Version2.1 2021-01-10T23:45:37Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 25-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(c(c(c1Cl)C)S(=O)(=O)NCCC2=c3cc(ccc3=[NH+][C@H]2C)OC(F)(F)F)OC C63515534 RHF 6-31G(d) (6D,7F) Cc1cc(c(c(c1Cl)C)S(=O)(=O)NCCC2=c3cc(ccc3=[NH+][C@H]2C)OC(F)(F)F)OC C01[X(C21H23Cl1F3N2O4S1)] 159 C1 534 COc1cc(C)c(c(c1S(=O)(=O)NCCC1=c2cc(ccc2=[NH+][C@H]1C)OC(F)(F)F)C)Cl COc1cc(C)c(c(c1S(=O)(=O)NCCC1=c2cc(ccc2=[NH+][C@H]1C)OC(F)(F)F)C)Cl COc1cc(C)c(Cl)c(C)c1[S](=O)(=O)NCCC2=C3C=C(OC(F)(F)F)C=CC3=[NH+][C@H]2C InChIKey=RECWPKPDPXPZOQ-ZDUSSCGKSA-O InChI=1S/C21H22ClF3N2O4S/c1-11-9-18(30-4)20(12(2)19(11)22)32(28,29)26-8-7-15-13(3)27-17-6-5-14(10-16(15)17)31-21(23,24)25/h5-6,9-10,13,26H,7-8H2,1-4H3/p+1/t13-/m0/s1 InChI=1/C21H22ClF3N2O4S/c1-11-9-18(30-4)20(12(2)19(11)22)32(28,29)26-8-7-15-13(3)27-17-6-5-14(10-16(15)17)31-21(23,24)25/h5-6,9-10,13,26H,7-8H2,1-4H3/p+1/t13-/m0/s1/fC21H23ClF3N2O4S/h27H/q+1 Cc1cc(c(c(c1Cl)C)S(=O)(=O)NCCC2=c3cc(ccc3=[NH+][C@H]2C)OC(F)(F)F)OC C01[X(C21H23Cl1F3N2O4S1)] 159 C01 534 COc1cc(C)c(c(c1S(=O)(=O)NCCC1=c2cc(ccc2=[NH+][C@H]1C)OC(F)(F)F)C)Cl CO[C]1[CH][C]([C]([C]([C]1[S@@]([O])(=O)NCCC1=[C]2[CH]=[C]([CH]=[CH][C]2[NH][C@H]1C)OC(F)(F)F)C)Cl)C CO[C]1[CH][C](C)[C](Cl)[C](C)[C]1[S]([O])(=O)NCCC2=C3C=C(OC(F)(F)F)C=C[C]3N[C@H]2C InChIKey=UOGQVILUXFTNNC-ZDUSSCGKSA-N InChI=1S/C21H23ClF3N2O4S/c1-11-9-18(30-4)20(12(2)19(11)22)32(28,29)26-8-7-15-13(3)27-17-6-5-14(10-16(15)17)31-21(23,24)25/h5-6,9-10,13,27H,7-8H2,1-4H3,(H,26,28,29)/t13-/m0/s1 InChI=1/C21H23ClF3N2O4S/c1-11-9-18(30-4)20(12(2)19(11)22)32(28,29)26-8-7-15-13(3)27-17-6-5-14(10-16(15)17)31-21(23,24)25/h5-6,9-10,13,27H,7-8H2,1-4H3,(H,26,28,29)/t13-/m0/s1/f/h26H 3875.8939385470 -2371.9927982 1-A 18016.7439 127 407 534 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5.5180 1.8345 3.0105 1.6194 1.2618 1.7107 1.4107 2.8874 1.7203 1.5943 6.5364 1.5433 12.5675 1.4846 3.0895 1.6657 6.0433 1.7449 2.0456 2.3706 3.2455 1.3250 4.7744 1.2855 1.2961 1.2764 4.3407 1.8387 1.7316 1.3570 1.2762 1.0474 1.1198 1.1895 1.1325 1.0819 1.1801 1.0972 1.2670 1.1453 1.6411 1.0933 6.0395 7.6405 5.4505 5.8500 6.0955 1.0837 1.0361 1.0320 1.0357 1.0630 1.0727 1.0473 1.1025 1.1064 1.1050 1.1048 1.1052 1.1050 1.1049 1.0907 1.0971 1.1039 1.0909 1.0991 1.0971 1.0916 1.0769 1.0817 0.0003 0.0011 0.0017 0.0027 0.0059 0.0058 0.0109 0.0100 0.0245 0.0189 0.0227 0.0289 0.0477 0.0545 0.0631 0.0215 0.0288 0.0743 0.0952 0.0525 0.1373 0.1299 0.1201 0.0505 0.0704 0.1395 0.2201 0.2380 0.4158 0.3514 0.2781 0.3384 0.3783 0.5232 0.2428 0.4654 0.3767 0.5755 0.5493 0.8245 0.5620 0.6444 0.4200 1.1590 0.6309 0.3409 0.8239 0.8738 1.0814 0.8383 1.0837 1.2362 0.7386 3.4460 2.6514 1.5011 1.2185 1.3481 3.5820 1.6902 1.3680 1.5716 0.8132 1.2036 1.6550 2.4314 1.8025 0.8353 1.4383 