Version2.1 2021-01-09T01:48:07Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 29-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(c(n1c2ccc(cc2)S(=O)(=O)N)C)C(=O)C[NH+]3CCC(=CC3)c4ccccc4 C09586520 RHF 6-31G(d) (6D,7F) Cc1cc(c(n1c2ccc(cc2)S(=O)(=O)N)C)C(=O)C[NH+]3CCC(=CC3)c4ccccc4 C01[X(C25H28N3O3S1)] 174 C1 540 O=C(c1cc(n(c1C)c1ccc(cc1)S(=O)(=O)N)C)C[NH+]1CCC(=CC1)c1ccccc1 O=C(c1cc(n(c1C)c1ccc(cc1)S(=O)(=O)N)C)C[NH+]1CCC(=CC1)c1ccccc1 Cc1cc(c(C)n1c2ccc(cc2)[S](N)(=O)=O)C(=O)C[NH+]3CCC(=CC3)c4ccccc4 InChIKey=MINFWRHLZOVXQH-UHFFFAOYSA-O InChI=1S/C25H27N3O3S/c1-18-16-24(19(2)28(18)22-8-10-23(11-9-22)32(26,30)31)25(29)17-27-14-12-21(13-15-27)20-6-4-3-5-7-20/h3-12,16H,13-15,17H2,1-2H3,(H2,26,30,31)/p+1 InChI=1/C25H27N3O3S/c1-18-16-24(19(2)28(18)22-8-10-23(11-9-22)32(26,30)31)25(29)17-27-14-12-21(13-15-27)20-6-4-3-5-7-20/h3-12,16H,13-15,17H2,1-2H3,(H2,26,30,31)/p+1/fC25H28N3O3S/h27H,26H2/q+1 Cc1cc(c(n1c2ccc(cc2)S(=O)(=O)N)C)C(=O)C[NH+]3CCC(=CC3)c4ccccc4 C01[X(C25H28N3O3S1)] 174 C01 540 O=C(c1cc(n(c1C)c1ccc(cc1)S(=O)(=O)N)C)C[NH+]1CCC(=CC1)c1ccccc1 CC1=[CH][C]([C]([N]1[C]1[CH][CH][C]([CH][CH]1)S(=O)(=O)N)C)[C](=O)C[NH]1CCC(=CC1)[C]1[CH][CH][CH][CH][CH]1 C[C]1[C](C=C(C)N1[C]2[CH][CH][C]([CH][CH]2)[S](N)(=O)=O)C(=O)C[NH]3CCC(=CC3)[C]4[CH][CH][CH][CH][CH]4 InChIKey=NMEUWUHMQOBHFK-UHFFFAOYSA-N InChI=1S/C25H28N3O3S/c1-18-16-24(19(2)28(18)22-8-10-23(11-9-22)32(26,30)31)25(29)17-27-14-12-21(13-15-27)20-6-4-3-5-7-20/h3-12,16,27H,13-15,17H2,1-2H3,(H2,26,30,31) InChI=1/C25H28N3O3S/c1-18-16-24(19(2)28(18)22-8-10-23(11-9-22)32(26,30)31)25(29)17-27-14-12-21(13-15-27)20-6-4-3-5-7-20/h3-12,16,27H,13-15,17H2,1-2H3,(H2,26,30,31)/f/h26H2 3096.6866592902 -1748.1890356 1-A 33197.6622 119 421 540 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.28025 -20.68102 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0.1309 0.0779 0.1887 0.1957 0.1303 0.2287 0.2416 0.2435 0.3238 0.4254 0.4891 0.7870 0.3527 0.3681 0.3485 0.4097 0.8511 0.4598 0.6026 0.6837 0.9407 0.6926 0.8436 0.6797 0.7328 1.2053 0.8966 1.6969 1.6027 2.1600 1.1572 1.5370 1.4876 0.7037 1.7117 1.6744 2.1430 1.0488 0.7825 1.2421 0.6407 0.9436 0.8217 0.6779 0.6722 1.1584 1.8628 2.0091 1.3214 2.2265 0.9666 1.8475 2.9132 1.5377 1.4933 1.6501 1.0689 1.2212 1.2751 1.0085 2.2018 1.7284 1.0321 1.6278 1.3476 1.0676 1.1911 1.2332 1.6376 1.6727 1.5873 2.5547 2.4994 3.4157 1.9139 2.4280 8.6123 3.0955 1.1503 1.0947 1.1559 2.1639 1.5781 1.4682 3.0383 2.5972 1.6464 4.4823 1.7991 1.5910 1.6712 1.7245 1.7091 16.7975 4.2582 1.8660 2.5025 3.8868 1.9064 2.2934 2.2324 2.0429 2.6586 3.2558 1.6171 1.7945 2.0449 1.7218 1.8206 1.7387 1.8106 1.8160 1.7691 3.5794 4.3229 6.4968 2.0374 12.3345 9.3096 12.2742 9.9429 10.5924 15.2829 23.2723 6.3273 6.5340 6.3917 6.5795 6.7567 6.7509 6.9697 6.9873 6.8616 7.0862 7.0925 7.2545 7.3142 7.2590 7.2880 7.3634 7.3547 7.3846 7.3889 7.3869 7.4142 7.4871 7.5244 7.5332 7.5596 8.3072 8.8756 10.0666 0.2465 1.4149 