Version2.1 2021-01-18T21:12:23Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 10-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)C[NH2+]CCN(c2ccc(cc2)Cl)S(=O)(=O)c3ccc(c(c3)OC)OC C16292414 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)C[NH2+]CCN(c2ccc(cc2)Cl)S(=O)(=O)c3ccc(c(c3)OC)OC C01[X(C24H28Cl1N2O4S1)] 174 C1 544 COc1cc(ccc1OC)S(=O)(=O)N(c1ccc(cc1)Cl)CC[NH2+]Cc1ccc(cc1)C COc1cc(ccc1OC)S(=O)(=O)N(c1ccc(cc1)Cl)CC[NH2+]Cc1ccc(cc1)C COc1ccc(cc1OC)[S](=O)(=O)N(CC[NH2+]Cc2ccc(C)cc2)c3ccc(Cl)cc3 InChIKey=LJYSRVXQOQYQGD-UHFFFAOYSA-O InChI=1S/C24H27ClN2O4S/c1-18-4-6-19(7-5-18)17-26-14-15-27(21-10-8-20(25)9-11-21)32(28,29)22-12-13-23(30-2)24(16-22)31-3/h4-13,16,26H,14-15,17H2,1-3H3/p+1 InChI=1/C24H27ClN2O4S/c1-18-4-6-19(7-5-18)17-26-14-15-27(21-10-8-20(25)9-11-21)32(28,29)22-12-13-23(30-2)24(16-22)31-3/h4-13,16,26H,14-15,17H2,1-3H3/p+1/fC24H28ClN2O4S/h26H/q+1 Cc1ccc(cc1)C[NH2+]CCN(c2ccc(cc2)Cl)S(=O)(=O)c3ccc(c(c3)OC)OC C01[X(C24H28Cl1N2O4S1)] 174 C01 544 COc1cc(ccc1OC)S(=O)(=O)N(c1ccc(cc1)Cl)CC[NH2+]Cc1ccc(cc1)C CO[C]1[CH][C]([CH][CH][C]1OC)[S@@]([O])(=O)N([C]1[CH][CH][C]([CH][CH]1)Cl)CC[NH2]C[C]1[CH][CH][C]([CH][CH]1)C CO[C]1[CH][CH][C]([CH][C]1OC)[S]([O])(=O)N(CC[NH2]C[C]2[CH][CH][C](C)[CH][CH]2)[C]3[CH][CH][C](Cl)[CH][CH]3 InChIKey=AYVWGNCNHWROCL-UHFFFAOYSA-N InChI=1S/C24H28ClN2O4S/c1-18-4-6-19(7-5-18)17-26-14-15-27(21-10-8-20(25)9-11-21)32(28,29)22-12-13-23(30-2)24(16-22)31-3/h4-13,16H,14-15,17,26H2,1-3H3 InChI=1/C24H28ClN2O4S/c1-18-4-6-19(7-5-18)17-26-14-15-27(21-10-8-20(25)9-11-21)32(28,29)22-12-13-23(30-2)24(16-22)31-3/h4-13,16H,14-15,17,26H2,1-3H3 3597.9873117391 -2190.1886796 1-A 21471.8296 125 419 544 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.90619 -92.32082 -20.68214 -20.67812 -20.67538 -20.66261 -15.81965 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0.1122 0.1102 0.3041 0.1419 0.1612 0.2717 0.4265 0.4387 0.3977 0.3265 0.3201 0.4671 0.3638 0.5554 0.4013 0.5654 0.5443 1.1025 0.5162 0.7064 1.1119 1.1936 0.6258 0.8117 1.8389 1.0645 1.2539 1.9929 1.9427 1.9574 2.3513 1.1952 1.8271 1.3604 1.9522 1.5880 2.0308 0.5603 2.0847 0.8307 0.7816 0.9507 0.8325 0.6777 0.6750 0.8107 2.1004 1.1058 2.4569 2.2404 0.9431 1.2479 0.9506 1.0116 1.0069 1.0326 1.6104 2.3118 1.6128 5.0014 2.2777 1.3323 5.3900 2.0712 2.1927 1.7032 2.0780 1.8889 2.7505 4.8951 1.4654 2.8580 1.3955 1.2453 1.2508 1.1686 1.4847 2.3818 1.6717 1.5152 2.2195 2.4905 2.7565 3.4068 10.5599 5.4518 1.5772 1.7833 1.5972 1.6385 4.3796 1.6214 1.5785 1.8102 3.6242 1.6823 1.8298 4.3613 1.9305 3.0819 1.9498 1.9456 1.6541 1.6930 1.9824 1.7446 1.7339 1.7673 1.6835 1.6825 1.7021 1.7083 3.7825 4.1321 4.9989 12.2011 10.0941 9.8510 10.8157 10.3821 10.1059 2.1347 6.2704 6.5298 6.3189 6.3321 6.9674 6.6915 6.9528 6.7441 7.0943 7.0705 7.1352 7.2710 7.2710 7.2205 7.2240 7.3152 7.3242 7.3645 7.3825 7.4035 7.4203 7.5204 7.5293 7.5027 7.5607 7.5969 7.8367 8.7950 0.0328 0.5594 0.2665 0.1250 0.3943 