0.8042 3.6920 3.1973 0.8877 1.7970 2.0378 1.5709 4.1865 1.3133 1.5955 1.1726 1.0285 2.0523 1.2710 1.2724 5.0530 2.3541 2.1969 1.9998 5.5045 5.0844 1.7118 2.8589 1.5482 1.2363 1.7848 1.4888 3.1077 1.8900 1.7689 7.4427 1.7802 14.8740 1.7931 3.7626 2.0635 7.5720 2.2039 2.6042 3.1369 4.3987 1.8341 6.6919 1.8509 1.8716 1.8532 6.3288 2.7292 2.5925 2.0978 1.9906 1.6345 1.7559 1.8685 1.7908 1.7115 1.8781 1.7613 2.0351 1.8584 2.6650 1.7765 10.8669 13.7593 10.1697 10.9435 12.4349 6.6038 6.3583 6.3443 6.3757 6.6187 6.6991 6.5603 7.0470 7.1254 7.1168 7.1170 7.1308 7.1877 7.2528 7.1931 7.3079 7.4253 7.4403 7.5584 7.5643 7.5458 9.1881 9.5265 0.9820 0.6132 0.1640 1.1078 0.7109 2.0972 0.9773 0.8754 5.6265 0.8372 6.4509 0.7528 2.7709 1.6636 1.8636 0.7219 0.0444 0.1572 2.2758 0.7085 3.1087 1.5768 1.9402 0.0940 1.2014 0.5197 2.2722 1.4132 4.3180 3.5032 2.5491 0.3945 1.5101 2.7309 18.8358 12.3170 8.1701 3.0986 1.1958 8.6163 15.0649 9.0532 23.8790 11.0655 26.1658 47.0194 13.6421 16.7008 32.2198 5.6014 14.7064 49.5310 21.1259 36.9368 172.1986 51.9554 12.8444 9.6020 7.0762 7.6809 17.0814 7.8995 58.6943 14.2056 11.3044 64.5645 116.2466 58.0399 36.2287 35.7704 8.1066 20.1567 31.8581 0.7283 29.8143 7.9479 13.5223 31.3846 18.3569 15.1726 0.1848 11.0480 5.9070 5.8404 60.3978 129.4696 44.8550 8.2974 147.6955 237.3237 21.0528 2.1072 82.3789 2.7916 4.8752 0.2063 53.3150 56.8986 54.4962 439.1576 143.3906 338.8180 67.9887 226.0753 198.6687 102.4957 81.5929 256.7963 37.4054 290.0258 79.0350 179.3626 12.5943 8.8363 3.1942 219.3169 12.4146 13.7771 198.5713 39.2317 4.6802 14.7102 36.6497 22.8503 10.9952 32.7886 15.5958 78.9298 57.7554 150.6079 56.8489 18.0461 90.9334 197.4972 346.8130 59.2987 4.0478 13.2954 38.1603 11.2313 13.5447 25.4226 5.5175 7.0398 8.8665 24.6408 19.0392 7.8654 10.6195 37.6440 6.6914 5.1738 6.8245 0.1553 0.2642 73.2266 4.8754 56.4328 214.5293 2.1799 1.9091 2.3178 1.4260 1.0020 0.9253 0.2103 0.4717 1.1311 2.6670 0.0700 2.1962 0.9288 0.6902 1.5843 0.8235 0.0898 0.3910 0.9497 0.3293 0.7672 0.3473 3.1648 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68.4160 53.4318 108.7938 0.7481 0.7381 0.7494 0.7437 0.7493 0.7496 0.7393 0.7466 0.7266 0.7462 0.5849 0.7498 0.7004 0.2514 0.4793 0.7170 0.7498 0.3954 0.6813 0.7462 0.5903 0.7158 0.4540 0.7206 0.5259 0.2432 0.2135 0.2419 0.5870 0.1160 0.6152 0.7036 0.6795 0.4168 0.4004 0.5530 0.4917 0.1399 0.6793 0.5827 0.3464 0.1171 0.2214 0.7290 0.7204 0.6699 0.7496 0.1069 0.4295 0.0837 0.7433 0.6517 0.4446 0.5947 0.2580 0.7460 0.0534 0.3946 0.7497 0.1388 0.5747 0.3916 0.3670 0.6815 0.3513 0.6876 0.0603 0.7461 0.5813 0.6678 0.0567 0.1691 0.3417 0.6583 0.2474 0.5639 0.6192 0.2005 0.7359 0.7158 0.7185 0.4521 0.6769 0.7438 0.3398 0.5816 0.2386 0.4687 0.2982 0.1073 0.5373 0.7440 0.5236 0.7479 0.5310 0.4044 0.6948 