Version2.0 2020-07-18T12:41:01Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 22-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@@H]1C(=C(NC(=O)N1)CN2CC[NH+](CC2)Cc3[nH]c(=O)c4c5c(sc4n3)CCCC5)C(=O)OCC C22920533 RHF 6-31G(d) (6D,7F) CC[C@@H]1C(=C(NC(=O)N1)CN2CC[NH+](CC2)Cc3[nH]c(=O)c4c5c(sc4n3)CCCC5)C(=O)OCC C01[X(C25H35N6O4S1)] 207 C1 614 CCOC(=O)C1=C(CN2CC[NH+](CC2)Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)NC(=O)N[C@@H]1CC CCOC(=O)C1=C(CN2CC[NH+](CC2)Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)NC(=O)N[C@@H]1CC CCOC(=O)C1=C(CN2CC[NH+](CC2)CC3=Nc4sc5CCCCc5c4C(=O)N3)NC(=O)N[C@@H]1CC InChIKey=KCKPTQHNBNAFDR-MRXNPFEDSA-O InChI=1S/C25H34N6O4S/c1-3-16-21(24(33)35-4-2)17(27-25(34)26-16)13-30-9-11-31(12-10-30)14-19-28-22(32)20-15-7-5-6-8-18(15)36-23(20)29-19/h16H,3-14H2,1-2H3,(H2,26,27,34)(H,28,29,32)/p+1/t16-/m1/s1 InChI=1/C25H34N6O4S/c1-3-16-21(24(33)35-4-2)17(27-25(34)26-16)13-30-9-11-31(12-10-30)14-19-28-22(32)20-15-7-5-6-8-18(15)36-23(20)29-19/h16H,3-14H2,1-2H3,(H2,26,27,34)(H,28,29,32)/p+1/t16-/m1/s1/fC25H35N6O4S/h26-28,31H/q+1 CC[C@@H]1C(=C(NC(=O)N1)CN2CC[NH+](CC2)Cc3[nH]c(=O)c4c5c(sc4n3)CCCC5)C(=O)OCC C01[X(C25H35N6O4S1)] 207 C01 614 CCOC(=O)C1=C(CN2CC[NH+](CC2)Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)NC(=O)N[C@@H]1CC CCOC(=O)C1=C(CN2CC[NH](CC2)CC2=N[C]3[C]([C]4=C(S3)CCCC4)C(=O)N2)NC(=O)N[C@@H]1CC CCOC(=O)C1=C(CN2CC[NH](CC2)CC3=N[C]4SC5=C(CCCC5)[C]4C(=O)N3)NC(=O)N[C@@H]1CC InChIKey=HUCUXWWQHCWPBK-MRXNPFEDSA-N InChI=1S/C25H35N6O4S/c1-3-16-21(24(33)35-4-2)17(27-25(34)26-16)13-30-9-11-31(12-10-30)14-19-28-22(32)20-15-7-5-6-8-18(15)36-23(20)29-19/h16,31H,3-14H2,1-2H3,(H2,26,27,34)(H,28,29,32)/t16-/m1/s1 InChI=1/C25H35N6O4S/c1-3-16-21(24(33)35-4-2)17(27-25(34)26-16)13-30-9-11-31(12-10-30)14-19-28-22(32)20-15-7-5-6-8-18(15)36-23(20)29-19/h16,31H,3-14H2,1-2H3,(H2,26,27,34)(H,28,29,32)/t16-/m1/s1/f/h26-28H 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25.0548 10.2048 28.1927 11.8858 120.9489 75.6682 4.6936 10.8505 13.7392 28.1192 1.9143 413.9638 4.5978 199.1994 58.5497 13.1375 6.1705 33.0089 23.0790 83.2914 90.4925 32.4915 39.3579 236.7783 128.3206 28.5217 55.6726 91.0946 90.6546 92.7446 21.7097 134.9655 200.0333 129.9888 70.3370 31.6945 86.8814 57.1076 79.1071 99.7276 49.6118 58.6387 80.0312 113.3876 99.0286 18.7467 44.4491 36.0146 48.8487 44.4232 64.8124 68.1278 61.1229 0.7495 0.7493 0.7498 0.7495 0.7286 0.7492 0.5458 0.7447 0.7405 0.7467 0.4924 0.7440 0.7081 0.7203 0.6338 0.2979 0.7485 0.7468 0.7363 0.6067 0.7444 0.5304 0.7163 0.4289 0.1916 0.5345 0.5203 0.7332 0.2681 0.2840 0.1131 0.2090 0.2033 0.2912 0.1944 0.1961 0.7449 0.4280 0.7350 0.4213 0.5466 0.4579 0.3229 0.6314 0.2253 0.2628 0.3823 0.7272 0.1992 0.3525 0.1715 0.5095 0.6424 0.4020 0.2864 0.7340 0.3788 0.1473 0.1334 0.4574 0.0859 0.2361 0.3400 0.6610 0.5141 0.3137 0.7004 0.1237 0.3956 0.3357 0.4458 0.1618 0.1685 0.6514 0.1296 0.5730 0.7361 0.7289 0.1759 0.4985 0.3793 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0.6445 0.8026 0.8571 0.7533 0.8045 0.5348 0.8130 0.4260 0.3843 0.3049 0.3568 0.5235 0.4777 0.3374 0.2704 0.5904 0.8570 0.2013 0.0143 0.8565 0.4482 0.0606 0.7416 0.6433 0.3862 0.2708 0.4075 0.7528 0.1986 0.8323 0.2096 0.6265 0.8280 0.7293 0.4494 0.1322 0.6933 0.4207 0.4354 0.4916 0.8338 0.8564 0.8058 0.3505 0.4574 0.4601 0.3502 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 6 6 6 1 6 6 7 6 8 7 6 7 6 6 7 1 6 6 6 6 7 1 6 8 6 6 6 16 6 7 6 