1.2192 1.5256 0.9198 0.6780 2.0442 0.2296 1.1728 5.7644 0.7147 7.4432 2.9676 12.9329 1.9483 0.0120 3.8322 0.5294 1.9431 5.0341 10.0795 41.6405 9.1332 6.5400 0.6057 36.8511 275.1470 11.5553 0.1589 62.4937 14.4703 13.1499 3.9425 84.4237 0.7410 0.0652 4.1149 0.6051 4.8581 13.1691 4.5091 9.2405 18.3469 7.3140 28.6231 11.6723 5.9456 53.5902 70.2282 0.5848 0.0451 203.2814 2.1308 15.8716 6.6497 26.3600 14.5187 7.2936 91.1259 17.3392 42.3631 10.2808 23.6735 17.6887 4.5009 0.4356 0.1496 87.5317 168.1518 5.2871 50.6919 141.5055 4.9693 22.2695 6.3705 2.0564 11.3491 14.2347 2.2421 5.2007 6.5883 0.0007 1.9565 0.3882 0.0080 3.0033 50.9902 0.0663 0.5670 0.9947 2.3449 4.2600 0.5729 10.4901 20.2126 37.3838 0.6210 63.9118 252.4747 26.4513 0.0235 5.4281 2.7666 95.0139 1.7213 16.0407 102.6774 0.8976 12.1681 200.8620 95.4495 5.0090 12.1294 55.2798 2.6375 216.3981 53.6847 26.6277 10.8880 31.4887 7.7438 22.3995 401.6281 124.4763 93.8008 10.9103 11.4310 59.3525 1.9930 7.5245 8.0077 11.9677 26.6657 54.6395 13.7791 13.5424 129.4135 300.9901 74.4500 9.1083 4.4382 9.2432 0.0630 40.3943 24.3983 382.0249 26.5207 6.9514 15.3589 15.2370 0.8331 11.3457 12.0647 7.4710 7.8626 7.1547 18.9672 0.8278 5.6745 9.9606 1.9825 0.6909 8.8334 4.5637 3.6437 2.9806 23.9216 14.4634 0.2771 2.8384 4.7846 125.7955 76.5001 77.8223 0.3617 2.1688 4.9516 0.6549 1.4212 1.5536 3.5277 7.1260 4.7503 1.3086 0.7935 2.4118 2.2291 1.8499 0.7116 0.0207 1.5246 0.6014 1.5439 0.0235 1.0829 1.4658 0.9511 2.5699 1.4338 1.8485 1.0008 1.4978 1.7183 7.3183 1.1017 1.4491 2.4609 4.6392 1.0205 0.0083 0.9277 1.0576 4.0477 0.6344 2.4809 1.5535 1.9419 1.5118 1.1930 1.3247 4.9340 7.8924 2.8604 5.9592 2.5024 5.9762 3.3941 3.0113 3.2409 1.0142 2.3442 2.5409 18.5894 31.5212 6.5753 4.2492 1.9853 7.3924 9.3293 3.9056 1.5690 15.4361 2.3459 4.0505 10.3110 12.9846 2.1762 4.9404 35.1766 2.5643 8.7090 9.8571 0.3539 0.8043 0.9418 0.0010 2.1553 16.5400 0.6659 5.0779 15.4446 2.3859 0.1201 0.6098 0.4395 4.7323 4.9794 20.4271 4.0142 5.8410 8.6999 3.5132 17.0208 0.0710 6.0211 6.5299 5.6964 4.7408 2.6099 5.4779 10.3064 64.2072 73.4235 163.4980 19.3537 0.8973 14.9183 7.3984 4.4441 2.8676 74.3367 4.6891 3.1846 0.4791 19.5565 19.2997 34.3114 9.0171 19.5864 2.5373 16.2494 26.9538 36.8078 6.8117 34.9352 20.3232 13.4503 3.5702 14.8835 4.6983 5.0594 108.9130 2.8939 3.0459 6.9365 33.1658 137.2062 98.4727 168.9978 234.0043 136.6850 59.5933 132.5882 113.4486 38.5020 65.0999 65.0655 63.2249 109.1701 67.6971 78.2115 28.4965 59.0039 16.6330 79.7474 40.0078 89.5870 47.0722 62.2908 48.1518 56.8395 309.2154 29.5623 142.2531 71.0096 41.8103 73.3065 41.3470 0.7466 0.7464 0.7494 0.7159 0.7319 0.6612 0.7439 0.7336 0.7386 0.7433 0.7479 0.5979 0.3314 0.7438 0.6880 0.7026 0.3006 0.3148 0.4778 0.6077 0.7379 0.7491 0.6280 0.7500 0.7301 0.5927 0.7356 0.7221 0.5003 0.2731 0.7395 0.0687 0.7441 0.7498 0.5103 0.7495 0.4588 0.7500 0.2295 0.7490 0.7495 0.3921 0.7477 0.6215 0.7192 