0.2681 0.1402 0.5967 0.2165 0.6673 0.4123 0.4187 0.6483 0.2634 0.4413 0.3676 0.5687 0.3584 0.3979 0.7055 0.1566 0.7366 0.3506 0.4393 0.2749 0.5012 0.2014 0.1871 0.6982 0.6791 0.6527 0.3107 0.4245 0.1302 0.6870 0.5464 0.1290 0.2061 0.3986 0.6937 0.5265 0.6501 0.3480 0.3630 0.3549 0.0330 0.0075 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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 17 6 16 8 8 7 6 6 6 6 6 6 6 6 6 7 1 6 1 6 8 6 9 9 9 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 34.96885 12.00000 31.97207 15.99491 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 1.00783 12.00000 15.99491 12.00000 18.99840 18.99840 18.99840 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
9277.7545 26792.4593 30950.6930 0.99976 0.02146 -0.00446 -0.02157 0.99943 -0.02598 0.00390 0.02607 0.99965 1 0.00934 0.00323 0.00280 0.19452 0.06736 0.05831 12.53 22.11 27.10 37.52 55.55 67.93 83.95 85.53 111.03 117.15 142.26 149.60 179.71 213.40 233.52 239.57 268.62 274.71 294.38 309.45 326.07 334.96 369.26 380.32 405.32 409.91 446.71 448.87 463.54 466.46 503.23 504.19 521.64 527.93 544.61 593.99 624.46 648.87 664.83 694.71 707.73 711.58 764.43 777.36 787.94 807.30 861.54 869.74 876.99 880.50 896.56 935.75 945.86 979.12 983.05 1005.23 1013.84 1037.37 1104.97 1116.89 1121.07 1148.46 1176.78 1196.00 1201.30 1294.84 1318.76 1335.99 1353.21 1374.53 1439.08 1473.23 1487.19 1501.20 1521.62 1539.77 1556.94 1608.53 1617.39 1634.39 1641.29 1670.90 1674.95 1684.00 1707.42 1708.87 1724.93 1763.16 1773.06 1799.29 1810.64 1826.63 1832.75 1855.44 1914.55 1925.62 1944.60 1964.71 1974.37 2000.16 2013.13 2039.19 2060.01 2068.55 2086.30 2098.16 2106.54 2114.92 2156.21 2182.16 2205.33 2219.13 2249.22 2252.41 2258.56 2263.34 2283.62 2293.49 2330.55 2341.02 2341.50 2347.20 2349.22 2357.01 2357.59 2364.64 2374.89 2375.59 2387.67 2388.65 2389.30 2514.32 2515.39 2560.39 2563.72 2677.23 4627.06 4643.39 4647.61 4650.65 4677.18 4684.29 4691.20 4738.95 4756.77 4756.99 4757.56 4761.25 4780.56 4802.32 4813.68 4837.64 4861.49 4895.16 4915.40 4921.86 4928.32 5475.13 5562.58 0.457034 0.486509 0.487453 0.392391 -2371.535764 -2371.506290 -2371.505345 -2371.600407 3.188395D-04
MUNgauss RevisionA2.0 retrievium 10-Jan-2021 DUDE Cc1cc(c(c(c1Cl)C)S(=O)(=O)NCCC2=c3cc(ccc3=[NH+][C@H]2C)OC(F)(F)F)OC C63515534 RHF 6-31G(d) (6D,10F) C1 491.101917 |X|Y|Z| 113.168471 60.242539 39.752465
64.713903 19 6 7 16 16 2 1
