Version2.1 2020-12-19T07:45:56Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 12-Dec-2020 #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(N=N1)C)CCC2=[NH+]C3=c4ccccc4=[NH+][C@H](N3N2)SCC(=O)N[C@@H]5C=C(N=N5)C C63708194 RHF 6-31G(d) (6D,7F) C[C@@H]1C(=C(N=N1)C)CCC2=[NH+]C3=c4ccccc4=[NH+][C@H](N3N2)SCC(=O)N[C@@H]5C=C(N=N5)C C01[X(C22H27N9O1S1)] 174 C1 553 O=C(N[C@H]1N=NC(=C1)C)CS[C@@H]1[NH+]=c2ccccc2=C2N1NC(=[NH+]2)CCC1=C(C)N=N[C@@H]1C O=C(N[C@H]1N=NC(=C1)C)CS[C@@H]1[NH+]=c2ccccc2=C2N1NC(=[NH+]2)CCC1=C(C)N=N[C@@H]1C C[C@H]1N=NC(=C1CCC2=[NH+]C3=C4C=CC=CC4=[NH+][C@@H](SCC(=O)N[C@@H]5C=C(C)N=N5)N3N2)C InChIKey=FZMJEMPSKUUHJU-OEVHLYDDSA-P InChI=1S/C22H25N9OS/c1-12-10-19(29-26-12)24-20(32)11-33-22-23-17-7-5-4-6-16(17)21-25-18(30-31(21)22)9-8-15-13(2)27-28-14(15)3/h4-7,10,13,19,22H,8-9,11H2,1-3H3,(H,24,32)(H,25,30)/p+2/t13-,19+,22-/m1/s1 InChI=1/C22H25N9OS/c1-12-10-19(29-26-12)24-20(32)11-33-22-23-17-7-5-4-6-16(17)21-25-18(30-31(21)22)9-8-15-13(2)27-28-14(15)3/h4-7,10,13,19,22H,8-9,11H2,1-3H3,(H,24,32)(H,25,30)/p+2/t13-,19+,22-/m1/s1/fC22H27N9OS/h23-25,30H/q+2 C[C@@H]1C(=C(N=N1)C)CCC2=[NH+]C3=c4ccccc4=[NH+][C@H](N3N2)SCC(=O)N[C@@H]5C=C(N=N5)C C01[X(C22H27N9O1S1)] 174 C01 553 O=C(N[C@H]1N=NC(=C1)C)CS[C@@H]1[NH+]=c2ccccc2=C2N1NC(=[NH+]2)CCC1=C(C)N=N[C@@H]1C CC1=C[C@H](N=N1)[NH][C]([O])CS[C@@H]1N[C]2[CH][CH][CH][CH][C]2[C]2[N@]1[NH][C](N2)CCC1=C(C)N=N[C@@H]1C C[C@H]1N=NC(=C1CC[C]2N[C]3[C]4[CH][CH][CH][CH][C]4N[C@@H](SC[C]([O])N[C@@H]5C=C(C)N=N5)N3N2)C InChIKey=YBESGEWQYVYVLC-OEVHLYDDSA-N InChI=1S/C22H27N9OS/c1-12-10-19(29-26-12)24-20(32)11-33-22-23-17-7-5-4-6-16(17)21-25-18(30-31(21)22)9-8-15-13(2)27-28-14(15)3/h4-7,10,13,19,22-23,25,30H,8-9,11H2,1-3H3,(H,24,32)/t13-,19+,22-/m1/s1 InChI=1/C22H27N9OS/c1-12-10-19(29-26-12)24-20(32)11-33-22-23-17-7-5-4-6-16(17)21-25-18(30-31(21)22)9-8-15-13(2)27-28-14(15)3/h4-7,10,13,19,22-23,25,30H,8-9,11H2,1-3H3,(H,24,32)/t13-,19+,22-/m1/s1/f/h24H 3449.4772779304 -1810.6008036 1-A 21085.3855 122 431 553 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.21243 -20.78410 -15.97527 -15.96511 -15.96339 -15.85660 -15.82913 -15.79245 -15.78825 -15.76639 -15.76484 -11.67468 -11.67287 -11.63323 -11.60776 -11.56595 -11.51973 -11.51850 -11.51209 -11.50695 -11.49528 -11.49192 -11.47482 -11.47371 -11.46788 -11.44030 -11.43463 -11.42593 -11.41536 -11.40705 -11.39154 -11.38806 -11.37186 -9.22272 -6.90543 -6.90355 -6.90163 -1.78784 -1.64804 -1.59698 -1.57439 -1.56288 -1.54862 -1.49013 -1.47726 -1.41804 -1.34620 -1.33689 -1.30591 -1.28548 -1.26851 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0.1364 0.5249 0.4188 0.0596 0.3461 0.7231 0.4458 0.7497 0.6801 0.2933 0.1805 0.6988 0.0548 0.6967 0.2803 0.3255 0.0728 0.0980 0.5062 0.1968 0.4356 0.4586 0.4935 0.1507 0.5211 0.3753 0.6791 0.7498 0.1890 0.5197 0.6710 0.4061 0.3915 0.5715 0.1363 0.1931 0.2559 0.4631 0.5846 0.2036 0.4881 0.5017 0.2603 0.5213 0.4906 0.3974 0.3475 0.7298 0.4571 0.1865 0.7152 0.5198 0.2866 0.3866 0.5095 0.6877 0.7148 0.2961 0.3259 