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0.8380 0.6812 0.7653 0.8376 0.7436 0.8188 0.4166 0.4344 0.7535 0.7895 0.2020 0.7446 0.2446 0.4389 0.2727 0.2158 0.8571 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 7 6 6 6 6 6 6 16 8 8 7 6 6 8 6 7 1 6 6 6 6 6 6 6 6 6 6 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 1 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 15.99491 15.99491 14.00307 12.00000 12.00000 15.99491 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 3673.5588 58883.4704 60998.6360 0.99999 -0.00370 -0.00029 0.00370 0.99999 0.00004 0.00029 -0.00004 1.00000 1 0.02358 0.00147 0.00142 0.49128 0.03065 0.02959 18.92 23.22 27.13 41.05 52.26 59.03 73.90 85.15 117.46 133.69 139.74 159.34 172.36 198.10 207.31 219.00 259.44 266.50 282.57 317.07 330.40 370.85 401.45 417.09 442.59 472.10 491.49 504.02 508.48 511.26 589.48 595.19 602.24 641.97 652.04 662.50 688.17 693.91 720.60 745.20 754.79 760.63 813.29 845.37 866.50 879.96 890.44 928.02 955.23 976.66 982.51 1000.39 1041.28 1072.67 1098.03 1115.54 1123.60 1163.97 1189.61 1203.71 1227.31 1259.30 1286.26 1316.10 1366.62 1375.97 1381.26 1386.65 1401.45 1462.96 1471.97 1487.26 1512.40 1537.99 1566.72 1568.29 1572.26 1584.51 1591.62 1593.38 1594.86 1613.37 1619.30 1630.39 1639.56 1654.21 1658.97 1679.87 1681.14 1693.53 1709.67 1711.93 1714.25 1729.33 1733.15 1743.51 1763.23 1829.54 1838.18 1857.97 1870.58 1876.01 1885.20 1896.80 1922.95 1933.39 1957.09 1982.95 2041.35 2058.45 2074.35 2082.41 2097.08 2117.73 2129.11 2165.23 2180.96 2203.25 2224.38 2238.35 2246.08 2248.98 2259.65 2268.50 2284.61 2320.88 2333.96 2335.20 2338.68 2346.05 2356.23 2356.52 2362.35 2363.16 2384.01 2405.70 2422.17 2440.18 2522.14 2549.17 2557.96 2566.20 2600.11 2603.15 2713.33 2749.99 4628.80 4636.69 4641.76 4665.48 4704.04 4708.38 4711.60 4719.76 4721.50 4741.77 4754.84 4798.54 4814.39 4841.90 4848.15 4854.66 4863.37 4873.50 4873.62 4873.83 4876.94 4892.12 4914.54 4915.31 4919.89 5205.71 5462.03 5655.15 0.532964 0.561204 0.562148 0.469327 -1747.656071 -1747.627832 -1747.626888 -1747.719709 3.113232D-04 MUNgauss RevisionA2.0 retrievium 09-Jan-2021 DUDE Cc1cc(c(n1c2ccc(cc2)S(=O)(=O)N)C)C(=O)C[NH+]3CCC(=CC3)c4ccccc4 C09586520 RHF 6-31G(d) (6D,10F) C1 450.185139 |X|Y|Z| 42.172753 24.561992 175.543796 56.653534 25 6 7 23 2 |36.858105| |12.731884|36.858105| |7.385568|14.167145|36.858105| |5.109785|8.460029|13.210710|36.858105| |5.182761|8.443927|8.388122|13.767010|36.858105| |7.529211|13.674552|8.631924|8.651019|14.102321|53.358707| |6.340704|7.616478|5.310912|5.306125|7.721677|18.103985|36.858105| |5.243604|5.686673|4.304751|4.301169|5.740609|10.648302|13.753126|36.858105| |4.096338|4.134202|3.309324|3.308229|4.168282|7.002931|7.955908|13.760760|36.858105| |3.755903|3.727158|3.020285|3.019263|3.756048|6.197407|6.923021|7.961564|13.743420|36.858105| |4.094077|4.132700|3.308366|3.307916|4.169472|7.002969|7.956029|6.853270|7.897510