|36.858105| |12.633303|36.858105| |7.630960|13.753732|36.858105| |5.044050|7.917877|13.798565|36.858105| |4.434768|6.832884|7.913449|13.580811|36.858105| |4.967591|7.783573|6.774964|7.791162|13.531724|36.858105| |7.507821|13.698279|7.979840|6.899415|7.973352|13.639152|36.858105| |6.351745|7.097793|4.790289|4.223668|4.740683|6.967034|10.884046|448.794386| |3.770121|4.985950|4.403201|4.939951|7.393481|12.555145|7.558075|50.337905|36.858105| |3.139328|4.175907|4.748962|7.017724|10.721151|6.814569|4.693525|27.678805|5.942985|388.023441| |2.842488|3.639825|4.232611|5.983849|7.212428|5.103821|3.889902|23.851359|4.578077|94.302255|73.516695| |2.828809|3.624537|3.793955|4.916796|7.249773|6.290752|4.318952|27.598110|6.958634|94.782557|13.727878|73.516695| |2.879852|3.673681|4.316821|6.071719|6.987059|4.916079|3.855404|23.643868|4.273490|81.887692|13.662612|13.759863|53.358707| |2.492995|3.046732|3.619101|4.798146|4.912290|3.691948|3.080814|19.630917|3.295299|50.561917|12.183005|9.498453|17.923247|36.858105| |2.125642|2.534825|2.878730|3.617945|3.881871|3.138601|2.624901|17.437018|2.990974|40.790233|10.713447|8.981200|10.355154|12.267275|36.858105| |1.910702|2.225132|2.529959|3.071220|3.147918|2.609900|2.257984|15.263987|2.481034|29.805711|8.460596|6.598009|6.813036|7.521658|12.726585|36.858105| |1.879716|2.175706|2.483455|2.986817|3.005711|2.502954|2.188474|14.818457|2.367581|27.437970|8.423943|5.968103|5.722184|5.772701|7.455977|14.036570|36.858105| |2.003805|2.337865|2.680238|3.251803|3.273470|2.706866|2.353873|15.794390|2.546219|29.668612|10.124750|6.274041|5.608638|5.188484|5.914235|7.449183|13.175989|36.858105| |1.862104|2.128874|2.416611|2.828155|2.795020|2.379907|2.122024|14.487235|2.245963|23.678179|7.707211|5.142818|4.405975|3.861702|4.199307|5.166655|8.027438|14.229177|36.858105| |1.660940|1.864780|2.098034|2.396241|2.348258|2.037027|1.847285|12.822911|1.932808|19.411792|5.916899|4.325137|3.748081|3.296457|3.615796|4.661883|6.915338|7.820585|13.144847|36.858105| |1.586106|1.775735|1.994380|2.275118|2.233629|1.939608|1.760034|12.263379|1.845367|18.613272|5.476264|4.192698|3.741409|3.378189|3.813972|5.294715|7.672704|6.569319|7.722404|14.115112|36.858105| |1.674337|1.896991|2.142383|2.491319|2.469657|2.113303|1.891482|13.056867|2.009214|21.320811|6.222483|4.780388|4.457366|4.253674|5.120043|8.439656|13.242037|7.598951|6.838400|8.087804|13.418411|36.858105| |1.599211|1.802000|2.021251|2.331396|2.319663|2.002532|1.799493|12.516006|1.913190|19.925447|5.537255|4.558471|4.328458|4.139498|5.075297|8.279816|8.446827|5.277353|4.669209|5.266223|7.713419|14.517342|53.358707| |1.486185|1.656593|1.844365|2.093609|2.075191|1.816337|1.649808|11.597264|1.741260|17.411176|4.762281|4.033770|3.749715|3.454252|4.065641|5.826541|5.922010|4.223155|3.958972|4.648942|6.813824|9.283891|26.005215|0.500000| |1.703421|1.941739|2.179473|2.554848|2.582705|2.207886|1.956420|13.509102|2.113797|22.947229|6.175663|5.281395|5.263271|5.284191|7.187623|12.651687|8.165601|5.062425|4.107056|4.148529|5.179987|8.336672|17.825632|0.243399|36.858105| |1.739585|1.976282|2.233292|2.603208|2.585292|2.202564|1.970440|13.564727|2