Version2.0 2020-01-08T06:57:16Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 11-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H]1C[C@H](CN(C1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3c(c4c(s3)C([NH2+]C(C4)(C)C)(C)C)C(=O)N)C C17244490 RHF 6-31G(d) (6D,7F) C[C@H]1C[C@H](CN(C1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3c(c4c(s3)C([NH2+]C(C4)(C)C)(C)C)C(=O)N)C C01[X(C26H37N4O4S2)] 213 C1 622 C[C@@H]1C[C@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)N)CC([NH2+]C2(C)C)(C)C C[C@@H]1C[C@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)N)CC([NH2+]C2(C)C)(C)C C[C@@H]1C[C@H](C)CN(C1)[S](=O)(=O)c2ccc(cc2)C(=O)Nc3sc4c(CC(C)(C)[NH2+]C4(C)C)c3C(N)=O InChIKey=PRPOPVDDYMLPIZ-IYBDPMFKSA-O InChI=1S/C26H36N4O4S2/c1-15-11-16(2)14-30(13-15)36(33,34)18-9-7-17(8-10-18)23(32)28-24-20(22(27)31)19-12-25(3,4)29-26(5,6)21(19)35-24/h7-10,15-16,29H,11-14H2,1-6H3,(H2,27,31)(H,28,32)/p+1/t15-,16+ InChI=1/C26H36N4O4S2/c1-15-11-16(2)14-30(13-15)36(33,34)18-9-7-17(8-10-18)23(32)28-24-20(22(27)31)19-12-25(3,4)29-26(5,6)21(19)35-24/h7-10,15-16,29H,11-14H2,1-6H3,(H2,27,31)(H,28,32)/p+1/t15-,16+/fC26H37N4O4S2/h28-29H,27H2/q+1 C[C@H]1C[C@H](CN(C1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3c(c4c(s3)C([NH2+]C(C4)(C)C)(C)C)C(=O)N)C C01[X(C26H37N4O4S2)] 213 C01 622 C[C@@H]1C[C@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)N)CC([NH2+]C2(C)C)(C)C C[C@@H]1C[C@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H]1SC2=C([C@@H]1C(=O)N)CC([NH2]C2(C)C)(C)C C[C@@H]1C[C@H](C)CN(C1)[S](=O)(=O)c2ccc(cc2)C(=O)N[C@@H]3SC4=C(CC(C)(C)[NH2]C4(C)C)[C@@H]3C(N)=O InChIKey=DMEXHDIQFGXMFB-UKIBHBBISA-N InChI=1S/C26H39N4O4S2/c1-15-11-16(2)14-30(13-15)36(33,34)18-9-7-17(8-10-18)23(32)28-24-20(22(27)31)19-12-25(3,4)29-26(5,6)21(19)35-24/h7-10,15-16,20,24H,11-14,29H2,1-6H3,(H2,27,31)(H,28,32)/t15-,16+,20-,24-/m1/s1 InChI=1/C26H39N4O4S2/c1-15-11-16(2)14-30(13-15)36(33,34)18-9-7-17(8-10-18)23(32)28-24-20(22(27)31)19-12-25(3,4)29-26(5,6)21(19)35-24/h7-10,15-16,20,24H,11-14,29H2,1-6H3,(H2,27,31)(H,28,32)/t15-,16+,20-,24-/m1/s1/f/h28H,27H2 4310.4263746762 -2318.1662311 1-A 35456.8749 142 480 622 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.26333 -92.09775 -20.64976 -20.64394 -20.60657 -20.60615 -15.84029 -15.72622 -15.69197 -15.65360 -11.47278 -11.46964 -11.46312 -11.45145 -11.45113 -11.38596 -11.38168 -11.37173 -11.36943 -11.36884 -11.36703 -11.36451 -11.35720 -11.35049 -11.34901 -11.34394 -11.33600 -11.33480 -11.33306 -11.32031 -11.31949 -11.28335 -11.28271 -11.27168 -11.26579 -11.26448 -9.23441 -9.10634 -6.92102 -6.92041 -6.91954 -6.78863 -6.78761 -6.78576 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1.6475 4.4154 1.2919 3.6109 9.2881 2.4836 11.5336 19.2189 5.8235 7.3518 5.1173 1.5667 1.2418 3.2149 1.4347 3.4787 9.8235 35.6120 0.9632 14.9503 58.7447 118.3393 15.0804 7.4780 9.6387 2.2508 5.8782 0.0107 1.4862 24.9492 20.6948 30.5311 14.7587 17.8462 14.1532 3.1303 4.4089 0.5150 133.0595 7.3920 33.3713 6.3926 293.1707 8.3807 176.6132 66.9349 3.4156 33.1423 68.9984 11.6223 228.6616 0.1997 55.1719 67.2473 96.2541 110.1355 179.5861 114.7093 67.1689 30.9565 65.5147 30.1553 189.7280 63.6824 72.2847 28.8141 46.9807 35.6749 97.2777 54.7003 48.3113 31.2604 48.3672 28.0124 65.6553 34.9206 42.9827 103.8693 51.3451 34.1425 81.8995 76.5200 53.4579 0.7500 0.7244 0.7075 0.6827 0.7006 0.7455 0.7436 0.7342 0.6375 0.7013 0.4956 0.3728 0.4411 0.7336 0.4161 0.6839 0.7366 0.3910 0.7158 0.3536 0.7359 0.5432 0.6493 0.7498 0.7369 