|13.742921|36.858105| |5.239127|5.682856|4.302647|4.300376|5.743409|10.648080|13.752574|7.908328|6.853027|7.961317|13.760950|36.858105| |2.847637|2.774947|2.356903|2.357786|2.794956|4.346409|4.201993|4.723061|6.941799|10.690236|6.941367|4.722901|388.023441| |2.580922|2.550997|2.206789|2.231797|2.628274|3.985783|3.723446|3.858998|4.995298|7.394927|6.531789|4.448250|95.057419|73.516695| |2.582514|2.551852|2.207320|2.231799|2.627625|3.985926|3.723606|4.449670|6.535823|7.395315|4.993827|3.858336|95.054698|13.509441|73.516695| |2.811300|2.613311|2.215841|2.152738|2.472237|3.896170|3.616734|3.992395|5.360779|6.932488|5.365448|3.994399|83.423450|13.860553|13.860034|53.358707| |3.805398|5.173191|5.079245|7.264422|12.716038|10.412974|6.436792|5.310520|4.152572|3.806563|4.156642|5.318598|20.531461|4.908975|4.904961|3.346044|36.858105| |3.747917|5.225036|7.388893|13.236976|7.571280|7.206584|3.864034|3.334524|2.711566|2.511038|2.713078|3.337251|14.517135|3.482649|3.481248|2.543203|5.928640|36.858105| |3.122929|4.124833|5.149950|8.031048|6.377223|6.071125|3.498497|3.090506|2.575332|2.401493|2.576855|3.093038|14.092866|3.411651|3.409837|2.439272|6.142192|15.784933|73.516695| |3.426363|4.409771|6.334521|7.513202|4.937527|5.518621|3.116548|2.758520|2.306222|2.154276|2.310932|2.766545|12.762494|3.067676|3.063954|2.284281|4.023198|12.388715|14.506144|36.858105| |2.711212|3.314425|4.270997|5.043990|3.838346|4.337327|2.591474|2.356343|2.021878|1.899322|2.015243|2.345838|11.501696|2.783499|2.789021|2.055083|3.445199|7.776139|13.227475|12.820066|53.358707| |2.609522|3.214925|4.029419|5.039243|3.983455|4.368874|2.632860|2.380900|2.051007|1.938083|2.065977|2.404328|11.737490|2.859185|2.845719|2.077071|3.736425|8.106488|16.836861|9.535555|25.578132|0.500000| |2.509002|3.005462|3.730971|4.303788|3.450766|3.969677|2.423695|2.276712|1.962814|1.817285|1.888658|2.163290|11.098101|2.662395|2.729080|1.984718|3.176455|5.962719|10.683686|7.665889|17.300483|0.261200|36.858105| |2.106523|2.462540|2.918851|3.344707|2.856958|3.326918|2.100648|1.993308|1.755363|1.640437|1.698184|1.910812|10.187683|2.462641|2.518770|1.818672|2.765233|4.374229|8.541032|5.016072|10.512108|0.206594|12.536958|36.858105| |1.940650|2.228952|2.622330|2.918944|2.507395|2.977931|1.898487|1.786609|1.590825|1.507024|1.571944|1.760000|9.439624|2.300137|2.319236|1.696432|2.416859|3.709405|7.046258|4.428708|9.145189|0.178729|7.561702|12.566349|36.858105| |2.040996|2.343278|2.796664|3.063760|2.578303|3.080240|1.945893|1.805249|1.603156|1.529163|1.611389|1.816991|9.541708|2.332349|2.323942|1.722292|2.431848|3.906479|7.131552|4.997168|10.488161|0.192770|6.808215|7.718797|14.373948|36.858105| |2.408097|2.821445|3.510898|3.837430|3.066404|3.631476|2.231146|2.033932|1.779136|1.694186|1.802503|2.068988|10.417803|2.539236|2.517486|1.881344|2.782648|5.100114|8.688714|7.649058|17.371445|0.256781|7.745073|6.453791|7.598293|12.680089|36.858105