.080386|22.398919|5.849748|5.093498|5.360993|5.449990|6.462780|8.976799|6.302772|4.336212|3.604462|3.635981|4.421721|6.395746|12.454022|0.204909|17.509562|0.500000| |1.568389|1.775290|1.949332|2.253289|2.332102|2.048023|1.814632|12.769803|2.011306|20.639159|5.380453|5.009526|4.611886|4.217553|5.825402|7.436064|5.468754|3.942965|3.331167|3.369340|4.049401|5.580922|10.470347|0.186751|12.422552|0.244915|36.858105| |1.879668|2.133406|2.399944|2.756264|2.715365|2.354123|2.122697|14.592238|2.224424|22.067769|7.177208|4.828555|3.929704|3.257004|3.400878|3.852332|5.170921|7.869654|13.984862|8.223091|5.295829|4.612580|4.772543|0.086316|3.183382|0.080041|2.707401|73.516695| |2.079474|2.387142|2.680013|3.095059|3.075812|2.667654|2.389660|16.274038|2.510560|24.583068|8.291723|5.314752|4.138942|3.285572|3.325333|3.517404|4.394788|6.565697|8.010464|5.284859|3.959654|3.731573|4.078662|0.073975|2.859351|0.073049|2.478016|25.070664|36.858105| |2.078581|2.414068|2.659000|3.114408|3.252494|2.851182|2.488380|17.027012|2.767086|27.164202|9.415615|6.046831|4.374481|3.387588|3.554619|3.627824|4.385065|6.446905|6.717282|4.579741|3.643847|3.594964|4.009061|0.072290|2.893305|0.072848|2.572857|15.400080|14.539809|97.533100| |1.981531|2.227069|2.454694|2.734798|2.700433|2.418479|2.218926|15.434994|2.291982|20.623945|6.541802|4.575752|3.485543|2.703682|2.712690|2.844125|3.417729|4.577959|5.547569|4.313807|3.328793|3.063658|3.455483|0.064201|2.409339|0.062325|2.133778|15.877812|14.675281|20.144285|97.533100| |2.382308|2.780517|3.226347|3.799210|3.632017|3.041641|2.727898|18.017409|2.751154|28.172475|9.786810|5.765696|4.705254|3.713166|3.526559|3.621313|4.395904|6.404089|6.771751|4.657236|3.698030|3.630875|4.042070|0.072893|2.901136|0.075888|2.466095|15.409937|14.524725|20.178544|20.138318|97.533100| |3.901176|5.226903|7.981132|14.241538|8.133371|5.233192|4.648962|26.153183|3.876103|47.570421|11.596381|8.008957|9.161507|5.999180|4.191424|3.624587|3.558246|3.871964|3.301887|2.771175|2.634907|2.918044|3.675015|0.066533|2.954359|0.084398|2.511457|5.577210|3.451710|7.572567|6.667252|9.870415|73.516695| |3.732051|4.553331|6.805018|7.998046|5.222687|3.949663|3.817526|22.845472|3.074709|31.972749|8.214243|6.015488|6.446421|4.711607|3.499825|3.241833|3.268501|3.515658|3.147546|2.724805|2.593527|2.802981|3.533844|0.064929|2.755295|0.079974|2.321586|5.374093|3.247168|6.807180|6.437469|9.313260|24.064136|36.858105| |17.581388|8.872975|5.929794|4.322329|3.980228|4.553506|6.668015|52.499181|3.617429|20.751547|4.616428|4.802416|3.725776|2.359926|2.026897|1.815663|1.768029|1.859832|1.724529|1.551571|1.494500|1.583738|2.078460|0.039568|1.634825|0.046541|1.518908|3.070814|1.890033|4.277315|4.047814|4.802821|6.111145|3.273296|0.500000| |17.582571|8.870782|5.924373|4.312904|