0.4053 0.4205 0.5977 0.4659 0.4223 0.7331 0.6516 0.2043 0.5883 0.2633 0.5976 0.7094 0.3313 0.6292 0.1531 0.6127 0.2318 0.5000 0.1320 0.6132 0.6379 0.3882 0.1147 0.6781 0.0873 0.6446 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0.4003 0.3509 0.8570 0.8565 0.8565 0.8477 0.7646 0.8536 0.8569 0.8526 0.6226 0.7838 0.8542 0.8374 0.8561 0.3346 0.8359 0.8570 0.8570 0.8566 0.6118 0.7363 0.8097 0.8242 0.8486 0.7320 0.3058 0.4641 0.8530 0.7794 0.8565 0.8038 0.7329 0.8391 0.6093 0.8445 0.8571 0.8531 0.7315 0.8571 0.8352 0.5042 0.8056 0.4002 0.4236 0.3856 0.6707 0.5902 0.5783 0.7987 0.4660 0.2379 0.7043 0.4344 0.3831 0.1100 0.0273 0.8432 0.0680 0.1000 0.8562 0.2446 0.1341 0.1119 0.4401 0.8147 0.5585 0.8490 0.7446 0.8494 0.8147 0.8192 0.8326 0.8494 0.6616 0.7994 0.8557 0.6762 0.3463 0.7805 0.5021 0.8450 0.3468 0.2421 0.1669 0.8311 0.2137 0.2751 0.7880 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 61 62 63 64 65 66 67 68 69 70 71 72 73 6 6 1 6 6 1 6 7 6 16 8 8 6 6 6 6 6 6 6 8 7 6 6 6 6 16 6 7 1 1 6 6 6 6 6 6 6 8 7 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 1 1 1 1 1 1 12.00000 12.00000 1.00783 12.00000 12.00000 1.00783 12.00000 14.00307 12.00000 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 7355.0334 58668.3446 60720.5050 0.99997 0.00387 -0.00644 -0.00383 0.99997 0.00687 0.00647 -0.00684 0.99996 1 0.01178 0.00148 0.00143 0.24537 0.03076 0.02972 14.41 18.98 34.27 42.18 50.98 61.28 86.03 108.50 124.14 129.55 147.46 167.79 189.46 203.54 223.19 227.68 235.88 238.93 275.46 306.87 316.79 327.43 353.63 357.28 359.16 373.04 384.55 391.98 398.16 410.67 422.92 446.06 454.04 457.58 461.76 474.92 495.21 514.64 529.93 552.53 561.21 589.54 608.25 611.30 625.37 649.81 653.96 663.27 691.15 692.28 697.91 701.72 713.34 719.22 741.30 804.30 805.92 840.90 851.47 886.28 931.53 949.99 963.99 973.89 991.98 1001.60 1012.84 1064.65 1112.31 1135.62 1140.98 1169.14 1217.33 1225.85 1250.42 1265.95 1308.43 1314.13 1331.53 1337.18 1339.26 1357.31 1377.87 1403.60 1404.74 1442.80 1447.21 1461.92 1478.19 1481.71 1494.62 1502.88 1510.25 1525.53 1549.19 1592.57 1602.94 1610.13 1616.96 1621.58 1630.06 1639.39 1642.98 1647.92 1687.65 1725.22 1730.78 1751.50 1769.55 1774.64 1794.62 1807.65 1816.94 1828.43 1838.09 1863.24 1871.11 1879.57 1884.11 1895.74 1905.21 1924.15 1941.71 1974.48 2006.84 2021.00 2049.25 2051.41 2063.42 2068.88 2096.14 2097.76 2111.67 2130.38 2143.78 2177.05 2194.45 2207.46 2210.09 2233.95 2245.85 2250.61 2253.34 2253.97 2258.29 2261.11 2262.53 2269.16 2290.23 2301.99 2323.13 2324.75 2332.50 2337.72 2348.88 2350.77 2355.94 2363.91 2364.53 2365.75 2366.13 2368.13 2368.16 2373.65 2385.56 2390.51 2394.39 2413.84 2489.98 2536.65 2576.31 2595.99 2606.99 2613.16 2831.11 2840.52 4541.55 4547.97 4565.43 4602.28 4604.37 4618.76 4619.38 4622.00 4625.20 4637.51 4643.89 4658.27 4659.24 4689.21 4692.14 4708.17 4709.42 4713.56 4722.71 4742.02 4749.34 4758.71 4768.14 4775.59 4790.64 4795.19 4797.84 4821.72 4855.22 4904.15 4921.03 4925.10 5283.05 5376.92 5429.18 5544.35 5585.19 0.664012 0.697876 0.698820 0.596629 -2317.502219 -2317.468356 -2317.467411 -2317.569602 3.427503D-04 MUNgauss RevisionA2.0 retrievium 08-Jan-2020 DUDE C[C@H]1C[C@H](CN(C1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3c(c4c(s3)C([NH2+]C(C4)(C)C)(C)C)C(=O)N)C C17244490 RHF 6-31G(d) (6D,10F) C1 533.225625 |X|Y|Z| 175.947439 52.912046 41.221537 72.669788 24 6 7 16 19 3 2 |36.858105| |12.461584|36.858105| |8.898529|17.527160|0.500000| |7.510152|12.442452|0.247471|36.858105| |4.884568|7.505020|0.190508|12.442475|36.858105| |4.535832|6.858002|0.205555|8.909013|17.527328|0.500000| |4.385669|6.486710|0.160550|7.585775|12.455439|0.249735|36.858105| |5.007626|7.763142|0.196950|6.657086|7.763234|0.196933|12.994033|53.358707| |7.585165|12.455917|0.249725|7.586131|6.486432|0.160525|7.692586|17.680458|36.858105| |3.710483|4.853732|0.132485|4.243317|4.854371|0.132493|7.143824|15.927366|7.140640|388.023441| |3.741388|4.611952|0.131320|3.735001|3.938522|0.111156|4.982198|10.504740|6.555603|94.895532|73.516695| |3.067979|3.940561|0.111298|3.735546|4.612721|0.131461|6.549460|10.503452|4.981461|94.848040|13.592736|73.516695| |3.251548|3.904256|0.100381|3.582615|3.909819|0.100500|5.591525|9.427557|5.575462|75.858483|13.136785|13.145140|36.858105| |3.261650|3.674015|0.093250|3.256086|3.320880|0.085491|4.337490|7.336950|5.201242|49.240017|11.536352|8.861120|13.731481|36.858105| |2.792140|3.025239|0.076674|2.785846|2.821057|0.072234|3.536662|5.459816|3.954166|33.547325|7.880408|6.852476|7.961979|13.780445|36.858105| |2.471328|2.706733|0.069005|2.602300|2.711765|0.069113|3.409172|4.917482|3.399503|29.781049|6.600316|6.605583|6.894663|7.930370|13.706840|36.858105| |2.468455|2.797009|0.071808|2.761995|3.007296|0.076411|3.928804|5.425531|3.500389|33.567338|6.867618|7.918765|7.964031|6.858244|7.914006|13.701473|36.858105| |2.778626|3.290560|0.084966|3.224836|3.645783|0.092838|5.148060|7.270247|4.286035|49.319735|8.896109|11.635730|13.745390|7.898885|6.856138|7.925211|13.768582|36.858105| |2.143140|2.282676|0.058521|2.219149|2.280292|0.058467|2.738096|3.860378|2.742196|22.423540|5.158142|5.138831|4.476317|5.088360|7.742754|12.750688|7.514448|5.020012|36.858105| |2.117353|2.202013|0.056220|2.125815|2.135176|0.054747|2.504698|3.555909|2.611785|20.100957|4.752527|4.539666|3.821865|4.531754|6.726423|8.044445|5.306217|4.012009|15.931695|73.516695| |1.895668|2.029759|0.052697|2.002917|2.091865|0.054117|2.482937|3.424768|2.383302|19.945346|4.561388|4.776877|3.777797|3.972614|5.236883|7.822076|6.540414|4.457110|13.839447|15.118318|53.358707| |1.692155|1.786925|0.046601|1.771776|1.835453|0.047727|2.122908|2.907839|2.050562|16.585090|3.858210|4.006145|2.970335|3.124504|3.918875|5.077449|4.467331|3.380668|7.790758|12.144634|18.822832|36.858105| |1.530968|1.620093|0.042616|1.617647|1.688911|0.044252|1.931539|2.620870|1.832777|14.921352|3.474110|3.685400|2.580844|2.639654|3.144125|3.909053|3.713354|2.949025|5.126672|8.156813|10.611437|13.957600|36.858105| |1.408718|1.473360|0.038797|1.472975|1.522744|0.039976|1.711691|2.320240|1.644044|12.998188|3.061554|3.197408|2.191518|2.261197|2.650880|3.135235|2.949986|2.437687|3.998563|6.905915|7.081636|8.168057|13.167538|36.858105| |1.439173|1.489637|0.039029|1.483117|1.514465|0.039614|1.694889|2.310134|1.661157|12.819449|3.042238|3.104374|2.166519|2.283003|2.713233|3.144282|2.852730|2.363809|4.130181|7.658804|6.776462|7.699344|8.211790|14.198998|36.858105| |1.644155|1.700236|0.044141|1.679249|1.703383|0.044213|1.932302|2.660214|1.927873|14.811530|3.510487|3.513933|2.588217|2.807567|3.507988|4.143385|3.511128|2.808742|6.129548|12.462429|9.513530|10.979056|7.383453|7.395502|10.926246|388.023441| |1.333555|1.366284|0.035857|1.361088|1.378476|0.036146|1.520642|2.071939|1.504748|11.359117|2.719245|2.746004|1.878209|1.982821|2.308364|2.579277|2.356657|2.012970|3.224679|6.144686|4.920923|4.822616|5.033896|7.464178|12.627229|47.963468|36.858105| |1.222982|1.257442|0.033192|1.258