0.3201 0.4035 0.1124 0.6779 0.2640 0.6441 0.5100 0.7395 0.6888 0.1546 0.6001 0.7132 0.4817 0.5791 0.4318 0.4772 0.2311 0.2762 0.5888 0.7278 0.2774 0.7366 0.6258 0.7465 0.7470 0.5637 0.6658 0.2478 0.5412 0.7420 0.4609 0.5696 0.5565 0.7492 0.3476 0.6367 0.1381 0.4297 0.7398 0.1298 0.0931 0.1458 0.4943 0.3381 0.4183 0.0526 0.0433 0.7440 0.2234 0.0405 0.0595 0.2346 0.4147 0.0774 0.7487 0.6697 0.7492 0.6585 0.2249 0.5081 0.7478 0.6345 0.6349 0.4069 0.5728 0.3932 0.1816 0.3050 0.2371 0.4251 0.1841 0.8570 0.8544 0.8563 0.8513 0.8184 0.8387 0.8475 0.8560 0.8570 0.8059 0.7582 0.7514 0.8493 0.8475 0.4911 0.8536 0.7636 0.6300 0.6573 0.6533 0.4245 0.4628 0.7925 0.5827 0.8177 0.7125 0.8368 0.8486 0.8538 0.8169 0.5766 0.4705 0.8145 0.4857 0.6115 0.4065 0.7396 0.4813 0.6545 0.8563 0.3771 0.4463 0.7608 0.1858 0.2401 0.6884 0.5904 0.1124 0.5142 0.8393 0.6167 0.8570 0.8096 0.4536 0.3059 0.8227 0.1039 0.8212 0.4379 0.4912 0.1358 0.1786 0.6721 0.3289 0.6069 0.6288 0.6608 0.2619 0.6851 0.5458 0.8089 0.8570 0.3178 0.6839 0.8031 0.5776 0.5627 0.7274 0.2400 0.3237 0.4075 0.6331 0.7378 0.3384 0.6560 0.6682 0.4131 0.6853 0.6582 0.5687 0.5157 0.8438 0.6274 0.3144 0.8340 0.6841 0.4455 0.5576 0.6750 0.8149 0.8337 0.4569 0.4916 0.4849 0.5750 0.2020 0.8080 0.4177 0.7835 0.6755 0.8503 0.8158 0.2678 0.7501 0.8326 0.6502 0.7334 0.6031 0.6461 0.3754 0.4328 0.7412 0.8425 0.4343 0.8483 0.7699 0.8549 0.8552 0.7210 0.7994 0.3971 0.7023 0.8519 0.6310 0.7258 0.7151 0.8566 0.5158 0.7780 0.2426 0.6011 0.8504 0.2298 0.1704 0.2544 0.6616 0.5054 0.5898 0.0999 0.0831 0.8532 0.3653 0.0779 0.1123 0.3800 0.5862 0.1436 0.8563 0.8022 0.8566 0.7941 0.3672 0.6738 0.8557 0.7764 0.7767 0.5784 0.7284 0.5644 0.3073 0.4674 0.3834 0.5966 0.3110 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 1 6 6 7 7 6 6 6 6 7 1 6 6 6 6 6 6 6 7 1 6 1 7 7 16 6 6 8 7 6 1 6 6 7 7 6 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 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 1.00783 14.00307 14.00307 31.97207 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 14.00307 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 17931.7829 21460.8163 37793.6806 0.99912 0.04182 0.00143 -0.04183 0.99912 0.00157 -0.00136 -0.00162 1.00000 1 0.00483 0.00404 0.00229 0.10064 0.08409 0.04775 11.69 20.68 22.52 39.02 45.07 64.35 79.76 96.16 108.62 122.38 143.79 153.78 172.56 188.28 200.22 215.30 229.40 238.21 257.61 299.52 325.93 349.87 355.71 397.44 408.10 416.00 428.19 454.91 470.11 477.29 498.36 531.74 546.56 566.07 593.45 646.77 656.09 676.90 682.46 771.90 810.45 833.72 864.23 877.74 899.23 924.79 958.48 968.03 979.97 997.88 1012.71 1032.63 1033.76 1040.79 1077.22 1082.60 1117.20 1129.09 1149.32 1178.85 1227.60 1235.31 1242.28 1257.76 1269.56 1284.03 1288.98 1353.91 1357.23 1401.42 1401.73 1417.63 1434.14 1438.98 1488.87 1507.93 1517.74 1535.70 1545.84 1573.54 1584.43 1603.47 1608.49 1627.53 1639.02 1667.61 1668.98 1673.09 1687.40 1710.24 1713.63 1729.28 1745.00 1764.66 1781.88 1794.83 1831.42 1851.38 