3.965669|4.563229|6.688245|52.653820|3.647979|20.626788|4.771812|4.726752|3.542597|2.280158|1.984152|1.798261|1.785275|1.919662|1.802006|1.606981|1.524729|1.596124|2.065646|0.039265|1.604532|0.045179|1.484604|3.273452|2.052888|4.628981|4.462102|5.246380|6.102215|3.288062|0.303043|0.500000| |17.606446|8.889799|7.405976|4.820622|3.990800|4.150197|5.568173|37.513691|3.213903|20.850914|4.827324|4.619346|3.764907|2.454005|2.079156|1.893835|1.873311|1.992493|1.864962|1.673864|1.599448|1.680865|2.184378|0.041535|1.698280|0.048449|1.551756|3.346982|2.067936|4.576326|4.446540|5.367818|7.000248|4.006495|0.301028|0.301022|0.500000| |7.155860|8.992347|17.795973|8.932825|5.632318|4.907117|5.680764|31.844777|3.530447|27.952988|6.530443|5.678639|5.136523|3.343436|2.672550|2.411745|2.389745|2.564348|2.350640|2.068090|1.968821|2.095682|2.693854|0.050475|2.108864|0.060517|1.873234|4.159960|2.580121|5.626100|5.372391|7.011665|12.755605|7.656738|0.154839|0.154871|0.232023|0.500000| |3.273792|4.218142|3.953844|4.610707|6.814510|8.828733|5.728695|38.645990|17.693480|46.204198|9.332686|14.491851|5.893629|3.411051|3.195122|2.645667|2.547654|2.786521|2.443283|2.073621|1.963451|2.136888|2.741616|0.050653|2.219777|0.059812|2.115408|4.320205|2.778441|7.096520|5.659099|6.764435|6.769142|3.010017|0.085896|0.089257|0.079815|0.090186|0.500000| |3.824807|4.780930|3.994667|4.176600|5.561138|8.900314|7.301446|61.421493|17.707929|31.918405|6.643194|8.964161|4.702168|2.786427|2.562693|2.183514|2.106889|2.267838|2.040962|1.774464|1.690344|1.817951|2.358229|0.044163|1.890937|0.051741|1.809248|3.639150|2.310625|5.687507|4.844723|5.643346|5.917576|2.752499|0.103079|0.106668|0.088878|0.091069|0.303076|0.500000| |3.402415|4.339989|3.919930|4.404057|6.304852|8.839809|6.099921|43.469021|17.597990|40.265592|7.458361|13.073683|5.989437|3.331465|3.052500|2.491661|2.327391|2.442864|2.140526|1.863994|1.803897|1.983593|2.607192|0.048517|2.144860|0.058888|2.068667|3.711201|2.308677|5.710144|4.724259|5.630987|6.379796|2.874969|0.093781|0.089775|0.081777|0.089411|0.303956|0.302211|0.500000| |2.742618|3.432773|3.849396|5.029791|5.950264|4.651448|3.685521|23.383346|4.258129|61.342954|10.338462|13.793054|25.917275|9.110151|6.741218|4.483103|3.685942|3.521534|2.838386|2.475012|2.503653|2.974500|4.041122|0.072480|3.661721|0.104399|3.362501|4.529272|2.660433|6.372285|5.137581|6.629866|9.201214|3.924713|0.074033|0.068880|0.072535|0.093893|0.117362|0.095779|0.128944|0.500000| |2.403175|2.874044|3.405297|4.299579|4.211552|3.293125|2.850068|18.456421|2.932368|37.994883|8.866658|7.703085|12.653638|17.586213|8.746438|6.565930|4.997566|4.302733|3.388087|3.030812|3.192936|4.010969|5.599954|0.097337|5.349382|0.169058|4.243396|5.116544|2.853330|6.484243|5.414750|7.194950|9.471431|4.537105|0.063