791|1.282804|0.033803|1.406749|1.905754|1.374310|10.447246|2.497692|2.557106|1.700776|1.766653|2.013729|2.245764|2.111628|1.831427|2.703111|4.966160|4.185767|3.950565|4.509248|6.841747|7.808308|33.014136|12.420005|53.358707| |1.218861|1.254662|0.033072|1.264378|1.290559|0.033933|1.411247|1.896948|1.365794|10.329192|2.454627|2.536083|1.676340|1.727758|1.958245|2.194083|2.088372|1.815193|2.614687|4.765035|4.044074|3.752470|4.283966|6.215086|6.720784|30.538116|9.224101|25.709112|0.500000| |1.165103|1.192168|0.031527|1.191177|1.209012|0.031936|1.317790|1.789727|1.296604|9.780204|2.352244|2.390208|1.577415|1.642841|1.858135|2.040054|1.916041|1.682229|2.417998|4.481295|3.655885|3.329496|3.679400|5.091795|5.800824|27.921308|9.160067|25.692776|0.330163|0.500000| |1.192188|1.234637|0.032766|1.234709|1.268797|0.033603|1.396348|1.893469|1.352266|10.490781|2.506869|2.594005|1.702853|1.751942|1.982924|2.225544|2.124107|1.846514|2.643227|4.709401|4.212702|3.959714|4.923009|7.556441|6.626569|29.503000|7.120645|16.897139|0.257722|0.253417|36.858105| |1.275245|1.332931|0.035319|1.338178|1.387277|0.036641|1.541976|2.079758|1.470043|11.596783|2.739805|2.885936|1.906460|1.941191|2.211291|2.553032|2.470865|2.109158|3.065698|5.284506|5.157031|5.053913|7.281050|12.633898|7.609553|33.578442|6.208672|10.547808|0.200528|0.158600|12.454972|36.858105| |1.100493|1.139092|0.030331|1.144699|1.178061|0.031294|1.285259|1.733131|1.236293|9.540425|2.279203|2.375123|1.524214|1.553115|1.727976|1.920419|1.864087|1.649359|2.213896|3.920853|3.459443|3.083031|3.717838|4.951776|4.438854|22.469113|4.877421|10.626452|0.210451|0.203087|12.455128|7.543265|36.858105| |1.169913|1.208700|0.032198|1.198057|1.227881|0.032673|1.351852|1.853195|1.327000|10.352027|2.501395|2.552045|1.675161|1.738820|1.966446|2.172515|2.049043|1.794282|2.566520|4.605478|4.026432|3.697456|4.407967|6.004578|5.595624|27.621306|5.894379|10.318774|0.157966|0.196165|12.469517|7.496808|7.594153|36.858105| |1.353189|1.378207|0.035977|1.382697|1.391446|0.036286|1.523629|2.059540|1.506754|11.109609|2.648124|2.674289|1.827251|1.925897|2.227550|2.470912|2.268603|1.952555|3.037973|5.876571|4.460555|4.117225|4.079819|5.298829|7.549180|40.813446|12.400497|10.617833|0.222463|0.189625|4.944030|4.604224|3.983322|4.084730|36.858105| |1.300991|1.322735|0.034810|1.304640|1.311732|0.034546|1.441528|1.987482|1.455837|10.926275|2.653085|2.622744|1.793941|1.921076|2.230980|2.420282|2.176441|1.885454|2.984691|5.836105|4.371073|4.052522|4.037377|5.254916|7.478982|40.137078|12.422355|10.362742|0.160657|0.210956|5.521190|4.589230|4.073268|5.693886|7.600635|36.858105| |1.491287|1.596668|0.042319|1.603078|1.700104|0.044831|1.949658|2.624277|1.801228|15.095294|3.481091|3.825062|2.572450|2.543316|2.923467|3.630112|3.704930|3.007275|4.301330|6.569659|8.493721|7.489413|12.804401|7.436539|5.130589|33.588873|3.739362|4.955214|0.098694|0.085492|4.200147|6.176995|3.447244|3.816474|3.184678|3.140482|36.858105| |1.392714|1.489336|0.039597|1.507497|1.602570|0.042370|1.815153|2.417336|1.658706|13.726570|3.163830|3.513086|2.279007|2.229057|2.502066|3.022263|3.142754|2.645582|3.452849|5.439068|6.252213|5.359556|8.121630|6.506821|4.522043|27.826505|3.517615|4.951887|0.101446|0.085590|4.337642|6.593566|3.750208|3.766021|3.051613|2.917362|15.913511|73.516695| |1.571078|1.700415|0.045281|1.695670|1.816278|0.048136|2.113872|2.871412|1.940869|16.964952|3.894725|4.351032|2.925569|2.846535|3.243031|4.081952|4.310629|3.485090|4.565032|6.645