| |1.686344|1.901953|2.178644|2.391961|2.121427|2.560047|1.666958|1.584849|1.431129|1.361823|1.412569|1.559766|8.643089|2.113015|2.133083|1.556574|2.082687|2.904822|5.542125|3.290846|6.007483|0.122068|4.916974|7.410590|12.785856|7.733217|4.907402|36.858105| |1.567955|1.740448|1.977312|2.118537|1.887137|2.318671|1.520905|1.448822|1.316787|1.257970|1.304046|1.431911|8.037310|1.966883|1.981023|1.458322|1.836743|2.501366|4.642503|2.862040|4.948264|0.097808|3.917010|5.085506|7.608160|6.307191|4.246964|13.683946|36.858105| |1.409736|1.549783|1.733458|1.848938|1.676403|2.076849|1.379773|1.322598|1.212968|1.162329|1.200380|1.306334|7.492224|1.837624|1.852236|1.361224|1.648659|2.137986|3.980763|2.377805|3.943400|0.079313|3.104051|3.888935|5.042377|4.364069|3.257209|7.898522|13.762085|36.858105| |1.353545|1.490595|1.653467|1.781321|1.636725|2.020769|1.351982|1.301908|1.199023|1.149138|1.182973|1.281447|7.435347|1.826354|1.845450|1.345153|1.634072|2.053306|3.886775|2.221520|3.652998|0.075233|2.898329|3.690651|4.451989|3.732624|2.891134|6.830221|7.936771|13.753513|36.858105| |1.426458|1.587031|1.764333|1.932996|1.781005|2.172801|1.450371|1.396980|1.282606|1.225864|1.261282|1.369572|7.902335|1.940333|1.965407|1.420272|1.798436|2.257104|4.365572|2.402467|4.017800|0.084632|3.237878|4.343044|5.041733|3.968665|3.072002|7.898249|6.884456|7.951324|13.749814|36.858105| |1.591063|1.793697|2.023480|2.247721|2.040217|2.454521|1.617060|1.548365|1.407342|1.339679|1.383181|1.516381|8.550054|2.094352|2.121419|1.531647|2.051063|2.698165|5.287393|2.905137|5.097118|0.108327|4.197758|6.257380|7.604438|5.259122|3.857915|13.677434|7.948994|6.884015|7.936293|13.765112|36.858105| |17.563608|8.867706|5.810289|4.427857|4.670641|9.056533|6.329379|5.002509|4.133932|4.026783|4.615861|5.934882|21.627941|4.967322|4.751288|4.141058|3.605292|3.359946|5.108076|3.066670|3.375315|0.067171|2.272534|1.943709|1.812950|1.913242|2.239022|1.588612|1.482616|1.340176|1.289545|1.356453|1.504704|0.500000| |17.563363|8.866953|5.810597|4.427700|4.669274|9.053823|6.328713|5.941025|4.619387|4.027167|4.131930|4.998659|21.630372|4.748939|4.971999|4.140313|3.603800|3.357641|5.105441|3.058269|3.387322|0.066686|2.366529|2.005802|1.833932|1.903147|2.206392|1.607741|1.496170|1.352864|1.304610|1.375663|1.527234|0.302035|0.500000| |17.603891|8.999116|6.990351|4.653550|4.360730|7.618608|4.690984|4.083762|3.345533|3.105908|3.343946|4.081044|17.554016|4.027095|4.029546|3.366809|3.286697|3.594041|5.275677|3.479863|3.732316|0.071958|2.534052|2.114393|1.966254|2.086929|2.479750|1.705247|1.598013|1.432655|1.365347|1.429380|1.593479|0.301632|0.301620|0.500000| |6.494926|8.890341|17.777007|8.421787|5.751968|7.999276|4.165810|3.550458|2.849477|2.629291|2.848883|3.549336|15.042777|3.536934|3.537821|2.755811|3.997996|6.397109|8.100851|6.720114|6.029774|0.110918|3.842448|2.961151|2.705621|2.939163|3.771840|2.234074|2.050398|1.786033|1.683997|1.