0.3649 1.9660 1.0034 0.6400 2.8345 9.4760 2.9819 0.3015 0.6243 4.2147 3.2206 2.1447 1.0806 1.6473 11.7257 5.0665 1.3573 7.5818 3.9408 4.5326 0.8598 0.2126 2.3229 4.4251 9.1093 15.1233 11.7699 3.7585 1.3360 2.4063 7.0488 0.1789 0.2625 0.0683 17.2401 1.5503 15.0816 0.3708 17.8422 7.2627 7.5063 27.9285 52.8089 97.9482 9.6289 33.4722 47.9714 0.0536 17.5226 111.6462 4.2809 15.9993 12.3902 105.2453 8.4515 11.8032 25.3068 3.7496 55.0125 30.7144 2.6527 13.6304 1.1195 0.7615 27.0155 5.0327 66.9669 15.5072 65.4050 10.0578 32.6833 0.3278 0.3290 0.6230 4.5412 15.9939 42.7953 21.0989 76.3755 56.2383 11.7606 31.8565 49.1301 29.5913 0.3023 84.6102 86.4780 83.4556 640.7516 35.6576 6.2719 10.3058 2.9318 3.3874 4.5874 14.1401 1.6079 16.9866 6.5740 0.7051 22.3482 54.5513 59.5762 290.4443 200.6266 19.0814 44.0271 3.0644 5.5190 354.4410 3.9961 17.2854 3.8253 7.1472 17.0708 13.5543 101.3328 147.8983 6.8641 244.2473 68.2642 9.1820 53.2431 1.9967 10.8145 11.9049 23.8962 4.5346 10.4657 28.8418 35.6123 112.7947 12.3730 361.0914 0.4824 0.4146 74.2590 47.4219 9.8531 29.9505 26.9964 41.8127 19.2873 21.0672 39.4163 50.7960 3.9731 16.5152 16.6069 36.9305 16.9791 2.7238 3.0255 24.4402 12.5373 6.1920 9.1457 22.6463 10.7972 9.0277 4.7880 0.8462 1.2747 0.2219 3.0075 1.4650 3.7623 509.5413 84.9382 0.9848 0.5211 1.4994 4.3114 2.9892 3.5296 4.4248 4.1347 1.6930 2.1263 0.8814 0.9867 2.1982 0.2086 0.3810 0.4712 0.6449 0.5371 1.6450 1.8857 0.6017 1.7237 3.6165 0.7167 0.6479 0.8164 2.0428 1.5382 0.9263 2.8726 1.0076 2.3021 2.7735 1.8009 1.3445 3.1763 0.0273 1.7453 0.3969 0.2837 3.1688 1.0216 1.6344 1.9594 2.0967 1.1209 0.3056 1.9080 2.9385 5.3293 1.5260 4.3953 7.9990 6.4922 5.7450 2.1630 5.0088 1.0140 17.9868 1.1712 20.6315 3.9089 23.6264 6.4166 3.0355 1.0121 2.1965 1.7532 2.8478 1.9146 2.9662 3.7220 20.1016 1.3719 2.5362 3.2435 2.8568 3.9180 0.6632 0.4261 1.4589 1.2149 3.4017 5.5987 3.8600 0.5642 12.2532 9.4447 5.0782 1.4953 7.2380 6.8678 13.8768 48.4763 11.8897 1.2968 1.2708 4.2936 3.5579 5.7387 24.5508 8.6404 10.3265 10.9392 3.4336 4.6617 15.1564 9.7746 5.1663 8.7014 6.9438 2.9968 0.9942 1.8392 56.3046 10.8523 1.8266 0.7454 1.5103 19.7880 11.1677 13.7317 12.5067 2.8651 6.3658 11.2336 19.7958 3.0633 2.0460 13.5605 8.5988 19.0411 19.7275 24.3079 16.1313 9.5692 0.7655 1.8773 41.1520 3.8961 5.4230 93.9052 38.7764 60.3862 84.7488 13.7304 79.4421 51.3560 183.9741 103.8090 37.4286 17.3386 97.5278 121.9765 41.9897 65.5698 79.7945 22.5570 130.5625 40.4629 61.9695 62.4978 133.5224 68.8059 169.5396 25.9436 41.7161 20.4425 167.4986 33.5771 21.3612 104.6209 87.7499 19.5448 0.7497 0.7125 0.7322 0.7497 0.7393 0.7500 0.7167 0.7207 0.7288 0.7472 0.7428 0.7414 0.7248 0.3921 0.6422 0.3993 0.6337 0.7246 0.4721 0.4998 0.3477 0.2431 0.1557 0.7493 0.0577 0.6665 0.2228 0.7493 0.2681 0.5673 0.7422 0.7491 0.4266 0.3684 0.4949 0.4618 0.6793 0.1202 0.2741 0.7488 0.3995 0.4883 0.7423 0.6435 0.3295 0.7472 0.2549 0.7173 