Version2.1 2021-01-07T09:03:59Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+]1CCc2c(sc3c2C(=N[C@@H](N3)c4ccc(cc4)OC(=O)c5ccc(cc5Cl)Cl)O)C1 C15947273 RHF 6-31G(d) (6D,7F) CC[NH+]1CCc2c(sc3c2C(=N[C@@H](N3)c4ccc(cc4)OC(=O)c5ccc(cc5Cl)Cl)O)C1 C01[X(C24H22Cl2N3O3S1)] 159 C1 551 CC[NH+]1CCc2c(C1)sc1c2C(=N[C@@H](N1)c1ccc(cc1)OC(=O)c1ccc(cc1Cl)Cl)O CC[NH+]1CCc2c(C1)sc1c2C(=N[C@@H](N1)c1ccc(cc1)OC(=O)c1ccc(cc1Cl)Cl)O CC[NH+]1CCc2c(C1)sc3N[C@H](N=C(O)c23)c4ccc(OC(=O)c5ccc(Cl)cc5Cl)cc4 InChIKey=PCJZLEHPKDVDPF-NRFANRHFSA-O InChI=1S/C24H21Cl2N3O3S/c1-2-29-10-9-17-19(12-29)33-23-20(17)22(30)27-21(28-23)13-3-6-15(7-4-13)32-24(31)16-8-5-14(25)11-18(16)26/h3-8,11,21,28H,2,9-10,12H2,1H3,(H,27,30)/p+1/t21-/m0/s1 InChI=1/C24H21Cl2N3O3S/c1-2-29-10-9-17-19(12-29)33-23-20(17)22(30)27-21(28-23)13-3-6-15(7-4-13)32-24(31)16-8-5-14(25)11-18(16)26/h3-8,11,21,28H,2,9-10,12H2,1H3,(H,27,30)/p+1/t21-/m0/s1/fC24H22Cl2N3O3S/h29-30H/q+1 CC[NH+]1CCc2c(sc3c2C(=N[C@@H](N3)c4ccc(cc4)OC(=O)c5ccc(cc5Cl)Cl)O)C1 C01[X(C24H22Cl2N3O3S1)] 159 C01 551 CC[NH+]1CCc2c(C1)sc1c2C(=N[C@@H](N1)c1ccc(cc1)OC(=O)c1ccc(cc1Cl)Cl)O CC[NH]1CC[C]2=C(C1)S[C]1[C]2C(=N[C@@H](N1)[C]1[CH][CH][C]([CH][CH]1)OC(=O)[C]1[CH][CH][C]([CH][C]1Cl)Cl)O CC[NH]1CCC2=C(C1)S[C]3N[C@H](N=C(O)[C]23)[C]4[CH][CH][C]([CH][CH]4)OC(=O)[C]5[CH][CH][C](Cl)[CH][C]5Cl InChIKey=YKVGUZGDCNMNHE-NRFANRHFSA-N InChI=1S/C24H22Cl2N3O3S/c1-2-29-10-9-17-19(12-29)33-23-20(17)22(30)27-21(28-23)13-3-6-15(7-4-13)32-24(31)16-8-5-14(25)11-18(16)26/h3-8,11,21,28-29H,2,9-10,12H2,1H3,(H,27,30)/t21-/m0/s1 InChI=1/C24H22Cl2N3O3S/c1-2-29-10-9-17-19(12-29)33-23-20(17)22(30)27-21(28-23)13-3-6-15(7-4-13)32-24(31)16-8-5-14(25)11-18(16)26/h3-8,11,21,28-29H,2,9-10,12H2,1H3,(H,27,30)/t21-/m0/s1/f/h30H 3508.3260999058 -2625.8581779 1-A 38233.7570 130 421 551 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.88148 -104.87679 -92.09773 -20.69849 -20.68077 -20.61486 -15.85436 -15.69622 -15.62972 -11.45283 -11.45193 -11.44696 -11.44402 -11.44309 -11.44167 -11.40089 -11.38929 -11.38772 -11.38196 -11.37738 -11.37664 -11.37092 -11.36935 -11.33642 -11.32422 -11.31715 -11.31431 -11.31288 -11.31005 -11.30931 -11.30637 -11.30481 -11.30408 -10.61493 -10.61019 -9.10766 -8.08433 -8.08086 -8.08084 -8.07963 -8.07613 -8.07597 -6.79026 -6.78929 -6.78730 -1.54736 -1.53292 -1.49768 -1.44241 -1.40539 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8.3162 2.0591 1.6474 2.2157 2.7553 1.2373 1.7202 1.2594 2.8804 3.4542 2.2535 1.5000 4.9055 1.4781 1.6253 1.2473 1.4177 1.4136 1.4523 1.5215 1.2399 1.8227 1.3555 2.8131 2.1442 1.4457 1.3339 1.3557 1.9440 1.3629 2.7605 1.1003 1.0761 1.0635 1.2376 1.1320 2.5124 2.6827 1.0975 2.3128 2.6727 7.2119 7.5478 5.7745 6.4856 5.6753 9.2534 13.0586 1.0857 1.0399 1.0728 1.0609 1.0624 1.0666 1.1014 1.1072 1.0928 