193|8.919209|6.392934|7.819236|5.102281|4.023662|29.047476|3.078829|4.007937|0.079289|0.071487|3.312066|4.357894|2.808026|3.185435|2.683528|2.724176|13.852048|15.041561|53.358707| |3.756157|4.884553|0.125996|7.510078|12.461633|0.247190|7.584675|6.816182|4.385711|26.390344|5.452542|6.649892|3.258077|2.804446|2.492165|2.479070|2.777377|3.239206|2.139261|3.560938|2.722805|1.777317|1.653273|1.498799|1.484933|11.732564|1.356510|1.729875|0.035758|0.033254|1.255979|1.375545|1.174042|1.205427|1.378593|1.280336|1.673256|2.836767|2.406979|36.858105| |17.560263|8.799960|0.212738|6.854683|4.517938|0.119939|3.829367|5.625889|5.505349|22.509958|5.650170|4.850265|2.779342|2.758494|2.413719|2.178993|2.190554|2.441358|1.920565|3.378115|2.343705|1.553161|1.417480|1.312652|1.339254|10.764752|1.248733|1.567417|0.031946|0.030558|1.122707|1.196770|1.042086|1.100669|1.270432|1.218372|1.385129|2.315131|1.977210|3.643461|0.500000| |17.545543|8.762733|0.213078|5.465937|4.048801|0.108408|3.842105|6.287445|6.911639|26.035562|6.964736|5.307016|3.204269|3.308750|2.813827|2.441219|2.399834|2.687705|2.122143|3.749865|2.545515|1.671504|1.510343|1.391403|1.424361|11.589350|1.321556|1.647188|0.033361|0.032091|1.181161|1.258947|1.088292|1.166332|1.334194|1.298854|1.467643|2.429067|2.110462|3.176387|0.301994|0.500000| |17.528472|8.763743|0.173232|6.784177|4.520343|0.111432|4.209102|6.284847|6.836501|24.901457|6.140632|5.150445|3.259849|3.342068|2.929547|2.592590|2.554913|2.818922|2.264825|4.020406|2.700126|1.772849|1.592770|1.469063|1.510985|12.367651|1.401810|1.739799|0.035436|0.033803|1.237918|1.323430|1.139861|1.210672|1.432378|1.365557|1.537920|2.549307|2.189866|3.650947|0.301825|0.301151|0.500000| |6.854487|8.835487|0.214977|17.537447|8.835852|0.214993|5.516043|6.748401|5.516104|24.829683|5.657896|5.660026|2.983403|2.755542|2.408579|2.267454|2.390939|2.733978|1.974011|3.385621|2.451738|1.613873|1.485693|1.364053|1.373807|10.950769|1.270393|1.607194|0.032988|0.031149|1.157815|1.248401|1.079315|1.123774|1.293608|1.220316|1.474294|2.481282|2.110972|6.854528|0.205053|0.140453|0.167609|0.500000| |6.947304|8.846270|0.174170|17.469144|8.846024|0.174169|6.804905|7.887434|6.805844|27.857562|6.094229|6.091932|3.571766|3.313093|2.904455|2.731240|2.872269|3.273285|2.344902|4.021338|2.858287|1.859082|1.686371|1.538516|1.558026|12.624968|1.430546|1.791975|0.036827|0.034561|1.282984|1.391149|1.187038|1.238974|1.464588|1.366274|1.657151|2.767833|2.366171|6.947173|0.172518|0.141043|0.205919|0.303256|0.500000| |3.556652|4.892332|0.130235|5.527223|8.854132|0.219194|17.666059|12.479559|5.632219|50.064272|8.452123|14.162558|5.442928|4.045961|3.355915|3.341591|4.011444|5.406115|2.690303|4.304969|3.399485|2.132478|1.963183|1.728372|1.691735|13.571918|1.511034|1.916453|0.039264|0.036564|1.409185|1.565433|1.300466|1.363181|1.504398|1.426560|2.015499|3.348592|3.006154|6.891013|0.088882|0.089364|0.094597|0.123820|0.139414|0.500000| |4.189918|5.669540|0.132728|6.785672|8.822915|0.174710|17.458436|12.317102|6.884706|43.145799|7.805068|9.631915|5.790971|4.586358|3.869320|3.810610|4.423164|5.628262|3.040735|4.931550|3.708932|2.311926|2.080860|1.838106|1.827931|14.977496|1.632795|2.042953|0.041954|0.038912|1.480585|1.641958|1.357314|1.423827|1.647186|1.537151|2.081280|3.432808|3.045271|6.989975|0.101055|0.101418|0.118530|0.139266|0.199255|0.300468|0.500000| |6.989806|8.823339|0.174710|6.786959|5.670204|0.132729|6.885064|12.315112|17.460318|43.128496|9.649441|7.797721|5.771584|5.727