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0.7074 0.8571 0.6491 0.3872 0.3256 0.7638 0.8551 0.6316 0.2616 0.8039 0.5071 0.2842 0.3803 0.5902 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 6 7 1 1 6 6 7 6 6 6 6 6 6 17 16 8 8 6 6 6 6 6 6 8 6 8 6 1 1 1 1 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 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 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 1.00783 1.00783 1.00783 1.00783 1.00783 11015.2408 30298.5862 37116.2045 0.99987 -0.01616 0.00003 0.01616 0.99987 0.00248 -0.00007 -0.00248 1.00000 1 0.00786 0.00286 0.00233 0.16384 0.05957 0.04862 16.81 23.00 28.08 31.08 33.91 40.80 55.89 68.37 81.51 105.13 117.17 120.27 147.88 178.87 196.19 207.95 226.00 267.65 279.73 294.11 311.59 332.46 355.40 384.92 402.92 412.82 435.90 441.33 453.10 467.23 497.40 529.00 572.80 588.75 593.91 601.36 655.29 666.75 671.84 677.24 695.45 738.98 742.08 773.72 779.29 845.33 865.59 882.42 926.69 944.87 964.03 994.31 1009.98 1027.29 1091.38 1126.32 1138.77 1150.22 1151.02 1180.87 1218.43 1256.80 1294.17 1304.04 1342.21 1345.61 1355.37 1362.93 1374.76 1400.18 1407.12 1432.32 1478.56 1512.96 1553.47 1558.27 1566.43 1575.48 1593.91 1596.77 1603.70 1604.43 1610.16 1654.23 1670.69 1692.58 1693.02 1710.93 1716.13 1717.73 1734.19 1742.45 1745.31 1778.03 1813.21 1824.18 1858.74 1859.32 1862.61 1870.32 1886.37 1894.95 1903.02 1913.49 1923.44 1930.34 1944.32 1948.85 2020.96 2026.57 2060.68 2063.43 2080.99 2114.41 2130.79 2137.99 2146.61 2219.32 2241.01 2241.48 2256.86 2261.16 2265.46 2271.09 2333.70 2342.49 2345.66 2347.73 2352.58 2354.66 2360.69 2372.64 2375.58 2376.36 2379.37 2383.42 2404.78 2436.42 2447.07 2543.45 2549.06 2554.30 2567.18 2589.59 2615.71 2638.00 4611.64 4622.90 4624.06 4638.87 4702.22 4707.87 4709.69 4717.42 4741.50 4744.57 4786.44 4794.89 4817.46 4820.57 4820.97 4822.53 4829.88 4860.98 4867.03 4882.41 4887.71 4909.18 4910.89 4916.31 4933.19 4935.93 5070.07 5342.27 0.528028 0.557687 0.558631 0.460879 -2189.660651 -2189.630992 -2189.630048 -2189.727801 3.278652D-04 MUNgauss RevisionA2.0 retrievium 18-Jan-2021 DUDE Cc1ccc(cc1)C[NH2+]CCN(c2ccc(cc2)Cl)S(=O)(=O)c3ccc(c(c3)OC)OC C16292414 RHF 6-31G(d) (6D,10F) C1 475.145832 |X|Y|Z| 69.967316 36.748435 123.393385 68.203812 24 6 7 16 21 2 1 |36.858105| |12.618499|36.858105| |7.539113|13.720512|36.858105| |5.008387|7.891827|13.746866|36.858105| |4.417858|6.797499|7.916063|13.736988|36.858105| |5.017926|7.886919|6.892990|7.956224|13.680839|36.858105| |7.555781|13.662213|7.976068|6.899156|7.920879|13.803814|36.858105| |3.275806|4.424320|5.031112|7.587869|12.670842|7.576398|5.034833|36.858105| |2.940239|3.798624|4.173843|5.634430|7.711125|5.940264|4.299453|12.640023|53.358707| |3.064369|3.957230|4.493154|6.067135|7.344558|5.543314|4.273866|9.237979|25.705740|0.500000| |2.984197|3.826966|3.964419|5.007507|7.048267|6.404691|4.563684|9.188173|25.463690|0.325292|0.500000| |2.393558|