1.1035 1.1104 1.1070 1.0910 1.0899 1.0956 1.0967 1.0923 1.0943 1.0948 1.0781 1.0797 1.0651 0.0002 0.0004 0.0009 0.0024 0.0022 0.0062 0.0068 0.0120 0.0099 0.0260 0.0348 0.0322 0.0505 0.0772 0.0716 0.1229 0.0987 0.0978 0.2334 0.0935 0.0689 0.2922 0.3078 0.1841 0.2239 0.2806 0.2314 0.3175 0.0970 0.7320 0.6313 0.4638 0.3217 1.2316 0.4517 0.5672 0.7171 0.5774 0.6090 0.7975 0.5448 1.0079 0.9747 0.3159 1.1029 0.6300 1.2264 1.2613 1.3715 0.9795 1.2414 2.0466 1.4969 2.2730 1.4559 2.4447 1.6811 2.9281 0.7562 2.7312 1.9638 0.9763 1.4562 0.8327 1.5589 2.0547 0.7124 0.8535 1.6592 1.9305 0.8600 1.7141 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4.4922 15.1920 7.4803 13.4812 19.5321 3.9617 42.1674 32.8473 0.6121 34.2769 7.4313 41.3024 6.1460 0.4119 15.5886 36.8689 66.5651 18.6302 12.2141 27.9017 54.9200 5.5558 2.9665 12.2392 50.8590 17.1382 0.3793 5.2918 2.4339 125.7916 24.6651 97.1739 8.5935 42.1610 30.0632 216.3735 14.7085 18.3135 0.7561 18.4193 34.8163 22.3619 16.9158 6.8519 49.3732 302.9705 28.6105 3.9505 1116.5286 100.8412 101.9905 9.9968 11.4608 85.8210 14.6858 12.5360 3.7841 68.1339 8.5130 24.6597 21.2881 12.0010 56.4913 95.7083 19.0030 75.6913 29.8241 5.1843 0.7921 15.3858 87.6820 0.1493 49.4418 182.7150 22.3537 336.5344 89.9872 60.3039 222.4251 150.5232 8.0350 40.9388 972.0327 340.4361 60.5521 7.6911 9.8352 21.5622 5.2208 4.1836 13.2097 0.6650 2.2402 5.4190 10.6345 8.3205 14.9121 10.9602 7.6544 4.2016 0.7234 0.4897 1.0155 38.9931 100.1374 153.8473 3.2489 0.4399 1.1591 3.1186 6.1852 0.2995 1.2455 1.7101 0.5136 1.4085 0.6055 0.9833 1.0418 0.7897 0.8348 1.7537 0.6906 1.1389 2.2979 0.1222 0.2787 0.5547 0.9358 1.0899 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0.5237 0.4237 0.4721 0.8423 0.6916 0.8571 0.3753 0.4636 0.6677 0.6829 0.6577 0.2437 0.4179 0.3511 0.0481 0.3277 0.2483 0.3127 0.2000 0.6006 0.7677 0.3710 0.7763 0.8526 0.6723 0.5853 0.8563 0.3974 0.2319 0.6535 0.4659 0.2954 0.3868 0.3533 0.4469 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 6 6 7 1 6 6 6 6 16 6 6 6 7 6 1 7 6 6 6 6 6 6 8 6 8 6 6 6 6 6 6 17 17 8 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 12.00000 14.00307 12.00000 1.00783 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 34.96885 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 4446.3691 68493.4437 71091.4995 0.99999 -0.00425 -0.00283 0.00426 0.99999 0.00121 0.00283 -0.00122 1.00000 1 0.01948 0.00126 0.00122 0.40589 0.02635 0.02539 8.68 13.68 22.55 33.17 39.30 48.78 74.15 78.84 112.71 136.25 143.07 166.83 192.68 224.50 232.92 269.44 277.00 286.33 324.04 340.56 361.22 370.48 402.46 411.59 438.09 446.77 464.00 479.27 525.14 527.64 573.26 589.55 604.79 633.46 664.08 674.28 681.78 714.15 726.25 742.52 790.63 807.71 834.55 852.33 857.70 873.90 903.94 913.06 944.11 