6 6 6 6 8 8 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 1 1 1 1 1 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 14.00307 12.00000 15.99491 14.00307 12.00000 14.00307 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 15.99491 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 15.99491 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 1.00783 1.00783 1.00783 1.00783 1.00783 7091.7154 52247.2566 54769.2905 0.99998 -0.00663 -0.00101 0.00660 0.99967 -0.02490 0.00117 0.02489 0.99969 1 0.01221 0.00166 0.00158 0.25449 0.03454 0.03295 14.96 22.46 25.77 38.32 49.23 52.44 62.73 87.43 100.49 110.68 138.51 143.18 153.69 155.59 169.97 181.91 193.56 203.13 235.69 256.08 280.81 319.43 323.43 328.43 353.24 362.84 378.89 400.94 416.86 423.08 435.77 440.67 461.42 499.44 514.10 545.87 566.84 571.81 594.10 612.27 634.07 646.28 662.73 695.68 701.19 722.17 747.68 765.91 788.28 801.51 824.65 858.87 883.26 889.59 923.80 935.46 955.08 958.94 991.05 1012.84 1030.61 1052.87 1085.49 1105.57 1147.31 1224.60 1234.08 1243.26 1250.53 1254.55 1270.19 1288.34 1304.53 1309.54 1314.23 1336.77 1346.38 1382.83 1407.86 1435.10 1438.90 1460.15 1467.52 1483.42 1501.64 1536.65 1550.54 1574.30 1585.90 1603.18 1606.62 1616.13 1641.52 1655.82 1669.98 1678.75 1694.32 1728.22 1747.80 1751.38 1761.55 1781.10 1782.96 1793.91 1796.49 1825.74 1826.59 1860.57 1863.88 1874.54 1885.08 1890.26 1901.34 1929.09 1941.24 1982.78 1998.40 2013.51 2025.07 2030.52 2039.79 2046.63 2055.59 2083.92 2106.36 2112.15 2127.59 2134.16 2145.42 2151.12 2169.94 2178.23 2181.61 2205.23 2205.67 2223.44 2225.03 2238.65 2248.56 2251.82 2259.40 2260.46 2279.21 2291.35 2302.99 2333.65 2335.33 2338.90 2343.49 2344.66 2348.55 2348.88 2355.35 2357.09 2359.12 2361.20 2364.43 2365.23 2366.38 2373.18 2375.80 2378.01 2378.45 2391.79 2404.33 2440.07 2551.52 2647.43 2739.81 2835.24 2875.03 2881.63 4509.34 4524.24 4560.53 4606.35 4609.53 4611.67 4613.43 4618.90 4623.41 4629.98 4650.80 4668.33 4674.14 4675.33 4691.13 4695.40 4697.02 4708.24 4713.54 4718.20 4719.13 4722.77 4725.74 4737.42 4745.26 4745.66 4771.45 4772.46 4778.99 4811.61 4829.41 5167.97 5502.14 5567.92 5591.44 0.649378 0.681833 0.682777 0.580838 -1989.963518 -1989.931063 -1989.930119 -1990.032058 3.419051D-04 MUNgauss RevisionA2.0 retrievium 18-Jul-2020 DUDE CC[C@@H]1C(=C(NC(=O)N1)CN2CC[NH+](CC2)Cc3[nH]c(=O)c4c5c(sc4n3)CCCC5)C(=O)OCC C22920533 RHF 6-31G(d) (6D,10F) C1 515.244051 |X|Y|Z| 38.440764 52.891128 164.868676 69.465792 27 6 7 16 20 6 1 |36.858105| |12.463618|36.858105| |7.417803|12.384367|36.858105| |6.870507|8.878443|17.570986|0.500000| |4.882602|7.545508|12.567531|0.249808|36.858105| |3.978029|5.556066|7.708089|0.163665|14.375637|36.858105| |3.969840|5.160856|6.811215|0.144044|8.111439|13.752744|53.358707| |4.640783|5.620600|7.621637|0.161292|6.732022|7.809827|18.752929|36.858105| |3.981367|4.393494|5.300722|0.123120|4.733560|5.415946|11.535704|15.924069|73.516695| |6.221089|7.628712|13.080432|0.257673|7.889558|7.034559|11.285832|14.071443|14.989391|53.358707| |3.062160|3.981997|4.874279|0.116351|7.568376|12.550927|10.566302|5.082907|7.261465|6.182756|36.858105| |2.778661|3.493908|4.341917|0.112240|6.448063|7.797608|7.348854|4.114479|6.063645|5.375369|13.095744|53.358707| |2.340284|2.848747|3.315687|0.087384|4.467736|5.080888|5.400134|3.176764|4.903792|4.148915|7.800634|17.958060|36.858105| |2.170011|2.576638|2.978987|0.081892|3.810352|3.966081|4.361113