.353923|1.991636|3.245348|2.609907|4.040927|6.936326|7.002547|4.293776|7.753072|7.975140|6.882106|7.912619|13.785136|36.858105| |2.003857|2.308643|2.338554|2.638374|3.074272|3.034702|2.592875|3.405362|2.757388|4.637385|3.299622|4.295871|0.115554|4.067180|0.099073|3.363078|0.098917|4.163535|0.073392|0.084214|2.734852|2.708756|2.232551|3.619257|2.882357|5.431634|8.744066|10.638354|6.063673|10.466579|13.786889|7.929938|6.854192|7.968875|13.774897|36.858105| |1.496477|1.674501|1.734040|1.934879|2.127621|2.032113|1.800046|2.352937|1.850553|3.168809|2.117534|2.440614|0.065101|2.438510|0.062070|2.259191|0.068110|2.842478|0.052341|0.059271|1.984046|2.036833|1.775216|2.908946|2.364768|2.966152|5.349407|4.669611|2.971527|5.371613|4.628273|5.214519|7.908016|13.908965|8.123477|5.266654|73.516695| |1.437286|1.606580|1.682440|1.884755|2.045961|1.924444|1.708421|2.213163|1.724952|2.940868|1.972571|2.214292|0.058676|2.198279|0.055901|2.089947|0.063348|2.671702|0.049509|0.056414|1.848753|1.884423|1.661503|2.749184|2.207546|2.596866|4.639362|4.049711|2.664094|4.900151|3.816363|4.404037|6.333193|8.039992|5.534867|4.101197|25.054504|36.858105| |1.490934|1.679608|1.777278|2.016601|2.190868|2.027839|1.783139|2.286340|1.779358|3.011951|2.059074|2.282376|0.059671|2.252242|0.056633|2.180177|0.066901|2.812940|0.051955|0.060223|1.914506|1.932264|1.699673|2.827109|2.237864|2.635613|4.642361|4.151697|2.769376|5.159707|3.870412|4.618466|6.503344|7.024837|4.985459|3.961819|15.190956|16.129851|73.516695| |1.302096|1.437103|1.499714|1.656220|1.771664|1.678486|1.514613|1.973491|1.526871|2.618917|1.714034|1.901632|0.051008|1.892243|0.048894|1.802938|0.053928|2.317220|0.043466|0.048644|1.624623|1.663063|1.490470|2.476639|1.998281|2.190344|3.945801|3.323915|2.222866|4.072161|2.989963|3.314322|4.329236|5.221380|4.169108|3.237676|14.456115|12.698014|14.122191|36.858105| |6.235860|7.044744|10.998369|7.127164|4.796303|4.264613|4.823485|4.989835|3.057469|4.592581|3.201274|2.734169|0.074915|2.291263|0.059532|2.315860|0.062398|3.809795|0.076220|0.081203|2.056912|1.783878|1.625710|2.938681|1.998831|2.079174|3.276829|3.063391|2.680153|5.284102|2.059582|1.911287|1.749987|1.715538|1.819096|1.999476|2.780209|1.534584|2.877855|1.387176|448.794386| |17.580769|8.858421|6.601846|4.539223|3.925438|4.276578|5.892222|6.899053|3.782676|5.718495|3.447200|2.813862|0.078981|2.406951|0.064859|2.437979|0.062949|4.065507|0.086095|0.081934|2.250400|1.913946|1.773817|3.261307|2.161495|2.086100|3.304064|2.931149|2.530180|4.665609|1.910674|1.761368|1.592441|1.549727|1.647481|1.835029|2.504197|1.362015|2.519063|1.238599|50.669487|0.500000| |17.605404|8.813586|5.532119|4.132381|3.911750|4.684541|7.119148|9.788629|4.782419|7.133444|3.968451|3.252945|0.094984|2.731951|0.075103|2.672060|0.067236|4.419828|0.093316|0.085325|2.459398|2.080682|1.911832|3.486362|2.327383|2.314367|3.636111|3.215290|2.800372|5.053075|2.055786|1.858863|1.665189|1.627266|1.753331|1.982303|2.610611|1.401794|2.570349|1.272544|37.014105|0.302184|0.500000| |17.594335|8.874903|6.707868|4.578965|3.936875|4.259690|5.828668|6.750764|3.699881|5.555478|3.423418|2.930409|0.085148|2.434695|0.065632|2.367533|0.061265|3.849417|0.078686|0.076885|2.142638|1.850502|1.694508|3.062280|2.086226|2.141010|3.371732|3.063417|2.678338|5.038920|2.007130|1.817621|1.649370|1.629810|1.761078|1.968321|2.631514|1.422877|2.616016|1.294601|52.189364|0.302586|0.303134|0.500000| |4.073859|5.591286|8.950076|17.769629|8.913693|5.681690|5.003879|4.986983|3.345188|4.937584|4.008054|3.435618|