779855|2.041044|0.143998|0.143975|0.199105|0.500000| |5.078400|5.631879|4.441460|4.440623|5.681858|9.796191|8.923992|17.730763|8.904355|5.651103|4.942911|5.637941|27.739507|5.750534|6.912730|4.661018|5.138569|3.467836|5.683435|2.877557|3.347214|0.068425|2.425667|2.105248|1.861596|1.865930|2.099188|1.646693|1.501308|1.367553|1.345851|1.446669|1.608037|0.125888|0.165634|0.113418|0.102426|0.500000| |3.524581|3.516006|2.917960|2.920286|3.548196|5.672840|5.651604|8.907039|17.754793|8.919160|5.634326|4.944996|47.207324|8.190048|13.371404|7.222822|3.584577|2.460019|4.192392|2.123641|2.570655|0.053068|1.861034|1.677485|1.517309|1.518326|1.668436|1.374581|1.267550|1.172785|1.162485|1.242657|1.357213|0.096956|0.112015|0.082714|0.071259|0.214013|0.500000| |3.522010|3.514391|2.916827|2.919954|3.549574|5.672959|5.651744|4.945106|5.634213|8.918509|17.754472|8.907602|47.200160|13.353312|8.185819|7.233256|3.589318|2.462057|4.196152|2.130178|2.557719|0.053667|1.752924|1.591868|1.488690|1.530757|1.702886|1.345889|1.247667|1.152893|1.136989|1.208956|1.319561|0.111901|0.096894|0.082659|0.071239|0.107412|0.124160|0.500000| |5.071197|5.625310|4.437367|4.439075|5.686658|9.795868|8.923725|5.637944|4.942790|5.650958|8.904283|17.730842|27.738422|6.909922|5.749225|4.664065|5.151540|3.473266|5.692254|2.893732|3.318644|0.069717|2.199667|1.942962|1.809421|1.889064|2.168957|1.597975|1.468542|1.336266|1.306690|1.394207|1.546391|0.165335|0.125744|0.113285|0.102364|0.124207|0.107410|0.214026|0.500000| |2.847212|2.609594|2.210630|2.128271|2.422889|3.834226|3.512312|3.692522|4.658562|6.116824|5.370916|4.017974|59.869966|12.847049|10.109163|25.991210|2.381619|1.846656|3.135149|1.668803|2.038175|0.041996|1.435757|1.314648|1.233531|1.259051|1.379002|1.131172|1.062513|0.991284|0.977227|1.029230|1.109636|0.087610|0.084206|0.069913|0.056389|0.087838|0.122408|0.156917|0.098305|0.500000| |2.849125|2.610566|2.211237|2.128471|2.422778|3.834797|3.512926|4.015897|5.365532|6.118027|4.663576|3.695323|59.868405|10.109141|12.844319|25.991371|2.380809|1.846349|3.134396|1.667641|2.040817|0.041879|1.458003|1.332823|1.239892|1.256270|1.371565|1.137801|1.067331|0.996229|0.983510|1.037246|1.118263|0.084295|0.087655|0.069959|0.056405|0.098226|0.156582|0.122591|0.087918|0.310493|0.500000| |3.620792|4.684309|4.422585|5.749503|8.919195|9.249264|6.490763|5.098624|4.218579|4.115364|4.741100|6.110048|22.074406|5.430229|5.143854|3.530742|17.568278|4.819151|8.862340|3.503778|4.148622|0.092017|2.771475|2.467092|2.212793|2.247216|2.551289|1.932215|1.719884|1.555149|1.543524|1.689969|1.907727|0.099497|0.094491|0.086499|0.099235|0.127835|0.099107|0.115466|0.170456|0.070327|0.068524|0.500000| |3.285094|4.351639|4.609478|6.855516|8.958211|7.703671|4.745104|4.127245|3.388336|3.146879|3.392896|4.135228|17.812057|4.313300|4.308604|2.946070|17.694237|6.695146|14.350658|4.360138|5.284989|0.121844|3.561509|3.134959|2.700836|2.689420|3.056946