919|0.060572|0.066448|0.089636|0.082323|0.070147|0.083450|0.220523|0.500000| |2.584661|3.164983|3.887286|5.252119|5.018300|3.681471|3.120528|19.627784|3.198486|48.021184|13.584369|8.492556|12.653462|17.697452|8.750127|7.109826|6.356380|6.174949|4.504704|3.712210|3.694854|4.553165|5.686868|0.096448|4.926190|0.139121|3.796357|6.704412|3.819244|8.571374|6.910305|10.166325|13.053472|5.775545|0.066771|0.065854|0.071521|0.101313|0.092501|0.075964|0.086998|0.180490|0.303146|0.500000| |2.154073|2.589819|2.898783|3.668450|4.121294|3.357446|2.740820|18.229175|3.288204|46.819388|13.103179|10.741482|9.788825|8.824516|17.613367|9.067430|6.886051|6.288406|4.385790|3.617775|3.658811|4.672128|5.971836|0.099831|5.582992|0.135310|4.941527|6.445580|3.644218|9.216978|6.600862|8.536077|7.293543|3.346498|0.056798|0.056396|0.057913|0.073589|0.100893|0.077485|0.092356|0.176376|0.173774|0.204216|0.500000| |2.012786|2.373549|2.640987|3.231621|3.505778|2.937748|2.477929|16.784377|2.860698|35.155324|8.467600|8.462679|9.096146|8.771512|17.584565|8.933984|5.607591|4.504719|3.450597|3.100689|3.332969|4.372217|6.339157|0.107696|6.919720|0.179647|6.531996|5.113260|2.813407|6.776607|5.316342|6.621131|6.408268|3.065602|0.054023|0.052141|0.054493|0.068180|0.083800|0.068474|0.083263|0.189720|0.216936|0.173243|0.303014|0.500000| |2.205446|2.628085|3.026830|3.792196|3.917900|3.160723|2.679430|17.651224|2.959733|37.405521|14.582558|7.589464|6.567849|5.800638|6.322280|6.615309|8.716681|17.757854|8.952615|5.551117|4.795669|5.486361|5.839116|0.098105|4.432899|0.108924|3.611232|12.256812|7.012868|17.148892|10.686864|16.594211|7.986996|3.854557|0.056496|0.058663|0.060341|0.078774|0.091550|0.072099|0.077882|0.111064|0.125724|0.195416|0.204718|0.130441|0.500000| |1.578411|1.752418|1.956011|2.194996|2.142042|1.885700|1.730212|12.132586|1.793783|17.252066|5.180289|3.882774|3.287346|2.806882|3.011404|3.691428|4.977950|5.659865|8.851342|17.732646|9.048350|5.691488|5.704149|0.108203|3.390630|0.084708|2.866662|13.930911|5.042995|9.545050|9.989468|9.721164|4.445751|2.495501|0.040935|0.042691|0.044306|0.053895|0.053305|0.046207|0.047882|0.060841|0.072512|0.087054|0.084297|0.073369|0.123853|0.500000| |1.467623|1.625078|1.811283|2.034467|1.991942|1.752462|1.606645|11.314511|1.673167|16.283207|4.671560|3.717461|3.284589|2.905220|3.231056|4.290843|5.499591|4.795558|5.528540|8.979068|17.756814|8.728430|9.208361|0.192104|4.523628|0.110905|3.723464|7.632210|3.330842|6.921213|6.574292|7.025227|4.138119|2.321168|0.038581|0.039260|0.041219|0.049969|0.049134|0.042890|0.045596|0.061950|0.078041|0.086684|0.085694|0.081061|0.104889|0.215475|0.500000| |1.524948|1.725640|1.880912|2.171434|2.273116|2.013534|1.777227|12.581329|2.003782|20.247614|5.378050|4.995271|4.328245|3.837874|5.390243|6.797136