2.938175|3.201644|4.070627|4.969389|4.139510|3.238192|7.527819|17.371828|0.255469|0.259475|36.858105| |2.160118|2.569164|2.731079|3.274780|3.811717|3.413073|2.812267|4.890728|10.249994|0.190696|0.199727|12.418074|36.858105| |2.012108|2.353553|2.421557|2.813850|3.316452|3.155526|2.630965|4.077203|7.612137|0.136688|0.169126|7.511519|12.917581|53.358707| |1.753561|2.004087|2.059883|2.340338|2.659047|2.546362|2.197488|3.148073|5.432118|0.102900|0.116077|5.106510|7.751195|17.909105|36.858105| |1.677255|1.891619|1.942622|2.170507|2.406441|2.314348|2.044879|2.748956|4.695343|0.093339|0.099882|4.131244|6.094690|10.464548|13.729739|36.858105| |1.495867|1.663660|1.706575|1.883418|2.054759|1.982996|1.780502|2.313126|3.784234|0.075665|0.079388|3.262592|4.342234|6.935812|7.939468|13.762353|36.858105| |1.403987|1.558043|1.597731|1.764379|1.927421|1.860690|1.668967|2.184741|3.479589|0.068417|0.072447|3.033361|3.818431|6.166884|6.907972|7.966389|13.762991|36.858105| |1.446639|1.617586|1.659499|1.850054|2.047580|1.972673|1.747084|2.366289|3.743178|0.071813|0.077825|3.355360|4.129608|6.994305|7.936901|6.858204|7.907878|13.761866|36.858105| |1.608852|1.824820|1.874120|2.119922|2.394896|2.298007|1.994807|2.839159|4.617832|0.086394|0.096834|4.324245|5.547364|10.675788|13.754998|7.929173|6.869771|7.976733|13.770092|36.858105| |1.246793|1.366025|1.398431|1.525161|1.641787|1.591203|1.449406|1.827937|2.830560|0.056217|0.058571|2.394674|2.854580|4.366133|4.240929|4.778480|7.055761|10.984535|7.055921|4.781219|448.794386| |2.179159|2.544638|2.527138|2.865437|3.452490|3.508125|2.937104|3.973775|7.215930|0.130831|0.184556|5.611145|7.194529|15.515604|7.187217|5.768169|4.162948|3.666802|3.952123|5.246420|22.227988|388.023441| |2.160149|2.478371|2.450922|2.710558|3.143304|3.209055|2.802367|3.425528|6.140583|0.121477|0.151013|4.529629|5.973451|10.175043|6.049203|5.987900|4.311241|3.560005|3.564887|4.356932|22.029339|94.688709|73.516695| |2.537505|3.064249|3.011401|3.490028|4.501146|4.708613|3.696333|5.258075|9.649805|0.160162|0.295814|6.441248|6.555343|10.564213|5.040604|4.150311|3.224687|2.946090|3.211965|4.124098|18.695471|93.346959|13.786371|73.516695| |1.915020|2.180002|2.132635|2.361162|2.791925|2.908056|2.510565|3.138242|5.102930|0.093222|0.122230|4.011409|4.677721|9.551310|6.149302|4.961668|3.983492|3.752839|4.183685|5.367509|23.127702|77.756287|12.969028|12.944748|36.858105| |1.755171|1.957668|1.906833|2.070281|2.381474|2.487433|2.218170|2.598907|4.148749|0.078634|0.096711|3.216407|3.793427|7.094440|5.272882|4.833645|4.121591|3.836965|4.037031|4.701672|24.262658|50.376157|11.603500|8.973803|13.892482|36.858105| |1.599493|1.761116|1.708821|1.837147|2.090754|2.192383|1.983589|2.260675|3.477605|0.066053|0.079285|2.690024|3.044765|5.373495|4.116998|3.816955|3.522290|3.475585|3.691588|4.036445|23.252560|33.997688|7.864125|6.881113|7.998725|13.674540|36.858105| |1.572537|1.733695|1.680856|1.811791