965.16 991.81 1000.07 1028.20 1061.96 1095.88 1147.63 1163.09 1187.20 1203.23 1235.59 1246.29 1271.08 1288.82 1303.35 1322.43 1346.40 1353.57 1372.67 1407.13 1446.38 1454.73 1486.81 1492.71 1512.87 1533.23 1558.41 1566.88 1577.41 1584.40 1596.60 1606.56 1610.69 1652.12 1654.56 1693.91 1714.14 1735.10 1748.20 1762.13 1774.43 1782.69 1829.47 1850.68 1853.62 1859.24 1865.06 1885.75 1904.26 1965.98 1972.34 1979.19 2014.91 2026.66 2028.40 2034.16 2065.08 2079.59 2091.23 2124.53 2149.28 2190.88 2202.98 2207.32 2233.58 2246.88 2269.75 2279.07 2283.38 2296.54 2305.76 2338.55 2348.94 2356.11 2368.05 2372.33 2376.99 2377.94 2397.08 2407.73 2439.91 2512.08 2571.07 2575.86 2577.59 2621.30 2753.66 2924.98 4580.68 4638.91 4640.15 4665.29 4711.92 4724.14 4739.95 4742.64 4758.50 4765.04 4799.60 4828.23 4837.96 4872.17 4888.62 4896.17 4904.83 4927.39 4937.90 5301.46 5565.35 5809.43 0.461282 0.489184 0.490128 0.395847 -2625.396896 -2625.368994 -2625.368050 -2625.462331 3.162200D-04 MUNgauss RevisionA2.0 retrievium 07-Jan-2021 DUDE CC[NH+]1CCc2c(sc3c2C(=N[C@@H](N3)c4ccc(cc4)OC(=O)c5ccc(cc5Cl)Cl)O)C1 C15947273 RHF 6-31G(d) (6D,10F) C1 502.075894 |X|Y|Z| 26.124444 44.763264 188.538564 60.411970 27 6 7 8 16 22 3 1 1 |36.858105| |12.522017|36.858105| |7.557446|12.647055|53.358707| |7.368442|9.284828|25.685460|0.500000| |5.986590|7.572067|17.210672|0.258440|36.858105| |4.307317|4.954299|10.389811|0.204644|12.505754|36.858105| |3.665810|4.428459|9.211753|0.183432|7.635504|12.655392|36.858105| |3.855005|5.026102|10.638843|0.200196|6.862969|7.669873|14.179743|36.858105| |2.920342|3.588676|6.345308|0.126490|4.211549|4.719996|7.360611|10.844585|388.023441| |2.620133|3.054764|5.390858|0.110532|3.981904|5.048303|8.178210|7.704027|78.078808|36.858105| |2.891342|3.331325|6.136358|0.126580|4.921092|7.266269|13.270343|8.236248|52.387355|13.921412|36.858105| |2.502313|2.765950|4.802114|0.099531|4.006312|5.751126|7.203611|5.104031|34.436090|8.015152|13.085434|36.858105| |2.162434|2.364490|3.953248|0.082199|3.178099|4.176875|5.054545|4.061018|30.255856|6.924783|7.937561|15.170990|53.358707| |2.051004|2.260593|3.736241|0.078072|2.859573|3.572232|4.515798|3.975350|33.342683|7.877467|6.813332|8.159997|17.971375|36.858105| |2.038210|2.216551|3.645977|0.077846|2.739431|3.399701|4.197724|3.743256|30.926100|6.645101|5.952398|6.737406|12.607101|17.511848|0.500000| |2.217251|2.517373|4.221516|0.086986|3.138342|3.840066|5.300748|5.019386|49.522568|14.277874|8.055721|7.076327|10.740082|12.888495|0.253090|53.358707| |1.775582|1.943352|3.112021|0.064271|2.376860|2.839772|3.407463|3.126854|26.266406|5.223076|4.563903|5.325647|10.554640|12.582467|0.249120|10.680752|36.858105| |1.626637|1.761536|2.773173|0.057765|2.080682|2.428740|2.848110|2.683342|22.551955|4.109683