|2.723447|4.258366|3.688423|5.087501|10.717156|12.519509|36.858105| |2.112881|2.457533|2.914612|0.081970|3.589049|3.718453|4.250152|2.731016|4.318424|3.713295|4.452985|9.101246|7.664197|12.665463|53.358707| |1.971472|2.272216|2.672036|0.074200|3.237882|3.469346|4.102506|2.630150|4.231368|3.495487|4.223693|8.093293|7.099661|9.347495|25.540593|0.500000| |2.429600|2.851653|3.567370|0.101871|4.442850|4.541357|5.113306|3.309888|5.122628|4.568814|5.094851|10.710952|6.632999|7.686992|17.254426|0.255718|36.858105| |2.654192|3.207715|4.132101|0.111272|5.515156|6.398904|6.965464|4.171187|6.290094|5.450224|7.808463|17.921916|7.996301|6.660929|10.493840|0.196947|12.547842|36.858105| |1.921683|2.182119|2.530086|0.072753|2.971552|2.966365|3.485585|2.320397|3.724338|3.215500|3.349393|6.120947|4.984427|7.668904|17.444170|0.264314|7.645361|4.992242|36.858105| |1.681330|1.886839|2.139511|0.060701|2.471709|2.518766|3.040403|2.028166|3.315142|2.764875|2.874300|4.961155|4.246310|5.958330|10.594232|0.223499|5.105346|3.925503|12.589585|36.858105| |1.547551|1.713734|1.912896|0.054640|2.162669|2.171290|2.650138|1.795471|2.955840|2.467994|2.417201|4.013259|3.339565|4.413861|7.035801|0.142627|3.900615|3.114411|7.790741|14.140263|53.358707| |1.563260|1.723263|1.918145|0.055333|2.149883|2.122828|2.583631|1.765695|2.899363|2.455548|2.322396|3.837179|3.114006|4.099178|6.435121|0.123921|3.756262|2.965580|7.299480|9.277483|25.933472|0.500000| |1.393321|1.530143|1.686881|0.047860|1.885846|1.908817|2.367184|1.610508|2.680352|2.197069|2.119917|3.407607|2.835546|3.515624|5.312640|0.112428|3.099868|2.616243|5.029290|7.812849|18.370949|0.259463|36.858105| |1.313498|1.430535|1.563144|0.044521|1.726275|1.732031|2.159157|1.482403|2.475420|2.033508|1.895687|2.996999|2.448794|2.968760|4.387552|0.090822|2.674611|2.285092|4.063173|5.453772|11.534331|0.219444|16.010509|73.516695| |1.365087|1.503435|1.657901|0.046519|1.862859|1.921111|2.402448|1.621803|2.714438|2.181524|2.166799|3.451419|2.924266|3.501060|5.232879|0.117481|3.032594|2.649852|4.504727|7.011770|10.933056|0.161796|13.099366|14.176634|36.858105| |1.246704|1.363606|1.489061|0.041584|1.656608|1.715968|2.174966|1.475188|2.491843|1.973559|1.923376|2.979960|2.495968|2.848780|4.131471|0.092497|2.506410|2.268512|3.369427|4.599014|6.873960|0.114925|7.298972|10.901736|13.184318|36.858105| |1.242963|1.362421|1.487963|0.041221|1.660106|1.742934|2.226155|1.501614|2.548582|1.987298|1.971987|3.020931|2.544984|2.809382|4.033422|0.092604|2.467929|2.296508|3.121017|4.096007|5.589130|0.094996|5.129701|7.712255|8.257935|14.149309|36.858105| |1.380491|1.530305|1.691655|0.046563|1.918521|2.047860|2.602677|1.729267|2.921130|2.266089|2.374261|3.696211|3.194649|3.493795|5.082851|0.123837|3.012923|2.834877|3.728507|4.943244|5.966197|0.098991|4.832659|6.840678|7.435840|7.368555|10.894925|388.023441| |1.466333|1.630766|1.816928|0.050623|2.072214|2.171145|2.704246|1.801538|3.005313|2.399806|2.503794|4.056946|3.529381|4.230026|6.468703|0.156160|3.576358|3.144464|5.227504|8.504728|9.861558|0.145810|7.867564|9.524784|13.986128|8.133345|7.710415|78.790244|36.858105| |1.637361|1.841922|2.085838|0.058274|2.422583|2.538540|3.101663|2.045599|3.368654|2.734875|2.969820|5.055661|4.483902|5.813410|9.838186|0.255165|4.807293|4.001799|7.966756|14.987225|11.189378|0.164809|6.653883|8.370255|7.819016|5.194065|4.978139|49.825022|13.832758|53.358707| |1.145448|1.247648|1.351108|0.037299|1.493