1854.38 1866.75 1879.06 1913.30 1951.93 1964.87 1982.36 1996.00 1999.37 2021.22 2035.96 2051.12 2060.33 2063.23 2074.99 2089.37 2111.22 2131.69 2171.17 2176.40 2179.71 2224.17 2240.12 2260.96 2263.50 2271.12 2297.85 2308.94 2320.07 2322.60 2330.41 2331.30 2338.86 2347.37 2356.46 2362.01 2366.58 2378.38 2446.10 2500.40 2512.52 2568.05 2589.88 2610.68 2627.09 2643.82 2671.09 2730.31 2741.68 3738.53 4613.79 4622.50 4622.95 4629.76 4636.74 4636.93 4687.26 4698.18 4703.34 4706.19 4718.95 4728.05 4732.86 4748.94 4769.62 4773.78 4781.98 4795.69 4858.60 4878.27 4900.48 4923.25 4953.83 5494.50 5505.80 5549.55 0.524647 0.553612 0.554556 0.459317 -1810.076156 -1810.047192 -1810.046247 -1810.141487 3.194365D-04 MUNgauss RevisionA2.0 retrievium 19-Dec-2020 DUDE C[C@@H]1C(=C(N=N1)C)CCC2=[NH+]C3=c4ccccc4=[NH+][C@H](N3N2)SCC(=O)N[C@@H]5C=C(N=N5)C C63708194 RHF 6-31G(d) (6D,10F) C1 465.205929 |X|Y|Z| 96.346739 105.835265 24.521669 62.999797 29 6 7 16 19 9 1 |36.858105| |12.456272|36.858105| |8.869255|17.504965|0.500000| |7.328928|12.656527|0.246483|36.858105| |5.512138|8.425811|0.179571|14.372645|36.858105| |5.694442|8.595056|0.184194|8.449050|13.271655|53.358707| |7.792954|13.062883|0.258700|8.235778|8.696460|21.225115|53.358707| |3.901646|5.084035|0.121159|7.354465|12.764825|10.385686|7.306053|36.858105| |5.683497|7.127194|0.174782|12.688402|7.475021|6.956695|6.865744|5.786996|36.858105| |5.270981|5.411532|0.128053|7.554380|5.612675|5.726338|5.658478|4.820638|12.236500|36.858105| |3.937720|3.947679|0.100694|4.953807|4.012231|4.350668|4.323211|3.721099|7.548525|12.746796|36.858105| |3.135370|3.245668|0.084450|4.065850|3.539402|3.856093|3.733094|3.523663|5.748308|7.486270|14.065793|53.358707| |2.971899|3.164423|0.081880|4.067776|3.699031|3.958985|3.734434|3.880853|5.545025|6.703825|9.094040|25.899316|0.500000| |2.718830|2.745390|0.073045|3.244074|2.855065|3.245781|3.194853|2.822343|4.293986|5.206724|8.624681|19.132974|0.251518|36.858105| |2.263674|2.298214|0.061804|2.661024|2.419363|2.807268|2.747706|2.447456|3.332162|3.796262|5.281428|10.210090|0.181788|13.442235|36.858105| |2.071737|2.145214|0.057717|2.504848|2.343468|2.716444|2.617444|2.446936|3.059915|3.358759|4.296712|8.258518|0.173537|7.614505|13.488256|36.858105| |1.806323|1.860215|0.050330|2.126009|2.014907|2.383868|2.302520|2.107245|2.512161|2.713329|3.308046|5.781163|0.120792|5.118714|7.942583|13.984994|36.858105| |1.706960|1.730857|0.047008|1.939415|1.825099|2.190680|2.139786|1.876132|2.269521|2.466631|3.004989|4.982304|0.099355|4.583437|6.936898|7.978045|13.544758|36.858105| |1.802172|1.801389|0.048955|2.001215|1.854069|2.230782|2.202120|1.870962|2.362480|2.609883|3.263126|5.281771|0.100147|5.202917|7.899273|6.792320|7.816427|13.830651|36.858105| |2.071963|2.062402|0.055845|2.313969|2.104749|2.500911|2.478321|2.099596|2.810930|3.180717|4.224757|7.008701|0.124991|8.000439|13.496049|7.757325|6.780684|7.970759|13.695924|36.858105| |2.181907|2.122682|0.057571|2.335293|2.090372|2.508745|2