|3.604806|4.005336|7.176120|7.586578|0.205769|7.735808|13.760537|36.858105| |1.463581|1.578338|2.442283|0.050507|1.833052|2.094024|2.399975|2.291084|18.974263|3.260215|2.915349|3.198218|5.428421|5.021390|0.133786|5.731883|7.905142|13.730244|36.858105| |1.423218|1.539638|2.370920|0.048487|1.798659|2.041111|2.319365|2.210663|18.085822|3.075655|2.788182|3.080442|5.151923|4.455387|0.111782|5.276958|6.895419|8.000566|13.841668|36.858105| 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|0.977020|1.036664|1.525041|0.031017|1.143133|1.230213|1.327472|1.302642|10.165483|1.551172|1.462968|1.537941|2.304887|1.808125|0.048464|2.355772|2.110385|2.272651|2.717898|3.039248|2.688604|2.257093|6.914660|4.459316|6.671062|6.853760|8.020611|13.783240|36.858105| |1.006208|1.073544|1.579305|0.032016|1.180328|1.266525|1.375396|1.358822|10.698503|1.621058|1.514719|1.578439|2.358609|1.865014|0.049613|2.467403|2.181251|2.331403|2.783577|3.154711|2.817534|2.352863|7.146365|5.008019|7.777538|7.885137|6.909689|7.917333|13.792606|36.858105| |1.084307|1.163409|1.722528|0.034891|1.287032|1.388388|1.523170|1.506034|12.008448|1.832807|1.693798|1.764895|2.661067|2.134030|0.056263|2.830887|2.551007|2.739666|3.357824|3.933681|3.439567|2.785563|9.318925|7.499891|11.333145|13.642228|7.963740|6.852105|7.967135|13.759432|36.858105| |1.113724|1.203921|1.777573|0.035808|1.320805|1.413313|1.560852|1.563211|12.599043|1.886635|1.723038|1.763616|2.625447|2.116792|0.055336|2.896562|2.488775|2.609801|3.076392|3.556056|3.273577|2.728400|7.612715|6.013354|11.423980|6.904570|4.733715|4.223019|4.821341|7.183513|10.987932|448.794386| |0.897692|0.947717|1.384610|0.028167|1.037083|1.108730|1.185707|1.164923|8.996133|1.359758|1.292989|1.354446|2.007145|1.556940|0.041999|2.036071|1.776412|1.894148|2.195462|2.392425|2.172780|1.880730|5.141426|3.172262|4.989423|4.221319|4.792000|7.054608|10.990281|7.077218|4.784313|28.724899|448.794386| |2.573256|2.782122|4.771941|0.098185|4.255412|6.306310|6.362199|4.445030|27.559975|5.357273|8.084227|14.282725|11.538951|5.332850|0.132336|6.465333|4.078356|3.251511|2.724402|2.676732|3.078879|3.899452|4.031942|2.045413|3.685407|1.789675|1.732472|1.548810|1.442401|1.471294|1.626413|12.985767|10.299086|73.516695| |4.987170|7.660462|17.276906|0.260267|7.722874|6.350400|7.535221|12.737789|47.648042|4.833204|5.070284|3.715766|4.213914|3.031849|0.080948|4.944507|2.514673|2.225060|1.950403|1.893557|2.057706|2.385245|2.981458|1.622656|3.058680|1.441307|1.359134|1.238190|1.191661|1.242964|1.365640|11.427421|8.633024|6.175490|36.858105| |17.556493|8.787644|9.328367|0.217513|5.284050|4.167017|3.624186|3.794227|20.808967|2.640477|2.902950|2.512997|2.970745|2.084715|0.058337|3.050786|1.794363|1.655483|1.483003|1.430057|1.514110|1.697606|2.306473|1.