736|4.474702|3.796112|3.810674|4.508990|3.046480|5.209236|3.522749|2.214549|1.952759|1.750834|1.783559|14.933967|1.612076|1.986749|0.040337|0.038169|1.425621|1.551563|1.297079|1.393319|1.624752|1.555453|1.895013|3.088053|2.757034|4.190552|0.141682|0.173397|0.207247|0.139283|0.199319|0.141748|0.202684|0.500000| |6.891035|8.853614|0.219152|5.527225|4.892126|0.130213|5.632677|12.478256|17.667499|50.037804|14.180949|8.454891|5.419057|5.427290|4.016728|3.326674|3.327258|4.009809|2.697016|4.604632|3.177513|2.013828|1.798525|1.616355|1.636679|13.521780|1.485216|1.844008|0.037206|0.035598|1.335726|1.445344|1.218785|1.321331|1.477504|1.450071|1.762839|2.875269|2.596419|3.556655|0.141219|0.205998|0.167514|0.123814|0.139428|0.127518|0.141756|0.300477|0.500000| |3.558308|3.916590|0.100145|3.294658|3.247851|0.084930|4.072132|7.283934|5.641528|47.076416|13.186044|8.164393|8.915988|17.761091|8.917539|5.641762|4.948298|5.635147|4.145286|6.950837|4.532294|2.731182|2.342510|2.049222|2.084759|17.993963|1.841850|2.240151|0.044619|0.042857|1.627800|1.779141|1.451127|1.627251|1.793958|1.808469|2.251459|3.548552|3.389682|2.690599|0.082322|0.103871|0.100011|0.077912|0.091766|0.103397|0.115404|0.167537|0.180214|0.500000| |2.677463|2.800884|0.071155|2.555792|2.526142|0.065102|3.046001|4.690638|3.552120|27.715394|6.879687|5.742430|5.653216|8.915664|17.756920|8.933151|5.643789|4.946386|7.252367|13.305552|6.621962|3.848217|3.059878|2.642822|2.772483|26.015668|2.385863|2.793256|0.055010|0.052901|1.999885|2.195366|1.733095|2.002752|2.300973|2.352220|2.768414|4.223636|4.083839|2.247918|0.064603|0.076063|0.078705|0.062279|0.074284|0.079730|0.091651|0.111744|0.102415|0.214265|0.500000| |2.225877|2.506191|0.064800|2.534043|2.787471|0.071057|3.536394|4.673953|3.018897|27.840939|5.770301|6.955031|5.672910|4.945072|5.619891|8.840463|17.721488|8.989802|6.844488|8.652252|9.695399|4.890296|4.185383|3.229648|3.037507|25.886313|2.472087|3.047451|0.062007|0.055895|2.271408|2.703949|1.994898|2.156358|2.374688|2.233427|4.335591|6.512720|6.908358|2.664397|0.055711|0.059742|0.063985|0.061820|0.073375|0.102644|0.110477|0.090309|0.079173|0.107456|0.123799|0.500000| |2.659140|3.207261|0.084223|3.243796|3.856378|0.099216|5.515659|7.181939|4.012388|47.200683|8.215224|13.409106|8.922898|5.635075|4.946981|5.638317|8.910916|17.763786|4.080076|5.955000|5.249866|3.046779|2.753208|2.294198|2.196142|18.004904|1.885053|2.369821|0.048215|0.044489|1.767548|2.023041|1.597111|1.709167|1.832807|1.756623|2.891065|4.621509|4.566339|3.502221|0.065890|0.070681|0.073989|0.076921|0.090033|0.177279|0.161754|0.113093|0.102429|0.124166|0.107475|0.216727|0.500000| |1.880310|2.041713|0.053360|2.025622|2.153038|0.055948|2.580764|3.531392|2.399282|20.930443|4.708134|5.145975|3.962662|3.956856|4.935182|7.434775|7.409470|4.932579|9.267569|10.859471|26.022806|9.435141|7.274923|4.745576|4.270309|37.520723|3.200032|3.864666|0.076872|0.069213|2.939046|3.655416|2.463662|2.806549|2.907285|2.844968|7.066260|9.010189|11.684792|2.064855|0.047536|0.051380|0.054175|0.050549|0.058514|0.073463|0.078130|0.071420|0.065031|0.091205|0.121586|0.250474|0.121110|0.500000| |1.250406|1.312698|0.034950|1.315127|1.370733|0.036383|1.526193|2.063536|1.449067|11.607963|2.746604|2.912539|1.898268|1.919208|2.166609|2.496242|2.446209|2.104557|2.934983|4.965029|4.966538|4.652212|6.798159|8.882132|5.741892|28.983248|4.746694|7.646771|0.145023|0.127065|8.948539|17.633071|6.638653|7.143981|3.675420|3.878620|6.769472|13.523211|6.531