|2.073038|2.178534|1.961270|2.256465|3.383458|0.063340|0.076519|2.627237|2.861931|4.975521|3.717174|3.296586|3.067766|3.151679|3.507841|3.862212|21.460940|30.090565|6.547567|6.548632|6.902532|7.910580|13.814191|36.858105| |1.690352|1.890180|1.836974|2.006409|2.339601|2.458019|2.164691|2.598534|3.866284|0.070587|0.087960|3.026919|3.202639|5.657542|3.992481|3.334343|3.003778|3.096929|3.596004|4.207478|20.601759|33.923323|6.774725|7.752206|7.951050|6.809605|7.854481|13.383832|36.858105| |1.873745|2.134795|2.084916|2.315614|2.761679|2.888713|2.474425|3.142454|4.838973|0.086280|0.113293|3.826982|4.092186|7.740657|4.999210|3.938877|3.345174|3.341569|3.909597|4.966589|21.290480|49.743238|8.715856|11.136651|13.553515|7.859942|6.846852|7.903096|13.928537|36.858105| |1.615498|1.796727|1.746219|1.900691|2.202830|2.311823|2.048812|2.438255|3.500607|0.063898|0.078003|2.728514|2.780356|4.655605|3.287945|2.782184|2.565993|2.695793|3.143581|3.566999|18.543115|26.424895|5.426191|6.423372|5.206851|4.611482|5.289619|8.169805|14.243308|7.926823|73.516695| |1.694273|1.901317|1.854292|2.036536|2.384828|2.493529|2.179366|2.675427|3.727279|0.066941|0.082172|2.901171|2.826901|4.588569|3.123598|2.605642|2.378412|2.491229|2.927933|3.384831|17.136067|25.260611|5.096850|6.532959|4.500999|3.778515|3.975759|5.236038|8.036582|6.733330|24.179763|36.858105| |1.442573|1.572813|1.523286|1.627921|1.839612|1.931817|1.763469|1.982048|2.909954|0.054927|0.064763|2.247263|2.404183|4.005382|3.024391|2.748669|2.643758|2.767105|3.046026|3.209238|19.737217|23.264571|5.227775|5.261299|4.667917|5.218651|7.945042|14.386881|8.212260|5.329395|13.250102|4.819063|73.516695| |1.342367|1.448230|1.402029|1.485010|1.655943|1.735800|1.607170|1.762941|2.590317|0.049621|0.057275|1.988037|2.145082|3.497379|2.690752|2.544731|2.511046|2.613766|2.770928|2.816384|19.299944|20.179927|4.747851|4.532839|3.809520|4.510904|6.729013|8.028590|5.233608|3.985751|8.552498|3.558902|24.046771|36.858105| |17.547463|8.872896|6.048994|4.369132|3.975140|4.544394|6.526015|3.036984|3.649530|0.076065|0.075538|2.224885|2.001405|2.564724|1.651941|1.572598|1.411432|1.335281|1.381743|1.531908|9.563748|14.455802|3.542990|4.198728|1.819495|1.669000|1.536484|1.524065|1.641922|1.803568|2.818446|1.672750|2.502672|1.308992|0.500000| |17.571053|8.851727|5.745344|4.241095|3.958357|4.658438|6.921195|3.029960|3.834832|0.081606|0.081146|2.307980|2.125339|2.727060|1.752039|1.687117|1.504790|1.406335|1.442096|1.600326|10.033312|15.708472|3.948766|4.540575|1.948732|1.801543|1.640948|1.603302|1.709991|1.890594|2.889022|1.688000|2.613248|1.373654|0.302196|0.500000| |17.594686|8.839837|7.199542|4.732141|3.951945|4.174378|5.583742|3.024612|3.740332|0.080888|0.076146|2.270855|2.062094|2.589662|1.673667|1.613189|1.446210|1.355910|1.390142|1.536591|9.714087|14.431343|3.606827|4.126746|1.781093|1.643045|1.499145|1.469162|1.570511|1.735099|2.668563|1.568896|2.402993|1.264020