249664|2.306226|1.138909|1.097067|1.016521|0.977554|1.004800|1.082640|8.897350|7.209249|4.551525|4.725118|0.500000| |17.603079|8.721770|9.100070|0.179245|6.416024|4.556237|3.645581|3.642772|19.578006|2.556975|2.887409|2.553758|2.983891|2.042363|0.056170|2.960431|1.769948|1.614084|1.453844|1.419308|1.519462|1.703569|2.293801|1.239136|2.277040|1.131908|1.091430|1.012441|0.973912|1.000453|1.076644|8.842457|7.189550|4.794028|4.437948|0.300097|0.500000| |17.590589|8.955396|7.544515|0.147732|4.607134|3.490908|3.074517|3.265821|18.427132|2.316612|2.505761|2.199913|2.630786|1.848458|0.051010|2.715244|1.623562|1.498424|1.359899|1.326045|1.408211|1.562434|2.156810|1.175945|2.171612|1.077783|1.036016|0.964100|0.932176|0.960465|1.031672|8.524278|6.900869|4.006834|4.160852|0.302697|0.303158|0.500000| |8.860146|17.628594|12.418331|0.214763|5.608382|4.158614|4.016940|4.812954|25.924329|2.979853|3.127692|2.582900|3.058785|2.196130|0.060130|3.369749|1.899865|1.737811|1.560853|1.517033|1.618164|1.816219|2.442765|1.338305|2.501576|1.212249|1.153177|1.064806|1.030480|1.069764|1.159645|9.675216|7.564776|4.512292|7.557998|0.210835|0.172489|0.216578|0.500000| |8.768886|17.624058|12.403044|0.182162|7.259543|4.648264|4.136827|4.627296|24.068198|2.906888|3.161900|2.664648|3.111144|2.172346|0.058415|3.292220|1.890492|1.705919|1.539916|1.516817|1.639340|1.842050|2.446120|1.335032|2.482948|1.211745|1.153900|1.066318|1.031960|1.070616|1.159425|9.664627|7.580602|4.812893|6.746892|0.172142|0.209287|0.211128|0.301983|0.500000| |5.138712|6.820845|12.458427|0.182480|17.618196|8.784524|6.656468|6.381729|29.326671|3.832668|4.572497|3.778314|4.147816|2.754106|0.071936|4.164264|2.334238|2.032828|1.808416|1.796351|1.990705|2.299031|2.850981|1.533907|2.841407|1.376612|1.310139|1.199631|1.152257|1.194218|1.303159|10.802933|8.390227|7.097332|7.321797|0.121983|0.150865|0.117630|0.146069|0.213245|0.500000| |6.878562|7.250248|12.312777|0.216414|17.666869|8.806344|5.559897|5.001890|24.355418|3.312108|4.021826|3.491134|3.864158|2.544581|0.068526|3.696349|2.150109|1.905895|1.693462|1.662329|1.813977|2.079901|2.649652|1.417632|2.603695|1.281372|1.232192|1.133437|1.084719|1.115568|1.209518|9.919332|7.941448|6.810617|5.629516|0.162731|0.237588|0.143000|0.144629|0.193863|0.301208|0.500000| |3.687598|4.113032|7.609587|0.146234|8.955557|17.616558|8.902173|5.848176|29.084550|4.610152|6.626810|6.043256|5.907909|3.538663|0.091501|5.006905|2.867300|2.422166|2.104806|2.080047|2.337819|2.792362|3.239307|1.700445|3.108916|1.513151|1.453566|1.319977|1.250856|1.285382|1.407974|11.464820|9.048387|13.499895|4.933164|0.097542|0.111296|0.085891|0.097112|0.112752|0.219321|0.206799|0.500000| |4.297721|4.561749|8.968628|0.203323|8.815827|17.535683|8.913367|6.092692|29.568760|4.546915|