.523301|2.037482|2.829087|3.249153|4.335133|6.501247|0.111215|7.106745|7.892386|5.131478|4.539740|5.183857|7.836515|13.726220|53.358707| |2.004972|1.940821|0.052931|2.101290|1.894039|2.303837|2.326557|1.843637|2.490299|2.806859|3.570183|5.201176|0.091951|5.181860|5.791204|4.251099|4.020131|4.827287|7.379935|9.378186|25.942336|0.500000| |2.519001|2.434308|0.066475|2.669327|2.322542|2.771455|2.822715|2.210586|3.325444|3.813632|5.306686|7.334251|0.118785|7.832898|6.727855|4.513160|3.799509|3.992919|5.199609|7.881449|18.075196|0.257595|36.858105| |2.459118|2.421542|0.067292|2.651695|2.302648|2.747779|2.802167|2.190375|3.318148|3.600004|4.850924|6.810802|0.113414|6.892299|6.256724|4.436058|3.764893|3.910932|4.918211|6.934909|12.300992|0.205469|17.523888|0.500000| |2.916266|2.842293|0.076012|3.241758|2.776208|3.217609|3.244734|2.642754|4.259778|5.271933|8.829275|12.179489|0.170851|14.487702|7.987899|5.158847|3.983022|3.866192|4.647460|7.033926|11.337050|0.165400|12.803681|0.255635|53.358707| |3.678295|3.507021|0.092132|4.033445|3.294037|3.766344|3.851152|3.014453|5.565470|7.649590|14.711627|12.157946|0.171039|8.722034|5.387285|4.070586|3.229432|3.071789|3.499626|4.697490|7.245739|0.119603|7.434337|0.175707|19.022264|53.358707| |2.550694|2.373205|0.065207|2.488698|2.154916|2.642443|2.748771|2.005123|2.972698|3.370976|4.234670|5.300993|0.090007|4.731048|4.144903|3.175463|2.819132|2.989485|3.712835|4.720432|9.450891|0.187199|10.617657|0.230884|9.273107|8.043822|388.023441| |2.566005|2.319106|0.062178|2.416465|2.119780|2.623184|2.723878|1.976691|2.805831|3.346256|4.048925|4.968331|0.085783|4.218227|3.686995|2.908250|2.606045|2.754049|3.354106|4.116879|7.744613|0.153675|6.596431|0.139858|7.760761|7.352285|74.195043|36.858105| |3.056755|2.644824|0.070034|2.694784|2.329480|2.908127|3.067421|2.121505|3.076180|3.746003|4.265427|4.870381|0.084680|3.816326|3.201834|2.612175|2.314778|2.369537|2.761800|3.333660|5.689192|0.109369|4.992805|0.114582|6.824499|7.621029|49.102888|12.499041|36.858105| |3.735256|3.168706|0.082606|3.257094|2.739062|3.367962|3.571376|2.447772|3.799888|4.863188|5.486031|5.752254|0.098039|4.283803|3.396640|2.768995|2.393799|2.388115|2.735789|3.361897|5.523961|0.101855|5.051188|0.117951|7.777843|10.158429|43.346971|7.990238|15.553601|73.516695| |2.847541|2.427435|0.064437|2.409118|2.117082|2.705053|2.872853|1.926813|2.646600|3.120331|3.361409|3.936099|0.070672|3.024578|2.633808|2.222241|2.010671|2.065915|2.368841|2.750638|4.533198|0.090118|3.770646|0.090780|5.067831|5.555848|35.882145|7.843911|14.457736|15.167131|53.358707| |3.143682|2.578427|0.068033|2.477381|2.179536|2.843296|3.068462|1.952015|2.629830|3.050023|3.097262|3.577588|0.065404|2.647725|2.301758|1.990073|1.801578|1.824130|2.044105|2.341754|3.708666|0.073197|3.076178|0.076767|4.283949|4.873606|27.290454|5.005087|7.824878|12.184531|17.827108|36.858105| |3.617805|2.884298|0.074495|2.768812|2.424471|3.157820|3.415076|2.151408|2.913588|3.468843|3.413948|3.853797|0.070570