|0.301890|0.301545|0.500000| |6.978786|8.916403|17.722171|8.946857|5.645777|4.962832|5.657543|4.106701|4.814173|0.106995|0.092499|2.840410|2.469229|2.977203|1.894785|1.805795|1.602943|1.502663|1.551434|1.733191|10.654651|16.013047|3.927785|4.637659|1.921920|1.739393|1.569168|1.541208|1.670148|1.875845|2.832434|1.684166|2.499975|1.303110|0.158635|0.146866|0.219478|0.500000| |4.091242|5.633622|8.941777|17.688273|8.891917|5.642664|4.963464|7.005819|7.332804|0.165535|0.126110|4.131449|3.290625|3.755340|2.322864|2.160766|1.885169|1.770219|1.854170|2.114450|12.318047|19.268310|4.564486|5.692452|2.237843|1.971017|1.753653|1.729101|1.909236|2.194104|3.223794|1.942024|2.771069|1.425736|0.101612|0.097995|0.112778|0.217045|0.500000| |4.098805|5.628201|4.960028|5.644222|8.871530|17.686085|8.955956|6.997400|8.034377|0.143205|0.192969|4.268437|3.559591|4.669698|2.727278|2.438265|2.077392|1.957768|2.095551|2.467723|13.344577|28.192396|6.215549|10.042596|3.326861|2.782611|2.444273|2.450315|2.815167|3.360412|4.687441|2.865806|3.824343|1.908121|0.106715|0.110329|0.096163|0.107651|0.123796|0.500000| |7.015972|8.900080|5.660301|4.965439|5.644650|8.964506|17.715211|4.107164|4.999232|0.100255|0.111195|2.884711|2.577464|3.374979|2.095701|1.958493|1.716129|1.612287|1.684617|1.912154|11.297857|20.131870|4.836559|6.250995|2.487255|2.221813|2.005109|1.986128|2.178473|2.459581|3.674398|2.184638|3.189355|1.639184|0.180369|0.202216|0.141155|0.124194|0.107699|0.217224|0.500000| |3.017788|3.943797|4.217475|5.694058|8.815442|6.985829|4.673635|17.627017|12.460856|0.181774|0.226251|6.932434|4.625829|5.635521|3.188689|2.717896|2.299439|2.206838|2.433891|2.947405|14.803292|28.985456|5.983219|9.866793|3.347991|2.716261|2.384980|2.428546|2.868560|3.493942|4.846642|3.076917|3.786281|1.867918|0.079734|0.078325|0.076486|0.097425|0.145082|0.206176|0.110862|0.500000| |3.020949|3.952097|4.734757|7.196324|8.837457|5.602888|4.188422|17.625365|12.370351|0.217331|0.180366|7.073977|4.579649|5.054470|2.973467|2.617451|2.235567|2.128034|2.303464|2.727877|14.417324|24.446671|5.372095|7.510995|2.785125|2.349247|2.068380|2.069026|2.361411|2.798750|3.983896|2.460129|3.266900|1.645106|0.078440|0.076695|0.079549|0.112751|0.218288|0.141474|0.096467|0.300955|0.500000| |2.288920|2.789169|2.979899|3.727563|4.650745|4.026350|3.128779|7.111129|12.423130|0.180635|0.219736|17.661663|8.809961|9.969310|5.049572|3.892779|3.144614|3.027400|3.477082|4.582598|19.215578|39.344301|7.453856|11.619150|4.264875|3.317168|2.817668|2.828737|3.373258|4.329014|5.475290|3.372474|4.291408|2.098005|0.060021|0.061268|0.059824|0.073319|0.103450|0.119961|0.078560|0.215309|0.183000|0.500000| |2.313161|2.818590|3.165970|4.066583|4.645818|3.725371|2.999954|6.857496|12.481567|0.224862|0.182201|17.616335|8.834924|7.676723|4.373190|3.704531|3.040115|2.856375|3.125471|3.861708|18.502901|30.652692|6.607535|8.405586|3.301949|2.755435|2.361584|2.315587|2.625369