|5.491519|4.078480|3.479846|3.517213|4.176082|5.582874|9.452980|0.169733|8.784418|0.172826|17.593883|5.030246|2.575899|6.120811|4.987258|5.636638|4.256869|2.201239|0.040932|0.040371|0.041748|0.049994|0.059234|0.050216|0.056995|0.087202|0.102819|0.097971|0.138175|0.160845|0.103241|0.083161|0.106054|0.500000| |1.618365|1.839626|2.009441|2.329931|2.443470|2.152255|1.894937|13.341640|2.127007|21.844768|5.493069|5.413859|5.010842|4.474476|6.235284|6.648160|4.719482|3.595770|3.004295|2.946291|3.391500|4.471094|7.608755|0.137933|8.800206|0.212827|17.609694|4.444446|2.346386|5.539322|4.564478|5.319134|4.561805|2.336858|0.043783|0.042387|0.044252|0.053246|0.061837|0.052846|0.061612|0.104930|0.126795|0.106644|0.144400|0.223277|0.095384|0.070614|0.086564|0.300167|0.500000| |1.461148|1.635248|1.787763|2.034002|2.082400|1.849436|1.661244|11.801697|1.813683|17.861053|4.622136|4.341193|3.957700|3.524530|4.453647|5.475731|4.446446|3.350827|2.953109|3.083443|3.757074|4.885475|9.484021|0.195833|8.835339|0.212209|17.585950|4.346176|2.228658|5.138785|4.390133|4.984193|4.010028|2.124964|0.039444|0.038465|0.040321|0.048121|0.052575|0.045752|0.051811|0.080623|0.101234|0.089946|0.107451|0.136322|0.084982|0.074442|0.100388|0.300350|0.302606|0.500000| |3.905519|4.597701|6.767775|6.966690|4.699464|3.727069|3.738955|22.732414|2.910050|28.174834|6.843779|5.529431|5.932788|4.247406|3.183022|2.936307|2.889768|3.005094|2.712563|2.414913|2.343028|2.537782|3.278907|0.060996|2.575218|0.076040|2.200198|4.612448|2.742912|5.825780|5.540763|7.540774|16.416183|17.592790|0.096928|0.092839|0.119850|0.231263|0.077421|0.073088|0.076924|0.104655|0.119898|0.135087|0.083394|0.079837|0.089819|0.061869|0.059148|0.057472|0.062053|0.056535|0.500000| |3.924220|4.652516|6.831222|7.077451|4.780125|3.804127|3.801905|23.024940|2.975932|28.401880|7.528306|5.505277|5.334158|3.859893|3.050420|2.879361|2.980494|3.301539|3.061321|2.644623|2.465817|2.593715|3.232450|0.059902|2.467766|0.070551|2.107551|5.426728|3.355793|6.902624|6.822732|9.813125|16.429819|17.599883|0.092714|0.098119|0.119586|0.228316|0.081277|0.075501|0.075806|0.092471|0.101695|0.128834|0.083053|0.074681|0.100466|0.068514|0.061638|0.056215|0.058524|0.053895|0.298338|0.500000| |3.080938|3.642816|4.948917|5.890314|4.398118|3.389068|3.203144|19.921898|2.762241|29.947529|8.078339|5.703322|6.306910|5.087199|3.778722|3.644442|3.741067|3.978257|3.555512|3.095581|2.962402|3.215858|4.013208|0.073197|3.090459|0.090402|2.526272|5.910593|3.456295|7.079739|6.729074|9.932406|16.984591|17.655496|0.076805|0.077140|0.090951|0.148566|0.076552|0.068759|0.072671|0.106063|0.138111|0.184041|0.097961|0.090295|0.117514|0.077803|0.073049|0.066057|0.069662|0.064206|0.300112|0.300291|0.500000|
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