453|1.570984|2.030149|1.376743|2.355793|1.815009|1.762194|2.637865|2.188430|2.343027|3.308937|0.074865|2.093656|1.991888|2.509409|3.096751|4.234666|0.075233|3.728160|6.015813|5.061422|7.508649|12.651033|47.598130|4.824999|4.914636|36.858105| |1.073200|1.162624|1.249697|0.034630|1.371416|1.427760|1.843037|1.258380|2.153002|1.671048|1.583891|2.360616|1.941593|2.094374|2.930591|0.064707|1.872129|1.769516|2.264629|2.755684|3.926483|0.071448|3.540046|6.057642|4.454854|6.683575|7.660371|32.750106|3.915372|4.156467|12.421270|36.858105| |1.071318|1.156438|1.246201|0.034780|1.361192|1.404720|1.808940|1.242991|2.123280|1.662926|1.544133|2.320494|1.889606|2.075112|2.955752|0.064643|1.892646|1.756353|2.350658|2.887631|4.290597|0.078640|4.051307|7.259229|4.900514|7.598136|6.758928|29.747140|3.960978|4.213424|7.538654|12.451595|36.858105| |1.149202|1.246398|1.349089|0.037802|1.483183|1.522632|1.939569|1.328201|2.251853|1.786619|1.680814|2.567988|2.111577|2.385143|3.417621|0.074387|2.138507|1.943858|2.804024|3.595493|5.620787|0.100766|5.886462|10.704349|7.233795|12.607351|7.596530|33.487476|5.029557|5.142001|6.274154|7.516253|12.430736|36.858105| |4.157802|5.893813|7.462080|0.198393|12.770409|7.688751|6.924050|4.417731|6.151310|6.906542|6.353805|8.987512|4.878382|4.439373|5.426751|0.095594|4.771596|5.287655|3.353119|2.715876|3.244650|0.066616|2.046054|3.332494|1.988065|1.747261|1.729257|14.125077|2.196112|3.531248|1.541505|1.424295|1.420716|1.565649|36.858105| |3.860697|4.982471|6.271324|0.196427|8.042143|5.565943|5.622468|3.815587|5.498868|6.124955|4.871625|7.584690|4.375475|4.389218|5.637670|0.096662|5.064817|4.993260|3.640676|2.858814|3.449184|0.072080|2.143073|3.506914|2.043379|1.779986|1.739836|14.078949|2.232948|3.611372|1.542061|1.432208|1.443259|1.601607|15.960693|73.516695| |3.667610|5.073580|5.441245|0.138725|8.102885|6.417232|6.058620|3.755158|5.421100|5.513727|6.210653|8.326541|5.074943|4.482215|5.064879|0.090572|4.070563|4.502722|3.151301|2.633854|3.167529|0.064683|2.019734|3.294773|1.973924|1.745284|1.732497|14.114490|2.176401|3.459073|1.549780|1.435892|1.421887|1.565829|14.416938|15.299308|73.516695| |3.115630|3.963834|4.062709|0.110486|5.175763|4.366755|4.551735|2.946439|4.427634|4.328539|4.465414|6.487847|4.477923|4.381513|4.840351|0.085665|3.666020|3.734965|3.173385|2.671144|3.281020|0.067919|2.088129|3.436302|2.008580|1.770910|1.736570|13.925949|2.178473|3.435210|1.549515|1.450737|1.443102|1.601071|8.088565|12.744425|23.729698|36.858105| |2.758002|3.412317|3.325773|0.088051|4.057822|3.700657|4.048036|2.610398|4.014411|3.714780|3.928152|5.383630|3.976722|3.769500|4.115048|0.075448|2.998163|3.117075|2.724260|2.402458|2.987916|0.061263|1.948308|3.224281|1.897411|1.699267|1.677982|13.354069|2.047517|3.152666|1.513282|1.423050|1.402340|1.544873|5.270433|8.196237|14.270013|12.584997|36.858105| |17.559440|8.741326|6.615996|0.165877|4.443471|3.842114|5.563019|5.111598|8.132076|9.185494|2.953707|3.609484|2.233751|2.057521|2.757604|0.053079|2.336414|2.581362|1.837788|1.619621|2.026485|0.041600|1.346871|2.255545|1.326827|1.216669|1.218064|9.630484|1.427876|2.162110|1.126507|1.053167|1.049901|1.121269|3.645045|6.017659|5.732887|2.738702|2.458976|0.500000| |17.534755|8.765012|6.774413|0.205274|4.538919|3.634380|4.829280|4.115585|6.349368|7.633201|2.859906|3.657130|2.272355|2.152527|2.888386|0.054656|2.455069|2.614020|1.955955|1.700386|2.141430|0.044439|1.411473|2.373226|1