|2.778586|2.374497|2.060632|1.846830|1.846440|2.051195|2.365431|3.686162|0.071420|3.061447|0.076213|4.452772|5.251250|25.776855|4.646290|7.297410|13.463998|12.527918|17.621900|0.500000| |2.651384|2.215714|0.058700|2.118735|1.908949|2.530103|2.715489|1.731066|2.202650|2.499029|2.514387|2.999117|0.055899|2.222984|1.986102|1.750089|1.610136|1.638425|1.818798|2.034375|3.166573|0.063536|2.536835|0.064165|3.483868|3.829376|21.868008|3.893220|5.130145|8.024910|10.443091|12.749413|0.244964|36.858105| |2.589587|2.162668|0.058095|2.028837|1.828460|2.453768|2.661002|1.647811|2.085076|2.299100|2.290595|2.741301|0.051371|2.025996|1.820078|1.616189|1.492451|1.516503|1.673931|1.860087|2.873687|0.057934|2.318818|0.059894|3.154284|3.464295|20.004654|3.327519|4.193814|6.799504|7.731149|8.466439|0.178823|14.423788|36.858105| |2.933424|2.414571|0.065676|2.231175|1.974414|2.645112|2.909118|1.753365|2.304634|2.506543|2.492007|2.934059|0.054540|2.163130|1.919302|1.692808|1.550794|1.569405|1.736857|1.950750|3.030972|0.060741|2.515992|0.065724|3.415945|3.820995|22.158881|3.517005|4.543923|7.599822|7.937408|8.622306|0.183493|8.431347|13.131997|53.358707| |3.322657|2.696782|0.072814|2.516905|2.187329|2.883344|3.170757|1.929814|2.652202|2.946908|2.957528|3.401658|0.062294|2.508674|2.182302|1.895930|1.716850|1.733220|1.933862|2.210464|3.482894|0.068987|2.960604|0.076304|4.059713|4.656030|26.710927|4.330478|6.153904|10.398499|10.850943|12.935819|0.255671|8.179746|8.630397|21.284797|53.358707| |2.245722|1.910957|0.051684|1.786202|1.633516|2.217281|2.397514|1.482995|1.813153|1.963119|1.945938|2.369286|0.044922|1.749420|1.595401|1.435881|1.338894|1.361698|1.489886|1.631418|2.485204|0.050454|1.975097|0.051661|2.673308|2.891520|16.645021|2.678912|3.174049|5.234530|5.429445|5.104975|0.120918|7.389694|12.790189|10.295669|7.271545|36.858105| |17.561310|8.788151|0.173224|6.692378|5.479432|7.664365|9.518778|4.003420|5.284059|5.461663|3.976338|4.314636|0.084054|2.726472|2.270285|2.082743|1.816503|1.714936|1.807772|2.075387|2.967364|0.055548|2.479507|0.066119|3.950543|4.973515|17.761566|2.594536|3.121185|6.807506|3.981267|3.257762|0.107355|2.762347|2.643888|3.967551|4.494545|2.284295|0.500000| |17.609764|8.857883|0.214860|5.442426|4.517544|6.867097|9.724945|3.354277|4.371060|4.061639|3.243120|3.636533|0.070708|2.375779|2.020363|1.860163|1.643785|1.564863|1.650407|1.875293|2.693937|0.051119|2.264619|0.061738|3.470433|4.237845|16.605859|2.351335|2.789600|5.861837|3.638924|3.014121|0.094764|2.605414|2.606781|4.041235|4.446680|2.296862|0.301598|0.500000| |17.539442|8.777902|0.211925|6.490059|4.702072|6.139026|7.643549|3.516659|5.971992|5.745606|4.443997|4.640051|0.087168|2.993203|2.450605|2.198084|1.905554|1.812592|1.937549|2.256071|3.288696|0.061470|2.859889|0.077437|4.511917|5.890535|20.974680|2.933993|3.573705|8.020575|4.446177|3.592700|0.114753|2.917737|2.844286|4.515432|5.295575|2.411995|0.299023|0.302175|0.500000| |3.423760|4.468504|0.112552|5.824463|8.974056|9.413960