6.367905|5.458079|5.538351|3.478002|0.095263|4.893124|2.753486|2.395091|2.057198|1.980922|2.165396|2.566675|3.086838|1.623198|2.971205|1.447272|1.396814|1.271067|1.202408|1.231330|1.344983|10.906995|8.722193|10.863315|5.260071|0.121324|0.127784|0.096056|0.107885|0.114369|0.173238|0.219026|0.305325|0.500000| |2.074044|2.355868|3.855565|0.079144|2.802051|3.283692|4.363194|4.412804|46.452299|9.345235|5.826329|5.170904|7.841224|8.907391|0.202917|26.040053|7.356545|5.897006|4.475985|4.072866|4.447576|5.818512|5.696089|3.034039|5.997868|2.451051|2.231584|1.922495|1.806116|1.909771|2.212519|18.415166|12.454132|6.776241|3.358714|0.058251|0.056065|0.052401|0.065343|0.063066|0.076649|0.067985|0.087138|0.085729|0.500000| |1.648237|1.774790|2.794449|0.058914|2.070929|2.415940|2.829857|2.681590|22.530021|4.037408|3.544942|3.847119|6.660760|7.031920|0.227763|7.352175|8.911707|17.704248|8.945593|5.681823|4.957431|5.648595|7.514204|3.643195|6.637902|2.917979|2.798774|2.346616|2.102781|2.143328|2.473887|18.976098|14.287754|5.567413|2.232323|0.047005|0.045255|0.042132|0.048837|0.047314|0.055562|0.052861|0.065955|0.067178|0.155492|0.500000| |1.379274|1.478175|2.266279|0.047047|1.687643|1.907003|2.161557|2.082894|17.131569|2.849765|2.567619|2.769991|4.551707|4.090071|0.114201|4.832091|5.624996|8.868479|17.740471|8.955853|5.645459|4.952635|12.980868|5.885428|9.854636|4.429592|4.272350|3.325737|2.854869|2.886280|3.446807|24.698947|18.459431|4.273804|1.800418|0.038953|0.037979|0.035752|0.040776|0.039975|0.046122|0.043590|0.052953|0.052417|0.105432|0.214725|0.500000| |1.460272|1.590800|2.447932|0.049244|1.895891|2.144026|2.412374|2.277503|18.181237|3.082214|2.870708|3.211395|5.211188|4.082371|0.096497|5.059294|5.627214|4.960323|5.652077|8.945555|17.739874|8.891530|13.039336|5.839949|9.717005|4.386861|3.890056|3.102371|2.800077|2.958910|3.614867|27.767688|18.117291|5.097338|1.954538|0.040242|0.040739|0.037805|0.043162|0.044154|0.053581|0.048542|0.062110|0.056633|0.104465|0.107634|0.124537|0.500000| |1.793027|1.981787|3.161034|0.063450|2.500513|2.966661|3.482036|3.144163|25.113476|4.801310|4.513230|5.417946|9.510521|6.993641|0.141322|8.242564|8.911434|5.657727|4.952446|5.671835|8.953229|17.738331|7.518269|3.629501|6.590595|2.903827|2.680722|2.262720|2.079619|2.171688|2.532739|20.260855|14.121664|7.920877|2.550852|0.049344|0.050187|0.045634|0.053133|0.054773|0.070422|0.062563|0.087016|0.076896|0.152454|0.124170|0.107547|0.214412|0.500000| |1.126122|1.195743|1.789929|0.036652|1.351803|1.489380|1.622855|1.563945|12.285608|1.954434|1.842562|1.994290|3.107664|2.472906|0.066305|3.067023|3.067003|3.468760|4.591219|5.342733|4.164497|3.276687|14.528955|7.155423|8.898135|8.944255|17.783123|8.992148|5.695340|4.976203|5.665382|31.303670|31.737419|3.276