.372623|1.249913|1.239272|9.745723|1.467241|2.233098|1.139253|1.070258|1.074019|1.155191|4.074095|7.115472|6.223992|3.060555|2.655049|0.300790|0.500000| |17.574100|8.816937|5.442751|0.141213|4.071540|3.434076|4.640478|3.822547|6.030309|6.383890|2.756839|3.407646|2.159610|2.009406|2.636194|0.050377|2.181209|2.362612|1.775956|1.570024|1.980532|0.040858|1.318290|2.218660|1.291825|1.185554|1.181885|9.278679|1.380953|2.083218|1.093731|1.028832|1.025601|1.097700|3.646034|6.023542|6.017400|2.963438|2.705003|0.303234|0.302080|0.500000| |8.823285|17.537823|8.861723|0.174327|6.903839|5.785435|7.683516|5.903890|8.290072|9.419033|4.166093|4.719165|2.855929|2.517908|3.226382|0.061633|2.704443|3.116694|2.085226|1.827348|2.253287|0.045911|1.488667|2.469603|1.475642|1.345765|1.353489|10.842617|1.606630|2.456838|1.244971|1.157554|1.144531|1.228355|5.228414|7.569274|8.680945|3.768446|3.407425|0.211054|0.172516|0.211074|0.500000| |8.878304|17.517068|8.893426|0.213564|7.061222|5.050141|5.950007|4.435734|6.362946|7.609535|3.866552|4.761033|2.908383|2.670943|3.402831|0.063483|2.852803|3.128516|2.239695|1.929203|2.396068|0.049431|1.566748|2.610225|1.529454|1.383183|1.375031|10.939057|1.651695|2.541772|1.255956|1.174951|1.170285|1.266703|6.629984|9.959035|10.610882|4.743199|3.997448|0.172916|0.209822|0.215651|0.303332|0.500000| |3.348691|4.131599|5.026263|0.113600|5.861450|9.154002|26.064505|9.488898|14.038383|8.167094|7.319117|6.869947|3.898974|3.094479|4.108731|0.082977|3.529853|4.842209|2.468004|2.195588|2.598899|0.051273|1.721230|2.783701|1.767780|1.611376|1.665390|13.939165|2.002036|3.100654|1.526389|1.377718|1.343625|1.432453|4.183544|6.216829|6.838308|2.999204|2.746642|0.096758|0.083860|0.082265|0.126990|0.100334|0.500000| |6.604995|6.692727|9.003043|0.219570|5.709489|5.144201|8.164821|9.662665|13.946939|26.030671|3.675572|4.490663|2.642527|2.401633|3.325487|0.064248|2.963618|3.402655|2.162369|1.876610|2.305040|0.046983|1.516909|2.511674|1.502397|1.366255|1.373268|11.033628|1.639553|2.519476|1.260248|1.165092|1.162615|1.244763|4.162146|6.884685|6.085672|2.803640|2.439076|0.221799|0.170208|0.135587|0.165587|0.138302|0.133660|0.500000| |2.771143|3.460089|4.137571|0.099770|5.646062|8.888536|10.430935|4.981350|7.510057|5.665888|17.469595|12.249835|6.716880|4.483172|5.579958|0.113923|4.575367|7.026986|3.112233|2.758902|3.156694|0.061231|2.064900|3.275078|2.147692|1.927262|2.004945|17.360958|2.504059|3.986927|1.804664|1.607285|1.555099|1.677476|4.699133|6.866599|8.181128|3.577293|3.283421|0.076069|0.071729|0.069806|0.102188|0.091404|0.240025|0.095818|0.500000| |2.978953|3.894681|4.408265|0.105333|6.552433|8.917254|8.345022|4.316218|6.333659|5.392615|17.620499|12.555158|7.404048|4.864297|5.427039|0.104748|4.253825|5.692054|3.105934|2.719361|3.158812|0.062083|2.053749|3.283545|2.098024|1.875055|1.921697|16.282214|2.401805|3.816119|1.726605|1.561605|1.514864|1.647487|6.101650|8.146478|12.435578|4.984024|4.646120|0.078713|0.076569|0.076241|0.116072|0.108553|0.163455|0.091229|0.302173|0.500000| |2.142170|2.557121|2.948659|0.077420|3.802528|4.468473|5.099564|3.012945|4.772972|3.830520|6.708800|12.212173|17.422220|8.833168|9.278920|0.205712|5.755945|7.104618|4.584186|4.208052|4.468310|0.083065|2.860437|4.349872|3.060217|2.641272|2.764208|25.676125|3.814088|6.505375|2.376663|2.067596|1.985449|2.199727|3.912448|6.324357|7.138852|3.587257|3.323328|0.057615|0.057595|0.055133|0.072036|0.071359|0.106