|6.706965|17.573704|4.723207|3.880647|3.166118|4.163989|0.093172|2.524657|2.237820|2.263938|1.978135|1.763735|1.746967|1.936953|2.549142|0.047441|2.021379|0.056219|3.220173|3.599198|13.094475|1.798801|1.913887|3.869990|2.385006|1.775625|0.053782|1.589660|1.525581|2.209485|2.409389|1.385291|0.095211|0.084592|0.086092|0.500000| |3.651423|4.443374|0.104495|5.830521|8.955255|9.315639|6.650542|17.562342|4.736878|4.381176|3.427492|4.438387|0.099662|2.647034|2.318583|2.324293|2.021881|1.808471|1.800925|2.006844|2.653812|0.049198|2.088460|0.056829|3.381726|3.828828|13.572450|1.918095|2.065301|4.209219|2.575736|1.926514|0.059295|1.723768|1.632886|2.338340|2.561546|1.474079|0.108518|0.088416|0.090639|0.303131|0.500000| |3.609255|4.521887|0.110831|6.766871|8.858121|7.570245|5.976752|17.565261|6.386470|5.376826|4.255433|5.697529|0.133754|3.238546|2.789517|2.822175|2.385291|2.087002|2.067329|2.335924|3.039491|0.055567|2.416360|0.066581|4.006154|4.525849|15.193123|2.088767|2.211165|4.542794|2.695486|1.973806|0.060182|1.739317|1.645356|2.382522|2.640086|1.473935|0.102340|0.085544|0.094164|0.300918|0.300149|0.500000| |5.676560|6.781134|0.187683|8.929409|5.686207|5.982785|6.286515|4.489187|17.556463|8.787345|6.983784|7.184386|0.134210|4.245634|3.302197|2.968188|2.457274|2.254300|2.378090|2.844671|3.975812|0.071767|3.551269|0.100885|6.022985|7.962411|22.991660|2.937716|3.222297|7.081845|3.751585|2.729782|0.082731|2.262715|2.165510|3.323504|3.851174|1.876064|0.136818|0.124308|0.180417|0.108767|0.105054|0.133394|0.500000| |4.354885|5.461439|0.141553|8.927457|6.904329|6.322495|5.900886|6.268280|17.560653|8.768529|6.879728|8.354346|0.177944|4.456348|3.529994|3.350912|2.714931|2.395921|2.447531|2.892625|3.837790|0.068692|3.244698|0.091415|5.635651|6.804873|19.891257|2.603604|2.759162|5.866571|3.242717|2.333168|0.070730|1.986790|1.882119|2.801140|3.183186|1.654447|0.114894|0.098824|0.124166|0.144882|0.136248|0.215569|0.303227|0.500000| |4.631460|4.837552|0.112391|6.834860|5.863191|5.862406|5.496656|5.470528|8.722682|17.586501|9.049521|9.432074|0.193828|4.774177|3.639813|3.343177|2.714386|2.436150|2.530915|3.025078|4.101561|0.072745|3.371183|0.087739|6.185639|7.987977|21.075160|3.029704|3.339817|7.397000|3.879951|2.799187|0.088714|2.351737|2.151031|3.123323|3.607513|1.856968|0.141012|0.102069|0.130865|0.117099|0.144432|0.173934|0.172665|0.210892|0.500000| |6.440853|5.750082|0.132577|6.903387|5.103220|5.639231|5.863205|4.186982|8.709855|17.615789|9.098439|7.733903|0.139300|4.465125|3.361447|2.941020|2.441640|2.273908|2.438196|2.946723|4.236407|0.075885|3.682900|0.095104|6.623386|9.897591|24.687192|3.575541|4.261818|10.398828|4.850184|3.582266|0.117213|2.858569|2.612226|3.910519|4.689601|2.192578|0.193463|0.132521|0.206026|0.095754|0.109315|0.121757|0.208937|0.172361|0.302231|0.500000| |2.153871|2.271859|0.060871|2.710763|2.567261|2.929181|2.784665|2.742817|3.325909|3.586685|4.457400|8.868849|0.210539|6.878671|8.795785|17.714969|9.007633|5.656180|4.909820|