601|1.356492|0.032610|0.034351|0.035857|0.034093|0.037761|0.043308|0.044843|0.042204|0.039683|0.048883|0.059366|0.074488|0.056428|0.101005|0.500000| |1.263495|1.323263|0.035031|1.339256|1.392821|0.036716|1.542658|2.059724|1.451793|11.391442|2.671501|2.849878|1.861777|1.875290|2.116616|2.451739|2.417336|2.074699|2.892586|4.949542|4.819267|4.534422|6.249775|8.936436|6.196499|29.876852|5.351785|9.168468|0.203578|0.142581|8.797778|17.551570|7.252852|5.499721|4.443042|3.925816|5.772936|12.118094|5.559623|1.393120|0.033026|0.034483|0.036453|0.034767|0.038756|0.043598|0.045759|0.042574|0.039410|0.047673|0.057862|0.074379|0.055820|0.096387|0.307266|0.500000| |1.053785|1.085528|0.028935|1.088392|1.115014|0.029667|1.210451|1.637204|1.173878|8.985231|2.158932|2.229639|1.426467|1.460176|1.618359|1.775988|1.714255|1.529123|2.034590|3.644600|3.115671|2.731228|3.169714|4.080718|3.891840|20.442374|4.517193|9.507128|0.181733|0.214504|8.744727|5.475392|17.547550|6.992349|3.778352|4.040323|2.923628|5.521620|3.347268|1.109738|0.027773|0.029005|0.030317|0.028585|0.031333|0.033920|0.035422|0.034179|0.032226|0.038151|0.045379|0.050448|0.041080|0.061328|0.138178|0.144249|0.500000| |1.076624|1.118522|0.029887|1.123793|1.161831|0.030969|1.268260|1.710392|1.213801|9.459727|2.259976|2.370511|1.504222|1.523196|1.683357|1.871068|1.833861|1.631525|2.130384|3.724243|3.347069|2.931213|3.584999|4.517017|3.878753|20.525319|3.997561|7.638244|0.150945|0.146171|8.881133|6.910269|17.596149|6.868033|3.314252|3.466482|3.499513|6.946501|3.914916|1.157905|0.028339|0.029591|0.030857|0.029450|0.032244|0.035816|0.037045|0.035209|0.033271|0.039530|0.046638|0.054664|0.044129|0.067321|0.197217|0.185011|0.302341|0.500000| |1.103233|1.142656|0.030374|1.154963|1.189825|0.031533|1.294857|1.734128|1.236098|9.484193|2.253583|2.365179|1.512694|1.533216|1.700822|1.897369|1.856421|1.644137|2.176965|3.845518|3.393377|2.999146|3.588161|4.686692|4.229667|21.807029|4.630626|9.737325|0.230045|0.181232|8.731956|6.846634|17.549641|5.494297|4.072016|3.715813|3.358074|6.637031|3.703151|1.192966|0.029065|0.030193|0.031795|0.030281|0.033356|0.036399|0.038103|0.036081|0.033694|0.039718|0.047160|0.055528|0.044411|0.067321|0.161091|0.215953|0.299844|0.302866|0.500000| |1.234549|1.275919|0.033945|1.258050|1.287816|0.034239|1.426387|1.967977|1.410674|11.067884|2.682017|2.713635|1.809656|1.895991|2.170301|2.401732|2.229561|1.933980|2.889811|5.215020|4.559781|4.275742|5.011396|6.703596|6.445737|32.248148|6.227010|9.017237|0.139948|0.165569|8.729515|6.974560|5.499955|17.636567|4.150805|6.384902|4.133993|6.874784|4.755527|1.256370|0.032132|0.034278|0.035509|0.032659|0.036139|0.039883|0.041766|0.041228|0.039147|0.049177|0.061818|0.064752|0.050700|0.086937|0.186435|0.139837|0.140670|0.142059|0.122359|0.500000| |1.131755|1.173409|0.031385|1.163401|1.197752|0.031995|1.317806|1.805968|1.286359|10.130893|2.449172|2.516275|1.627450|1.675787|1.875666|2.069303|1.977578|1.746310|2.397842|4.231543|3.774117|3.365141|4.072077|5.125144|4.497237|23.814811|4.477682|7.551476|0.127711|0.145818|8.944260|6.684787|7.150828|17.593175|3.358279|4.317813|3.776574|6.790940|4.359060|1.176626|0.029623|0.031353|0.032394|0.030354|0.033280|0.037096|0.038365|0.037310|0.035611|0.043604|0.052668|0.057968|0.046533|0.074730|0.206539|0.142427|0.180628|0.212816|0.143350|0.302975|0.500000| |1.122205|1.152871|0.030729|1.141091|1.163489|0.030993|1.273109|1.748304|1.259585|9.712541|2.359680|2.385813|1.559243|1.625383|1.828022|1.989838|