720|0.068541|0.188337|0.173711|0.500000| |2.338636|2.868274|3.215786|0.083708|4.320918|4.828067|5.120802|3.013118|4.656470|3.949931|7.283653|12.489586|17.603713|9.010562|7.621206|0.144584|4.963285|5.735618|4.150409|3.670015|4.108999|0.079111|2.619271|4.086969|2.690714|2.339082|2.383920|20.730001|3.161135|5.207611|2.080015|1.866822|1.805363|2.007305|4.845369|7.478267|9.913745|5.031716|4.744171|0.061499|0.062527|0.060728|0.081011|0.082728|0.102593|0.070103|0.170324|0.232378|0.301883|0.500000| |1.945846|2.273087|2.561358|0.070346|3.166634|3.304887|3.767477|2.384465|3.796188|3.209651|4.158476|7.698963|8.790922|17.647228|12.370308|0.228252|5.617228|4.991156|7.137986|6.651123|6.692721|0.122378|3.973723|5.847363|4.032828|3.231285|3.178266|28.372644|4.952252|9.205241|2.602210|2.318434|2.280545|2.657303|3.617332|6.366879|6.686171|3.821940|3.483127|0.051433|0.053573|0.050613|0.062188|0.065534|0.075463|0.058848|0.106335|0.114548|0.215078|0.212033|0.500000| |2.298642|2.747133|3.155892|0.088092|4.051041|3.979323|4.282436|2.714085|4.197990|3.778449|4.814096|9.685359|8.863660|17.642342|12.421277|0.182212|6.999950|5.847183|7.078917|5.199274|5.656551|0.112771|3.290255|5.081429|3.149407|2.590081|2.509691|21.236316|3.611384|6.403085|2.122084|1.935156|1.936124|2.226108|5.119008|9.354491|9.284998|5.429244|4.383698|0.059663|0.063826|0.059182|0.073469|0.080828|0.082403|0.068376|0.112960|0.131307|0.173451|0.217636|0.298610|0.500000| |2.283238|2.608120|3.243995|0.093943|3.804933|3.888113|4.646875|3.122741|4.957241|4.304464|4.165770|7.694991|4.971185|5.614383|12.369039|0.223737|17.622636|8.808920|7.098687|5.011921|5.312230|0.104455|3.125508|4.806091|3.053909|2.529155|2.483799|21.408234|3.573241|6.422759|2.107926|1.881223|1.919874|2.162488|3.923028|7.495199|5.974666|3.070226|2.571012|0.061740|0.064608|0.056921|0.068560|0.071585|0.090239|0.079332|0.109067|0.097793|0.129652|0.109145|0.126824|0.143173|0.500000| |2.625677|3.101164|3.911653|0.115655|4.869713|4.585134|5.015053|3.314936|5.048306|4.780314|4.827382|9.687779|5.826829|6.964436|12.346645|0.180182|17.627845|8.866897|7.016749|4.577564|5.037576|0.103025|2.929868|4.592754|2.784339|2.316922|2.250226|18.917832|3.165461|5.582464|1.926315|1.750987|1.780809|2.015450|5.670063|11.752439|8.169002|4.200561|3.266746|0.068967|0.074739|0.065177|0.079802|0.087761|0.093273|0.086149|0.115042|0.115448|0.133314|0.130695|0.142670|0.208909|0.298651|0.500000| |2.981229|3.614797|4.963643|0.133821|6.487274|7.449850|8.361086|5.146210|7.510890|6.791611|7.307794|12.463613|5.736305|4.969416|7.651606|0.144399|9.038146|17.635785|4.151030|3.318987|3.728046|0.073713|2.333179|3.686998|2.341302|2.035043|2.054228|17.591071|2.708913|4.526958|1.807835|1.620685|1.615116|1.772353|5.593023|9.398755|7.901473|3.586566|2.965670|0.081300|0.081731|0.072139|0.096102|0.095194|0.153132|0.115008|0.182787|0.146061|0.144312|0.127840|0.109364|0.130657|0.213386|0.217545|0.500000| |2.386903|2.819429|3.510537|0.093544|4.421484|5.335279|6.432880|3.873292|6.103232|4.845011|6.712118|12.235735|7.147049|5.816015|9.378266|0.206848|8.833090|17.411827|4.606251|3.893011|4.172363|0.079379|2.630863|4.052949|2.742092|2.368630|2.444866|22.047647|3.329848|5.714347|2.123159|1.856843|1.828004|2.006580|4.124977|6.906955|6.578125|3.153454|2.750607|0.065491|0.064905|0.059612|0.077553|0.075645|0.133020|0.085810|0.197564|0.140942|0.211845|0.144658|0.130990|0.134297|0.214585|0.173324|0.301719|0.500000| |1.962757