5.554612|5.664921|0.097635|3.918642|0.108288|6.371484|5.398439|20.466004|2.664246|2.470407|4.741563|2.881146|1.928431|0.056001|1.697272|1.573107|2.246993|2.511854|1.400907|0.060197|0.053428|0.062827|0.070404|0.071889|0.089932|0.087607|0.104573|0.101192|0.084988|0.500000| |1.696293|1.760761|0.047682|2.010948|1.934429|2.298471|2.205217|2.051313|2.336145|2.480774|2.921762|4.992424|0.107774|4.128812|5.635717|8.980235|17.761838|8.843815|5.604401|4.907800|4.921382|0.091350|3.143684|0.087364|4.505797|3.815023|17.331773|2.278107|2.060446|3.794227|2.471101|1.647531|0.046997|1.485634|1.383581|1.951281|2.144214|1.250196|0.047418|0.043073|0.049235|0.054009|0.054856|0.064446|0.063042|0.070696|0.069780|0.062050|0.216265|0.500000| |1.557115|1.578004|0.042963|1.751702|1.661878|2.014863|1.968324|1.712033|2.015601|2.167690|2.570417|4.138330|0.083414|3.642466|4.986237|5.680019|8.883989|17.731871|9.003893|5.672175|5.708902|0.113970|3.334023|0.091435|4.341817|3.570876|18.721771|2.454081|2.127080|3.778142|2.567711|1.676736|0.046947|1.524044|1.416627|1.985231|2.172890|1.282389|0.043463|0.039944|0.045690|0.045042|0.046051|0.052460|0.055649|0.058926|0.059742|0.056033|0.124599|0.214680|0.500000| |1.692259|1.677273|0.045723|1.836238|1.702949|2.073002|2.058224|1.707002|2.136563|2.348974|2.872712|4.456121|0.084384|4.214811|5.616725|4.911590|5.590385|8.931402|17.735106|8.890895|9.677798|0.219596|4.750620|0.124653|5.484204|4.263771|26.051857|3.335908|2.696296|4.633914|3.195693|2.012325|0.055430|1.808312|1.666941|2.342145|2.590701|1.490060|0.047124|0.043392|0.050571|0.044452|0.045816|0.051809|0.060143|0.060789|0.063112|0.062015|0.106818|0.123638|0.216990|0.500000| |3.896085|3.504878|0.091798|3.817311|3.114320|3.673031|3.838249|2.790300|4.898925|6.597820|8.985447|8.257335|0.129983|6.066141|4.314061|3.379593|2.801243|2.731806|3.131840|4.044589|6.545518|0.113452|6.603700|0.153286|12.415747|24.306977|46.510130|6.545929|7.759807|22.347311|7.070420|4.467798|0.134908|3.327420|2.967983|4.521755|5.741355|2.411137|0.108092|0.092270|0.131625|0.068298|0.073306|0.083095|0.145451|0.117658|0.143960|0.204419|0.090890|0.068407|0.066072|0.080292|0.500000| |2.286814|2.072034|0.055882|2.134099|1.897639|2.378390|2.470327|1.779183|2.425415|2.816893|3.294455|4.148462|0.073588|3.487103|3.197496|2.598831|2.393266|2.572865|3.122532|3.648382|6.667190|0.142582|5.226530|0.118200|5.996675|5.637826|56.971884|17.636907|8.742280|10.339366|10.174955|4.767271|0.117287|3.953316|3.390685|4.749308|5.624547|2.763695|0.064181|0.059175|0.071647|0.045364|0.048174|0.051896|0.070385|0.063069|0.072057|0.083219|0.066043|0.058666|0.064877|0.089017|0.133316|0.500000| |2.486369|2.277407|0.060440|2.421824|2.147272|2.631898|2.697037|2.032872|2.829821|3.461707|4.300982|5.461952|0.093997|4.756460|4.190132|3.245731|2.892911|3.068292|3.785708|4.736553|8.980517|0.170696|6.812134|0.137691|8.554772|7.607651|55.947482|17.591721|8.916734|12.442248|8.394639|4.316133|0.117129|3.489525|2.959151|4.149221|4.980123|2.431795|