0.088740|2.809371|0.069590|2.895857|0.081032|4.857736|0.091686|0.110839|2.437674|2.097897|1.856610|3.312362|2.262491|2.600391|4.009126|4.007597|3.629291|7.632015|2.699888|2.521972|2.269760|2.183346|2.293611|2.549774|3.463813|1.923872|3.694294|1.691916|54.946827|0.107322|0.095501|0.108513|0.500000| |3.509482|4.861549|5.658697|8.953972|17.758244|8.858899|5.625214|5.845656|4.394676|6.324502|6.431640|5.445604|0.126014|4.203209|0.096788|4.423903|0.127409|7.804536|0.131227|0.193408|3.363604|2.803900|2.360503|4.134628|2.818264|3.835233|5.595624|6.186514|6.158139|13.211341|3.888599|3.557253|2.988546|2.761182|2.903958|3.409477|4.183909|2.272432|4.388273|1.936436|31.861508|0.089539|0.089282|0.089958|0.215682|0.500000| |6.606448|6.709424|4.548288|3.922511|4.246550|5.877740|8.867911|26.021975|9.313452|12.974720|5.789780|4.429076|0.130713|3.702054|0.104471|3.575418|0.085229|6.073893|0.131865|0.108658|3.290080|2.667919|2.406424|4.382827|2.865184|2.918721|4.503558|3.905276|3.427837|5.825284|2.387669|2.131484|1.863426|1.795986|1.939913|2.246891|2.837186|1.504391|2.750794|1.353573|27.853258|0.150290|0.245007|0.144197|0.089352|0.098252|0.500000| |2.500017|2.811389|2.536030|2.648545|3.185135|3.836047|3.493102|5.526124|5.543975|12.417678|5.290457|4.970457|0.121277|6.743652|0.209749|8.889924|0.174112|9.414806|0.216153|0.147905|17.581597|8.838248|6.874602|12.050680|6.566555|4.726977|7.767495|5.117604|3.789216|5.614181|2.988092|2.814055|2.344937|2.118977|2.188636|2.556309|3.280788|1.717229|3.140297|1.522855|16.644158|0.065631|0.073414|0.062282|0.065776|0.087517|0.102645|0.500000| |2.335418|2.666369|2.500696|2.687372|3.237845|3.672939|3.219501|4.706362|4.355266|8.385000|4.695255|4.258187|0.099923|5.410518|0.143169|8.889537|0.213434|9.687205|0.222870|0.173792|17.578369|8.944956|7.216557|13.776400|6.549729|4.301223|7.189616|4.891040|3.579063|5.454635|2.955301|2.923577|2.436515|2.146640|2.157443|2.474820|3.332230|1.771224|3.288057|1.562075|16.544084|0.062520|0.066644|0.058270|0.067956|0.091992|0.086739|0.303089|0.500000| |1.909737|2.154749|2.068414|2.249504|2.675423|2.900216|2.529654|3.626809|3.251357|6.215242|3.613593|3.872115|0.092840|5.412518|0.143801|6.910691|0.207165|6.247757|0.120779|0.118623|8.786994|17.524511|8.957722|11.347215|9.356322|5.364548|10.615627|5.563485|3.574329|5.320878|3.496957|3.626289|2.975149|2.535335|2.487897|2.835509|3.894284|2.032295|3.726494|1.779363|14.032227|0.050628|0.054217|0.049105|0.058387|0.078904|0.067571|0.172955|0.210210|0.500000| |1.981517|2.207500|2.067152|2.200327|2.607160|2.933640|2.625170|3.922674|3.616885|7.345235|3.789514|4.257322|0.106407|6.438996|0.202345|6.688747|0.165481|6.063672|0.118513|0.107613|8.752579|17.579997|8.846815|10.727754|9.922527|5.954891|12.095564|5.700342|3.676147|5.343479|3.451682|3.338122|2.757012|2.443704|2.485204|2.889229|3.753351|1.924905|3.467135|1.701355|13.974910|0.051918|0.057276|0.051028|0.056346|0.074812|0.073741|0.211579|0.173783|0.304640|0.500000| |1.601413|1.739412|1.651637|1.739995|1.983899|2.154448|1.986083|2.914458|2.517389|4.986492|2.572613|2.751099|0.071339|3.525678|0.105124|3.747793|0.101799|4.009492|0.081478|0.075717|4.694636|7.347036|9.240050|10.792138|26.096770|3.528596|7.280521|3.859294|2.531684|3.909640|2.565813|2.608093|2.298080|2.055173|2.033262|2.241484|3.277157|1.706842|3.055695|1.544169|11.544127|0.042685|0.046092|0.041649|0.045473|0.056893|0.056417|0.121281|0.118251|0.191523|0.215276|0.500000| |1.555067|1.669927|1.580818|1.648177|1.854115|2.013086|1.887876|2.779711|2.363068|4.697408|2.358084