|2.233069|2.556983|0.074120|3.001210|2.913876|3.376758|2.256925|3.598083|3.175923|3.244153|5.847305|4.741446|7.457504|12.326666|0.184987|6.422923|4.456116|17.620832|8.794923|9.613192|0.207759|4.671231|7.039099|4.014085|3.083090|2.824440|23.086104|4.389170|8.129735|2.312048|2.130889|2.215679|2.644878|3.528885|6.986536|5.972303|3.526606|2.980227|0.051577|0.055756|0.050617|0.058883|0.064690|0.065676|0.059387|0.081858|0.085525|0.115806|0.115192|0.194007|0.226494|0.157525|0.188625|0.106009|0.110335|0.500000| |1.924960|2.158191|2.526905|0.073792|2.894235|2.860272|3.420922|2.324827|3.752902|3.249713|3.113877|5.524883|4.180215|5.654074|12.349970|0.209455|7.578804|4.786125|17.600461|8.932165|9.200198|0.187850|4.604437|6.854641|4.075385|3.131889|2.896185|24.038848|4.560899|8.630188|2.364697|2.145558|2.255705|2.660860|3.201053|6.304753|5.193968|2.901835|2.475998|0.051382|0.054915|0.049149|0.056801|0.061024|0.066997|0.061270|0.081037|0.078999|0.108554|0.097754|0.142826|0.150973|0.230542|0.196684|0.115953|0.123115|0.301833|0.500000| |1.125694|1.221426|1.325866|0.036621|1.457244|1.536135|2.001609|1.364197|2.347183|1.794007|1.711399|2.548561|2.082855|2.207878|3.167818|0.071961|2.039479|1.948535|2.389448|2.897788|3.928433|0.070424|3.383549|5.495559|4.439041|6.066299|8.943509|42.387572|4.341867|4.580316|17.522379|8.802999|6.580145|5.283384|1.491708|2.654004|2.647376|1.478234|1.437118|0.030869|0.031115|0.029814|0.033850|0.034001|0.041914|0.034704|0.048965|0.046259|0.062968|0.054629|0.066916|0.055606|0.057712|0.051937|0.049468|0.058107|0.060710|0.063585|0.500000| |1.148041|1.253776|1.353034|0.037141|1.500468|1.588304|2.055841|1.386894|2.375217|1.818658|1.794172|2.660857|2.224103|2.338735|3.237860|0.073339|2.052919|1.985921|2.400365|2.905113|3.883034|0.069460|3.297433|5.305375|4.342085|5.745703|8.898049|45.430659|4.391336|4.651590|17.550511|8.797117|5.505428|4.845835|1.543671|2.722913|2.778515|1.558526|1.535342|0.031380|0.031587|0.030504|0.034924|0.035045|0.043148|0.035006|0.051334|0.049129|0.067760|0.059233|0.072408|0.058596|0.056843|0.052424|0.049981|0.059027|0.061753|0.062301|0.303599|0.500000| |1.018586|1.098995|1.177139|0.032577|1.284506|1.338337|1.739197|1.192092|2.049208|1.580239|1.476141|2.177482|1.773559|1.887716|2.636836|0.058006|1.711124|1.632266|2.018129|2.397260|3.385841|0.062549|2.962924|5.130796|3.580185|4.897151|5.579382|27.252542|3.252601|3.587757|8.855937|17.566365|8.808691|5.481959|1.326415|2.365763|2.376374|1.346491|1.324986|0.027833|0.028191|0.027173|0.030450|0.030786|0.036193|0.030697|0.041757|0.040453|0.052448|0.047539|0.057391|0.048685|0.047865|0.044575|0.041834|0.047633|0.052931|0.053555|0.219655|0.206932|0.500000| |1.075747|1.167930|1.249867|0.034586|1.375642|1.429568|1.836572|1.250061|2.132099|1.662342|1.591301|2.369109|1.965262|2.123836|2.916001|0.063852|1.851346|1.753289|2.250072|2.728536|3.901183|0.071319|3.500904|6.030807|4.315451|6.160384|6.688714|30.873045|3.793760|4.082179|8.847654|17.527757|8.849427|6.911002|1.436729|2.563436|2.594908|1.484638|1.467192|0.029243|0.029766|0.028717|0.032341|0.032909|0.038079|0.032142|0.044672|0.043917|0.057887|0.053029|0.065989|0.054730|0.051130|0.048376|0.044505|0.050775|0.059531|0.058534|0.174014|0.219672|0.303198|0.500000| |1.063519|1.144650|1.237581|0.034586|1.346132|1.390909|1.801058|1.242667|2.130449|1.660674|1.521392|2.283028|1.839660|2.009471|2.908179|0.063921|1.883713|1.748061|2.308305|2.810623|4.133334|0.075