|2.307916|2.002140|1.787799|1.780576|1.983543|2.289438|0.086198|0.086138|0.081644|0.105007|0.114548|0.084078|0.084240|0.114941|0.058434|0.058405|0.300896|0.500000| |3.616366|4.679801|4.422904|5.756518|8.919007|9.231200|6.469713|6.080071|4.723271|4.105419|4.212186|5.091281|22.035291|5.140731|5.416973|3.524374|17.565872|4.822615|8.875560|3.496051|4.177452|0.090954|2.951617|2.601787|2.254249|2.233695|2.506459|1.969317|1.742941|1.576592|1.571140|1.729532|1.956773|0.094386|0.099328|0.086423|0.099239|0.169510|0.115041|0.099027|0.127801|0.068425|0.070172|0.302673|0.300840|0.500000| |3.466029|4.359921|6.178713|6.637455|4.562927|5.316360|3.032789|2.634241|2.226178|2.116055|2.305236|2.767900|12.575966|3.047986|2.986562|2.266291|3.707300|8.841296|11.381032|17.602930|12.335749|0.209619|5.649336|4.177204|3.996852|4.766231|7.545300|3.056715|2.730164|2.283611|2.117652|2.257088|2.684748|0.087958|0.083887|0.099352|0.191325|0.074775|0.056593|0.059647|0.082278|0.046373|0.045767|0.093313|0.109048|0.088596|0.500000| |3.607069|4.543189|6.622784|6.808803|4.591841|5.418235|3.069935|2.774373|2.309796|2.129952|2.253779|2.678930|12.636407|3.005328|3.048385|2.283625|3.669209|8.686965|10.868824|17.639460|12.329877|0.185342|7.440332|4.710163|4.096136|4.498470|6.419900|3.111964|2.761838|2.305867|2.142034|2.291428|2.737212|0.087244|0.090331|0.104444|0.214593|0.081897|0.059529|0.057375|0.076541|0.046249|0.046687|0.088463|0.106726|0.091775|0.301391|0.500000| |2.501167|2.929591|3.632056|3.929953|3.153713|3.759119|2.306837|2.182167|1.887355|1.744533|1.805537|2.058510|10.699588|2.556646|2.631173|1.933180|2.840674|5.025045|8.395628|6.846629|12.437364|0.182707|17.609891|8.788887|6.636954|6.342149|7.264022|4.589337|3.896205|3.080888|2.807182|3.033913|3.803541|0.062506|0.065724|0.071496|0.108030|0.064851|0.049919|0.046581|0.057992|0.038907|0.039630|0.069580|0.085748|0.074185|0.148197|0.214116|0.500000| |2.681937|3.275949|4.055748|4.867592|3.920002|4.409970|2.668339|2.530157|2.153641|1.966365|2.028182|2.333322|11.900601|2.834002|2.942550|2.112979|3.619522|6.750654|12.294046|7.347802|12.375743|0.222031|17.655147|8.807988|5.519033|4.973538|5.643778|4.043354|3.288064|2.718863|2.605994|2.934882|3.694227|0.066759|0.070976|0.074112|0.112048|0.076022|0.056779|0.051768|0.065096|0.042222|0.043202|0.085130|0.113664|0.094592|0.145415|0.204538|0.300024|0.500000| |1.985618|2.285780|2.661547|2.981603|2.599261|3.083169|1.972864|1.901586|1.685291|1.566965|1.605656|1.789436|9.801780|2.359304|2.440299|1.755703|2.525191|3.707047|7.069400|4.146558|7.652607|0.147464|8.970009|17.578523|8.896904|5.859019|4.957995|6.986665|5.051054|3.985319|3.827863|4.493956|6.238058|0.050784|0.053145|0.055473|0.075183|0.056209|0.045135|0.041782|0.050097|0.035154|0.035887|0.062678|0.078262|0.067375|0.097529|0.114058|0.218405|0.207531|0.500000| |2.073540|2.442581|2.855395|3.374286|2.956859|3.383172|2.151033|2.041350|1.802056|1.686880|1.746670|1.961