458|1.398099|0.031446|0.031276|0.029546|0.032826|0.032845|0.037530|0.035460|0.042199|0.040659|0.064810|0.086092|0.137471|0.114717|0.079492|0.500000| |0.984468|1.038048|1.533045|0.031347|1.154863|1.253390|1.344860|1.304635|10.090370|1.564094|1.491635|1.593072|2.411544|1.876590|0.050801|2.381481|2.200138|2.404164|2.899005|3.181754|2.757984|2.323753|7.234020|4.118745|5.954214|5.609207|8.912881|17.761745|8.914748|5.640129|4.944593|27.391371|53.719768|2.669631|1.187911|0.027455|0.027359|0.026015|0.028545|0.028598|0.032130|0.030552|0.035496|0.034293|0.050080|0.062094|0.086020|0.078272|0.058948|0.215980|0.500000| |0.972256|1.037381|1.518669|0.030728|1.132371|1.207295|1.307745|1.298337|10.197940|1.528044|1.428812|1.478089|2.188103|1.723391|0.045875|2.304418|1.985232|2.099944|2.451027|2.739313|2.504110|2.134321|5.943383|4.080550|6.708400|5.628683|4.975955|5.642276|8.924644|17.779503|8.938047|55.552051|54.014320|2.457880|1.195462|0.026932|0.026825|0.025853|0.028766|0.028792|0.031897|0.029764|0.033995|0.032558|0.049566|0.054052|0.070145|0.073176|0.055385|0.108002|0.124163|0.500000| |2.301815|2.450656|4.068927|0.083929|3.544890|4.843740|4.839310|3.655345|23.701548|4.506290|6.024439|10.224419|11.425140|5.141176|0.128388|5.847394|4.152226|3.324773|2.811864|2.781738|3.210419|4.035353|4.192837|2.097026|3.729486|1.840657|1.797790|1.605569|1.485401|1.505679|1.661238|13.118321|10.598452|35.519827|2.960595|0.063768|0.067109|0.056737|0.062628|0.066564|0.093686|0.091258|0.158568|0.134228|0.098025|0.088076|0.068756|0.083222|0.127491|0.053510|0.043414|0.039150|0.500000| |4.814168|7.058103|12.392543|0.229629|5.633476|4.888623|5.735447|8.847541|45.054242|4.367750|4.326876|3.269754|3.833789|2.840299|0.077329|4.634992|2.383152|2.151548|1.892730|1.821728|1.951266|2.236258|2.882307|1.578796|2.987121|1.405785|1.324942|1.209641|1.166738|1.217920|1.336075|11.204025|8.468327|5.366816|17.603279|0.132504|0.113779|0.115087|0.229935|0.163504|0.146341|0.126685|0.109351|0.121958|0.089823|0.060630|0.048971|0.051311|0.065290|0.037784|0.032235|0.032598|0.072966|0.500000| |4.625430|7.241401|12.419569|0.182530|6.889610|5.389098|6.049747|8.782118|41.125508|4.268953|4.393795|3.369521|3.885998|2.789004|0.073301|4.535851|2.376548|2.100950|1.868034|1.838058|2.009707|2.305664|2.915462|1.596716|3.015621|1.423209|1.337092|1.221082|1.180851|1.236125|1.356961|11.435551|8.567430|5.686754|17.574496|0.115859|0.116123|0.112042|0.199089|0.207671|0.214965|0.144596|0.126101|0.122021|0.086940|0.057870|0.047881|0.053644|0.069087|0.038021|0.032478|0.033138|0.076783|0.301756|0.500000| 2623.686155 -13186.133026 4685.609305 -257.347043 -6134.184609 3508.326352 -2625.858257 2.000828 40B4400000000003 452A7EFCA338DFD9 44A9FD0B6A262133 423408609B000002 B4216C2614EA0809 446111222CB7BEE1