0.070814|0.062759|0.077684|0.051141|0.055123|0.060209|0.080416|0.073862|0.089041|0.100653|0.081556|0.069475|0.075078|0.103351|0.175880|0.302800|0.500000| |2.485946|2.160106|0.057838|2.147295|1.910041|2.451337|2.590010|1.757104|2.348699|2.714735|2.945722|3.557196|0.064473|2.779867|2.490010|2.113856|1.941926|2.022710|2.330318|2.657677|4.401194|0.090050|3.551405|0.086137|4.583326|4.804402|34.373914|7.457191|9.501511|10.873171|26.004354|9.064452|0.181290|7.280514|5.560666|7.343358|8.914816|4.056531|0.070524|0.065579|0.077977|0.044742|0.047996|0.050206|0.067930|0.059636|0.069709|0.083965|0.055515|0.048779|0.051727|0.065207|0.118919|0.236545|0.162032|0.500000| |2.424403|2.056960|0.054194|1.990134|1.816545|2.406456|2.554462|1.667213|2.063947|2.355872|2.375802|2.877230|0.054029|2.135531|1.928675|1.710843|1.583927|1.615532|1.787288|1.981010|3.058772|0.061567|2.394801|0.060270|3.298705|3.569358|20.133095|3.642986|4.558156|7.130107|8.729308|8.322919|0.194075|17.787080|8.836451|7.838855|7.695368|6.325175|0.071056|0.065908|0.072802|0.042546|0.046474|0.046588|0.058169|0.052191|0.062634|0.073982|0.046040|0.040698|0.041908|0.049505|0.084536|0.104244|0.093895|0.178431|0.500000| |2.316165|1.958082|0.053008|1.805309|1.656177|2.273758|2.475839|1.495185|1.807264|1.936658|1.890789|2.296143|0.043759|1.678160|1.526725|1.382606|1.286999|1.300596|1.413372|1.546936|2.334370|0.047121|1.860931|0.049027|2.545187|2.775776|15.421837|2.432070|2.882320|4.902391|4.746010|4.486572|0.112459|5.864296|8.977511|9.246513|6.640174|17.567170|0.065329|0.066907|0.068384|0.038886|0.041322|0.040992|0.051889|0.045684|0.050967|0.060209|0.037696|0.033506|0.034035|0.039082|0.063879|0.068530|0.061895|0.095660|0.142108|0.500000| |2.094638|1.806652|0.049353|1.693009|1.547337|2.095491|2.262841|1.408918|1.728311|1.853172|1.854696|2.273979|0.043090|1.692520|1.554072|1.398780|1.310007|1.338540|1.467299|1.599741|2.442946|0.049983|1.941205|0.051143|2.588717|2.770325|16.517825|2.603274|3.002330|4.901781|5.051083|4.451863|0.104357|5.832704|8.976057|9.329757|6.655819|17.566206|0.058453|0.059512|0.062728|0.036727|0.038724|0.039005|0.050017|0.044049|0.048511|0.056930|0.037793|0.033979|0.035109|0.040966|0.063772|0.075610|0.065086|0.107714|0.140554|0.302580|0.500000| |2.077461|1.785558|0.048032|1.685507|1.555252|2.108897|2.260235|1.424642|1.710203|1.862465|1.850620|2.273950|0.043307|1.681443|1.544313|1.395986|1.307910|1.332895|1.454999|1.582959|2.400337|0.048856|1.880644|0.048969|2.548905|2.731630|15.645688|2.554482|2.972308|4.872924|5.057898|4.565080|0.110941|6.852928|8.933295|7.552663|5.976794|17.615162|0.059324|0.058647|0.061338|0.036976|0.039557|0.039373|0.048723|0.043611|0.049448|0.057417|0.037797|0.033991|0.034982|0.040524|0.062750|0.073832|0.065435|0.106761|0.188346|0.300246|0.299918|0.500000| 1808.730291 -11088.872380 4236.482280 -216.418596 -5260.078405 3449.477526 -1810.600878 2.001034 40F8354000000001 44E6B86A30CEC7D0 4467A4DABC285B62 4251F2813CF38002 C088000000000000 44C1D4D03BEAF373