1.869608|1.653685|2.327695|4.239554|3.552372|3.177401|3.604128|4.683040|4.727878|24.641548|5.489010|9.558391|0.147015|0.213305|8.745884|5.465329|6.784493|17.555076|3.968123|5.889249|3.148842|5.530894|3.686950|1.142035|0.029398|0.031128|0.032277|0.029827|0.032784|0.035535|0.037182|0.036722|0.034904|0.042588|0.052091|0.054149|0.043758|0.068502|0.142547|0.122714|0.204610|0.164709|0.139753|0.299933|0.302970|0.500000| |1.437163|1.456119|0.037824|1.455994|1.454766|0.037793|1.595265|2.164952|1.597055|11.631841|2.777903|2.771711|1.926364|2.055655|2.402985|2.644267|2.380809|2.042169|3.292052|6.606905|4.663173|4.208396|3.902837|4.707150|6.757846|45.150865|8.826640|7.623656|0.154122|0.141580|4.023978|3.904276|3.290329|3.537496|17.611587|6.953835|3.032380|5.050539|3.568873|1.434595|0.037355|0.039391|0.042502|0.037740|0.043043|0.043441|0.048127|0.048193|0.043521|0.053260|0.069810|0.068340|0.052739|0.082724|0.089953|0.103982|0.087332|0.078733|0.092414|0.103273|0.082533|0.095685|0.500000| |1.271643|1.288820|0.033737|1.292984|1.296911|0.033927|1.408191|1.904310|1.398138|10.227584|2.450602|2.465288|1.659669|1.746231|1.992091|2.173817|2.010511|1.758859|2.602609|5.014969|3.764766|3.350395|3.362914|4.247315|5.497120|31.209450|8.751725|9.718301|0.206185|0.201414|4.537653|3.978400|3.895837|3.838932|17.542715|6.945193|2.744296|4.754919|3.202660|1.287334|0.033316|0.034870|0.037340|0.033780|0.037972|0.038598|0.042077|0.041711|0.038152|0.045593|0.057274|0.058113|0.046120|0.069365|0.090763|0.107773|0.107320|0.089188|0.111074|0.105034|0.088380|0.108515|0.302578|0.500000| |1.365769|1.398214|0.036452|1.414725|1.431129|0.037215|1.567357|2.097452|1.525462|11.265489|2.660299|2.727828|1.852617|1.928469|2.218429|2.496156|2.333969|2.003524|3.041511|5.736020|4.537918|4.163665|4.220323|5.407499|6.964347|38.111826|8.740571|9.583900|0.234459|0.163238|4.804815|4.788118|4.019686|3.772151|17.563366|5.499992|3.347558|5.820214|3.774502|1.429141|0.035663|0.037197|0.040174|0.036758|0.041728|0.043116|0.047276|0.045719|0.041271|0.049578|0.062704|0.068891|0.052604|0.083205|0.104771|0.137035|0.102717|0.093420|0.119845|0.104479|0.088721|0.099238|0.302776|0.298879|0.500000| |1.276154|1.301543|0.034401|1.278315|1.289751|0.034114|1.420757|1.968824|1.436199|10.925796|2.665475|2.631344|1.790867|1.917082|2.220253|2.402499|2.163801|1.879605|2.942525|5.658018|4.362015|4.028831|4.114240|5.284084|6.808535|36.985705|8.693656|9.211460|0.140659|0.187406|5.795307|4.725143|4.166122|6.986355|5.489826|17.654534|3.243830|5.316970|3.864642|1.254239|0.033181|0.035510|0.037018|0.033206|0.036986|0.039208|0.041844|0.042383|0.039921|0.050202|0.064974|0.061564|0.048676|0.079720|0.115312|0.107853|0.115037|0.101068|0.101345|0.241183|0.142285|0.202759|0.141481|0.141135|0.122251|0.500000| 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|1.375851|1.392011|0.036496|1.366454|1.365223|0.035860|1.502861|2.083374|1.537949|11.432610|2.786212|2.716919|1.889601|2.052345|2.410958|2.586849|2.278187|1.968119|3.231839|6.566271|4.572464|4.152784|3.876691|4.691870|6.744555|44.481512|8.888732|7.544190|0.128585|0.150037|4.326176|3.903661|3.343924|4.446981|6.992867|17.603254|3.000248|4.864269|3.627287|1.325561|0.035670|0.038240|0.040283|0.035419|0.039869|0.041058|0.044641|0.045905|0.042648|0.053814|0.071793|0.064096|0.050452|0.081034|0.093928|0.095097|0.091460|0.081412|0.086844|0.141482|0.099494|0.124982|0.210771|0.172639|0.142233|0.303361|0.303075|0.500000| 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