|2.414836|0.062925|2.962376|0.087869|3.263503|0.087643|3.701270|0.077904|0.070424|4.227413|5.698203|9.432011|13.631334|26.033345|2.835748|5.519322|3.230636|2.199763|3.464893|2.152096|2.184600|1.952551|1.763388|1.745407|1.907189|2.847447|1.505232|2.711656|1.373747|11.145155|0.041899|0.044865|0.040262|0.043109|0.052599|0.054522|0.113717|0.114769|0.143868|0.147671|0.309580|0.500000| |1.892581|2.203387|2.249215|2.600912|3.125135|3.041788|2.509071|3.297366|2.763388|4.730721|3.429564|4.087116|0.097234|4.527194|0.104239|4.466527|0.155135|5.056179|0.087854|0.107647|3.584969|3.688929|2.913038|4.633107|3.688651|6.261340|11.064462|9.756245|5.191549|8.184093|8.911313|17.734513|8.954126|5.672407|4.958072|5.643540|7.476171|3.771597|7.205030|2.943289|15.330094|0.049421|0.051859|0.050175|0.070336|0.101345|0.060075|0.085478|0.092398|0.119335|0.102785|0.079705|0.066454|0.500000| |1.585665|1.802032|1.866105|2.122429|2.405110|2.290394|1.973522|2.578811|2.075463|3.564304|2.442175|2.795985|0.071085|2.923202|0.072222|2.836448|0.090342|3.450361|0.062738|0.073318|2.462344|2.566124|2.186882|3.544603|2.883053|3.674227|6.768712|5.671907|3.423613|5.938907|5.654398|8.925273|17.783431|8.916043|5.640909|4.947369|12.713509|6.608255|12.735699|4.546079|13.244071|0.041717|0.043220|0.042798|0.059083|0.076055|0.048051|0.061415|0.065105|0.080137|0.072285|0.062545|0.053546|0.215549|0.500000| |1.711722|1.920682|1.968203|2.178441|2.408838|2.336650|2.078069|2.722328|2.133010|3.618778|2.437559|2.928506|0.081064|2.796862|0.071427|2.443803|0.071318|3.111883|0.056754|0.063586|2.098580|2.107037|1.812146|2.972220|2.388445|3.408695|5.874460|5.665737|3.676914|6.766715|5.655163|4.959548|5.648407|8.962722|17.750978|8.892327|13.304293|5.249329|8.059705|4.248932|14.071342|0.043987|0.046839|0.047459|0.059939|0.072765|0.051075|0.055258|0.054001|0.061154|0.061861|0.051556|0.044711|0.107658|0.124410|0.500000| |2.121110|2.434314|2.436400|2.706641|3.134627|3.156611|2.739126|3.621394|2.910029|4.871418|3.423247|4.553379|0.129634|4.107763|0.102213|3.278885|0.093062|4.143500|0.073413|0.082360|2.676557|2.612479|2.167585|3.534436|2.792538|5.180293|8.099093|9.756835|6.250476|10.915195|8.914085|5.641882|4.943902|5.661694|8.929740|17.738824|7.565966|3.445824|5.905128|2.850564|16.661383|0.053374|0.058569|0.058262|0.071778|0.093919|0.066446|0.070957|0.066852|0.074205|0.078076|0.060038|0.051486|0.124092|0.107457|0.214119|0.500000| |1.249304|1.373117|1.422116|1.561363|1.676047|1.604379|1.452687|1.908885|1.484014|2.565285|1.654769|1.840185|0.049426|1.857591|0.048336|1.769378|0.052847|2.250608|0.042368|0.046988|1.610002|1.667725|1.501106|2.483334|2.029937|2.159822|3.955982|3.216027|2.124500|3.829116|2.872050|3.204155|4.161553|4.865860|3.890281|3.074053|13.054959|8.956834|10.946946|17.582138|10.542511|0.033044|0.034074|0.034421|0.044022|0.050642|0.036468|0.041917|0.042925|0.049671|0.047574|0.043806|0.038806|0.079876|0.123663|0.109189|0.075377|0.500000| |1.260429|1.388832|1.457310|1.610069|1.708479|1.607954|1.454569|1.887491|1.453125|2.487853|1.628622|1.781839|0.047647|1.768540|0.045700|1.706746|0.051115|2.212418|0.041685|0.046714|1.545350|1.575226|1.421539|2.376386|1.902614|2.017556|3.616913|3.045263|2.066295|3.806739|2.679763|2.980190|3.769970|4.265010|3.499413|2.838279|10.380672|8.990853|13.224774|17.651611|10.903677|0.033455|0.034109|0.034819|0.046011|0.051870|0.036023|0.040236|0.041592|0.046831|0.044423|0.040631|0.036482|0.075320|0.112605|0.097945|0.070250|0.298282|0.500000| 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