|3.189969|4.295046|2.575316|3.590480|1.807213|0.059838|0.061283|0.061869|0.079648|0.121148|0.102730|0.073711|0.167148|0.211324|0.300987|0.500000| |1.964790|2.300626|2.468049|2.927246|3.282007|2.921141|2.466464|4.131634|7.718509|0.150644|0.144665|8.996085|17.662386|12.686789|7.864165|6.417469|4.741662|4.214090|4.541363|5.947631|25.010201|38.465315|8.509162|8.592446|4.004970|3.397461|2.811273|2.656023|2.927414|3.593956|4.594976|2.621691|4.034944|2.044879|0.050860|0.053513|0.052651|0.063137|0.083671|0.083431|0.063052|0.109105|0.113627|0.198405|0.232830|0.500000| |2.263122|2.686540|2.857719|3.383659|3.850769|3.467332|2.910355|4.637817|9.903355|0.212260|0.198851|8.766769|17.518172|12.165715|6.359088|5.886928|4.198078|3.530856|3.616971|4.541366|21.722686|48.508555|11.913979|10.988514|4.308087|3.654660|2.910969|2.675936|2.912705|3.641710|4.487287|2.532559|4.020555|2.051162|0.057482|0.062319|0.060308|0.071968|0.093961|0.098375|0.073913|0.116619|0.119421|0.174888|0.197095|0.304808|0.500000| |1.768435|1.994528|2.046505|2.275629|2.508855|2.417790|2.149352|2.816038|4.904893|0.100366|0.105362|4.133589|6.176325|9.562874|8.896839|17.742734|8.939474|5.663186|4.946394|5.640795|31.656912|42.304331|12.713471|7.622091|4.690493|4.625022|3.584373|3.054180|3.072211|3.644223|4.572966|2.422918|4.547824|2.393066|0.045680|0.049669|0.047331|0.052837|0.062688|0.070181|0.057094|0.075867|0.073903|0.104161|0.102687|0.170540|0.187246|0.500000| |1.440009|1.587602|1.626730|1.777037|1.914731|1.853237|1.685395|2.118217|3.430326|0.069755|0.071822|2.872764|3.713468|5.622373|5.644803|8.910535|17.754440|8.923998|5.638540|4.953245|53.903544|25.546622|6.932202|5.085900|3.421549|3.637987|3.171681|2.744355|2.642259|2.890587|4.061615|2.118631|4.284612|2.341188|0.037688|0.040376|0.038851|0.042717|0.049454|0.053505|0.045247|0.057997|0.057037|0.076062|0.075407|0.111328|0.103882|0.215184|0.500000| |1.364727|1.518582|1.556443|1.728315|1.904598|1.838483|1.636135|2.191816|3.376896|0.064615|0.069806|2.986902|3.483490|5.678051|5.643589|4.947273|5.638221|8.922123|17.755031|8.906121|53.894517|23.882578|5.365582|5.058245|3.651227|3.536092|3.397182|3.359631|3.450430|3.595757|5.567737|2.930516|5.366075|2.749034|0.036419|0.037708|0.036451|0.040549|0.048192|0.054224|0.043945|0.063158|0.059687|0.087500|0.078455|0.105496|0.085190|0.107463|0.124198|0.500000| |1.635793|1.864695|1.913972|2.179222|2.490540|2.388941|2.052396|3.003209|4.765007|0.086816|0.099537|4.514730|5.284470|9.900398|8.940133|5.648606|4.952325|5.661726|8.921524|17.742433|31.629795|35.903194|7.061187|7.549088|5.350356|4.422214|3.918857|3.982427|4.629769|5.518633|7.172079|3.957267|5.909562|2.832089|0.043511|0.044976|0.043212|0.048947|0.060270|0.071941|0.054602|0.088910|0.080143|0.142189|0.111188|0.152177|0.116840|0.124192|0.107562|0.214347|0.500000| |1.752413|1.944383|1.897485|2.047620|2.325505|2.417404|2.180907|2.506539|4.056535|0.078744|0.094129|3.113219|3.776277