932|10.477512|2.541507|2.596348|1.853896|2.961716|4.443820|9.370369|4.654821|9.164152|0.209764|8.884971|17.536966|8.851694|6.155118|5.390239|6.450447|4.435268|3.587292|3.578790|4.413148|6.394256|0.053484|0.054973|0.057038|0.078438|0.059671|0.047806|0.045503|0.055361|0.037140|0.037612|0.073249|0.095776|0.077357|0.108561|0.117156|0.173713|0.220242|0.304562|0.500000| |1.889778|2.135169|2.505997|2.693882|2.308363|2.801518|1.792020|1.662450|1.490100|1.432273|1.512275|1.693353|9.006888|2.212033|2.188916|1.632802|2.187491|3.306783|5.994605|4.097065|7.580439|0.145271|4.930252|5.509497|9.119546|17.729324|8.738702|7.097061|6.778485|4.696702|3.855933|3.908131|4.881914|0.049680|0.048938|0.053863|0.073372|0.047414|0.039243|0.040183|0.049098|0.033258|0.033040|0.057003|0.066487|0.055954|0.114075|0.103980|0.133103|0.107948|0.127391|0.131356|0.500000| |2.421472|2.834684|3.499990|3.824033|3.085058|3.660932|2.254421|2.025624|1.778617|1.713296|1.844491|2.124418|10.532133|2.586814|2.525796|1.900951|2.805871|4.978611|8.499828|6.978592|12.438482|0.228542|5.655743|4.981974|5.812676|8.891643|17.600709|4.200145|3.735566|2.973463|2.671589|2.823365|3.448761|0.063448|0.060935|0.069058|0.103584|0.057299|0.046035|0.048733|0.062766|0.038886|0.038304|0.072797|0.085387|0.069157|0.222596|0.154481|0.145309|0.127208|0.110352|0.125731|0.215592|0.500000| |2.477316|2.853717|3.571180|3.696706|2.934964|3.570558|2.192397|2.007063|1.754679|1.666213|1.767075|2.025636|10.254622|2.487611|2.476185|1.868388|2.603812|4.633186|7.467382|7.214550|12.411326|0.181125|6.808123|5.389226|6.061866|8.820904|17.572470|4.276613|3.938353|3.066579|2.682865|2.780041|3.379672|0.063507|0.062959|0.072263|0.111094|0.057769|0.045801|0.046310|0.058797|0.038103|0.037991|0.066387|0.077570|0.065828|0.205342|0.192215|0.209143|0.143130|0.124879|0.123070|0.199249|0.302151|0.500000| |1.610015|1.778756|2.031963|2.145272|1.891888|2.341128|1.529156|1.451939|1.316871|1.258759|1.307816|1.439834|8.027776|1.962319|1.972223|1.463406|1.815171|2.519680|4.574071|2.962197|5.066427|0.097039|3.924433|4.737976|7.031219|6.759834|4.586203|8.896383|17.723312|8.945172|5.652809|4.958746|5.646446|0.042233|0.042518|0.045950|0.059299|0.041773|0.035149|0.034758|0.041119|0.029685|0.029782|0.047252|0.054512|0.047698|0.079559|0.080296|0.112798|0.090218|0.128845|0.111404|0.216381|0.110972|0.123119|0.500000| |1.340883|1.461133|1.625890|1.713930|1.558143|1.948401|1.299852|1.247355|1.148162|1.102743|1.138353|1.234812|7.135653|1.751068|1.762628|1.302258|1.525512|1.955144|3.597032|2.178355|3.526676|0.070315|2.739698|3.277122|4.110362|3.774827|2.935439|5.632805|8.935563|17.726426|8.912946|5.650243|4.958506|0.035493|0.035772|0.037997|0.046747|0.035767|0.030873|0.030440|0.035098|0.026383|0.026494|0.040151|0.045571|0.040591|0.058746|0.059169|0.076883|0.067273|0.093315|0.083880|0.115328|0.075400|0.078611|0.216381|0.500000| 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