996|3.819020|6.782640|4.576634|6.620239|6.201962|28.896501|3.811807|4.109632|6.941351|8.863224|17.519985|8.845767|1.396349|2.525240|2.467187|1.399406|1.352387|0.029037|0.029648|0.028227|0.031438|0.032057|0.037205|0.032326|0.042717|0.041194|0.053819|0.048472|0.060572|0.052002|0.053674|0.049038|0.044856|0.050797|0.059845|0.062459|0.196586|0.140042|0.211213|0.173741|0.500000| |1.019574|1.096318|1.175119|0.032837|1.276982|1.311626|1.691092|1.166694|1.994979|1.565638|1.432390|2.139731|1.731288|1.895393|2.678109|0.057851|1.732747|1.611319|2.132051|2.562212|3.839968|0.072044|3.553255|6.627645|4.018158|5.553489|4.939073|24.195596|3.301713|3.656529|5.493389|8.821904|17.565512|8.856570|1.334715|2.413792|2.379322|1.364472|1.330880|0.027737|0.028422|0.027190|0.030126|0.030868|0.034819|0.030491|0.039947|0.039180|0.050126|0.046283|0.057545|0.049671|0.048715|0.045709|0.041424|0.046271|0.056581|0.057058|0.138071|0.123256|0.214740|0.210881|0.303508|0.500000| |1.140707|1.238316|1.332699|0.037329|1.466946|1.499579|1.901185|1.300069|2.197764|1.753895|1.656312|2.525953|2.089014|2.369470|3.319286|0.071197|2.070552|1.885271|2.726377|3.448997|5.462748|0.099889|5.629316|10.761304|6.326717|8.948537|6.105956|29.663819|4.539598|4.825869|5.259630|6.537422|8.799701|17.528008|1.559840|2.836278|2.795172|1.623480|1.577521|0.030815|0.031842|0.030360|0.033911|0.035121|0.038903|0.033920|0.045653|0.045464|0.059931|0.055818|0.074012|0.062050|0.057457|0.054759|0.047748|0.053564|0.073009|0.070961|0.120795|0.122107|0.137416|0.194499|0.174026|0.219867|0.500000| |1.146257|1.238344|1.343030|0.037846|1.468304|1.497675|1.908778|1.315255|2.230107|1.778569|1.637945|2.509887|2.036789|2.317481|3.377840|0.072795|2.136030|1.917754|2.832409|3.600251|5.849637|0.107263|6.250582|12.502176|6.690260|8.912974|5.796468|29.089769|4.628254|4.951558|4.854515|5.499506|8.800124|17.595371|1.552148|2.845633|2.739356|1.577359|1.509839|0.031061|0.032140|0.030376|0.033750|0.034956|0.038996|0.034524|0.045222|0.044389|0.058369|0.053523|0.070690|0.060678|0.060621|0.056249|0.048873|0.054670|0.074344|0.076124|0.122881|0.108158|0.123155|0.139667|0.219688|0.206686|0.305305|0.500000| |3.314986|4.124218|4.094864|0.115548|4.819801|3.901083|4.209000|2.829149|4.273311|4.281537|3.767067|5.416728|3.669739|3.693314|4.317023|0.076731|3.336885|3.322922|2.927507|2.465540|3.083991|0.064695|1.969348|3.278118|1.875235|1.660123|1.618399|12.813217|2.007547|3.136496|1.450469|1.367332|1.368954|1.516038|7.347667|13.108627|16.527063|17.635247|8.812516|0.079206|0.092470|0.088233|0.104969|0.143058|0.076467|0.078395|0.086176|0.112312|0.084435|0.109819|0.090769|0.125112|0.079692|0.108046|0.091207|0.078469|0.090858|0.076114|0.038572|0.040343|0.035357|0.038788|0.036968|0.036116|0.042702|0.041757|0.500000| |2.772104|3.422756|3.669518|0.102201|4.680223|4.091926|4.295172|2.777539|4.214402|4.041033|4.390015|6.981134|5.070812|5.401474|5.722635|0.098149|4.178446|4.039997|3.780620|3.105592|3.784734|0.078687|2.361023|3.856804|2.246577|1.949991|1.896187|15.267362|2.441806|3.916669|1.671017|1.562350|1.560637|1.751202|7.144001|12.664214|16.482146|17.593079|8.805757|0.068955|0.076774|0.072607|0.090046|0.109001|0.079664|0.073086|0.098606|0.131645|0.109477|0.155429|0.128753|0.204747|0.095094|0.135668|0.104125|0.093767|0.120860|0.093656|0.044078|0.046492|0.040013|0.044462|0.041924|0.040856|0.049411|0.047965|0.303025|0.500000| 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