|6.793798|5.183991|5.251230|4.446542|3.901737|3.866224|4.364607|24.768593|47.879880|13.474374|8.345108|8.946189|17.769822|8.887896|5.639863|4.923108|5.607497|6.509419|3.125951|7.471263|3.906028|0.045971|0.050226|0.045807|0.048307|0.054276|0.073892|0.060569|0.071236|0.063221|0.086410|0.074805|0.094426|0.105199|0.147343|0.112222|0.092516|0.109461|0.500000| |1.503260|1.637410|1.587787|1.691373|1.898553|1.987866|1.825460|2.027895|3.099359|0.059750|0.069880|2.381318|2.695379|4.581838|3.588673|3.501754|3.359878|3.303734|3.372432|3.517346|22.997249|28.117902|6.923659|5.803407|5.692049|8.948819|17.783548|8.933839|5.598889|4.943599|7.589548|3.321757|12.607774|7.483477|0.040130|0.042994|0.039317|0.040782|0.044978|0.060786|0.051422|0.058802|0.051964|0.068343|0.058990|0.070170|0.072800|0.092570|0.086583|0.087068|0.093110|0.215898|0.500000| |1.985316|2.295653|2.254069|2.543978|3.100919|3.222632|2.686811|3.635483|5.495553|0.094694|0.128510|4.370684|4.378221|7.957697|4.767709|3.675695|3.099915|3.104378|3.674060|4.762919|19.895045|47.491327|8.055595|12.425922|8.870245|5.630975|4.944550|5.616531|8.962912|17.789389|12.565552|7.465649|7.623110|3.325705|0.053219|0.055102|0.050858|0.055876|0.066815|0.105929|0.073378|0.116686|0.088908|0.145267|0.099417|0.105283|0.105148|0.095119|0.074580|0.094891|0.155136|0.123970|0.107472|0.500000| |1.589785|1.765552|1.721159|1.873643|2.161917|2.256780|2.003747|2.392365|3.276700|0.059589|0.071221|2.532957|2.455705|3.874635|2.687929|2.294257|2.133056|2.249274|2.613592|2.926658|15.854463|21.032645|4.389534|5.434763|3.613187|3.178951|3.411650|4.412600|5.902318|4.912816|17.018014|17.668065|7.824876|3.363759|0.043908|0.043932|0.041009|0.043723|0.049815|0.071044|0.056009|0.075773|0.061925|0.080666|0.063736|0.064177|0.061757|0.059491|0.053359|0.073920|0.093590|0.074973|0.082057|0.145967|0.500000| |1.853301|2.093496|2.019273|2.216424|2.638689|2.819526|2.443399|2.932948|4.023692|0.071598|0.090124|3.035174|2.893153|4.627405|3.031644|2.544340|2.285007|2.340715|2.699549|3.157891|16.044802|26.506946|5.307068|7.238366|4.570034|3.741287|3.800805|4.766184|7.079619|6.734393|16.447665|17.559430|7.589362|3.260888|0.050939|0.051325|0.047231|0.050470|0.057966|0.092208|0.068510|0.095358|0.073497|0.098096|0.074023|0.073083|0.072598|0.066908|0.056908|0.073659|0.100681|0.086768|0.088363|0.223442|0.299844|0.500000| |1.694244|1.917242|1.896770|2.112582|2.478016|2.530346|2.182110|2.860368|4.004300|0.071163|0.086924|3.225900|3.115759|5.081266|3.456850|2.801374|2.546358|2.702127|3.270137|3.867970|18.324234|26.419602|5.222270|6.790045|4.545215|3.709687|3.762573|4.716606|7.025056|6.714837|16.440807|17.549485|7.517776|3.229843|0.046292|0.046571|0.043788|0.047892|0.056506|0.080054|0.059847|0.092082|0.073809|0.107178|0.079548|0.080985|0.075687|0.071289|0.062203|0.091564|0.132008|0.086067|0.087490|0.224433|0.300050|0.298307|0.500000| 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