Version2.1 2021-01-14T09:39:11Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 23-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c2c(nc3n(c2=O)CCCCC3)sc1C(=O)Nc4nc(cs4)C[NH+]5CCC(CC5)C C22290943 RHF 6-31G(d) (6D,7F) Cc1c2c(nc3n(c2=O)CCCCC3)sc1C(=O)Nc4nc(cs4)C[NH+]5CCC(CC5)C C01[X(C23H30N5O2S2)] 180 C1 548 CC1CC[NH+](CC1)Cc1csc(n1)NC(=O)c1sc2c(c1C)c(=O)n1c(n2)CCCCC1 CC1CC[NH+](CC1)Cc1csc(n1)NC(=O)c1sc2c(c1C)c(=O)n1c(n2)CCCCC1 CC1CC[NH+](CC1)Cc2csc(NC(=O)c3sc4N=C5CCCCCN5C(=O)c4c3C)n2 InChIKey=BFYGCABEQNFSLC-UHFFFAOYSA-O InChI=1S/C23H29N5O2S2/c1-14-7-10-27(11-8-14)12-16-13-31-23(24-16)26-20(29)19-15(2)18-21(32-19)25-17-6-4-3-5-9-28(17)22(18)30/h13-14H,3-12H2,1-2H3,(H,24,26,29)/p+1 InChI=1/C23H29N5O2S2/c1-14-7-10-27(11-8-14)12-16-13-31-23(24-16)26-20(29)19-15(2)18-21(32-19)25-17-6-4-3-5-9-28(17)22(18)30/h13-14H,3-12H2,1-2H3,(H,24,26,29)/p+1/fC23H30N5O2S2/h26-27H/q+1 Cc1c2c(nc3n(c2=O)CCCCC3)sc1C(=O)Nc4nc(cs4)C[NH+]5CCC(CC5)C C01[X(C23H30N5O2S2)] 180 C01 548 CC1CC[NH+](CC1)Cc1csc(n1)NC(=O)c1sc2c(c1C)c(=O)n1c(n2)CCCCC1 C[C@@H]1CC[NH](CC1)C[C]1=CS[C]([N]1)NC(=O)C1=[C]([C]2[C](S1)[N]=C1N(C2=O)CCCCC1)C CC1CC[NH](CC1)CC2=CS[C]([N]2)NC(=O)C3=C(C)[C]4[C](S3)N=C5CCCCCN5C4=O InChIKey=UNXOCRXXEZHMFE-UHFFFAOYSA-N InChI=1S/C23H30N5O2S2/c1-14-7-10-27(11-8-14)12-16-13-31-23(24-16)26-20(29)19-15(2)18-21(32-19)25-17-6-4-3-5-9-28(17)22(18)30/h13-14,27H,3-12H2,1-2H3,(H,24,26,29) InChI=1/C23H30N5O2S2/c1-14-7-10-27(11-8-14)12-16-13-31-23(24-16)26-20(29)19-15(2)18-21(32-19)25-17-6-4-3-5-9-28(17)22(18)30/h13-14,27H,3-12H2,1-2H3,(H,24,26,29)/f/h26H 3471.4672642502 -2105.3100859 1-A 27199.1492 125 423 548 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.08942 -92.05889 -20.63774 -20.60462 -15.83018 -15.71884 -15.70278 -15.67950 -15.63853 -11.46884 -11.46863 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1469.6313 1480.1226 1483.0307 1489.0130 1489.6999 1501.5289 1516.5256 1533.9541 1538.8505 1538.9929 1545.3609 1548.7195 1557.7120 1566.3081 1568.8366 1573.8596 1590.9587 1593.4092 1601.2981 1605.6444 1624.4010 1626.0287 1627.7021 1632.2798 1633.7719 1634.5001 1635.2315 1638.5579 1642.3330 1643.1474 1644.6296 1646.1483 1659.6343 1662.5998 1669.4569 1732.0367 1739.9014 1774.1840 1784.6847 1940.8411 1962.2529 3185.0739 3193.1939 3202.5530 3206.6181 3208.2321 3213.6076 3213.6490 3229.9244 3242.4495 3246.8665 3251.6789 3256.5670 3259.2462 3263.0671 3268.3287 3270.8088 3272.5561 3273.9381 3279.4754 3285.8328 3302.3692 3318.0819 3323.1815 3334.5676 3341.6843 3380.8090 3385.2790 3446.3664 3639.6395 3858.5041 4.9006 5.1490 4.8606 3.0895 5.3889 5.7411 4.0739 4.9397 5.2502 4.4705 5.4816 6.1495 1.1010 4.9533 4.8757 3.5260 4.3409 3.5634 2.6971 1.7401 3.4504 1.8622 3.1114 2.8003 2.5348 4.7932 3.5298 3.4271 5.9069 2.8396 6.5149 3.1812 4.0267 3.5923 3.9646 2.2111 3.7789 3.8564 2.5395 5.3231 2.8497 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12.00000 31.97207 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 8350.9618 41065.7888 47774.7963 0.99997 -0.00781 0.00272 0.00781 0.99997 -0.00231 -0.00270 0.00233 0.99999 1 0.01037 0.00211 0.00181 0.21611 0.04395 0.03778 17.52 23.20 33.87 61.60 66.95 79.16 90.13 99.78 136.02 148.58 158.14 172.18 193.68 221.08 244.94 292.96 312.97 322.49 345.18 353.57 368.62 375.68 401.99 410.36 422.24 452.17 475.46 487.98 493.50 508.28 563.35 576.01 592.33 605.41 646.53 647.87 666.10 680.91 705.89 717.99 741.18 785.22 796.28 821.14 839.94 879.51 902.75 935.36 939.60 984.72 994.19 1021.60 1049.52 1064.53 1114.35 1127.50 1147.93 1190.49 1196.30 1212.29 1251.33 1263.40 1277.79 1307.86 1318.76 1321.90 1332.59 1353.91 1388.17 1396.70 1400.86 1477.13 1490.49 1503.93 1517.35 1522.90 1542.90 1545.37 1550.94 1567.17 1590.62 1609.80 1622.64 1646.86 1651.71 1676.89 1678.48 1699.53 1706.58 1740.48 1746.45 1779.55 1785.17 1827.78 1849.78 1851.09 1872.64 1899.17 1933.52 1943.31 1952.49 1993.67 1996.16 2021.42 2039.48 2041.78 2070.58 2078.39 2085.08 2114.47 2129.57 2133.75 2142.36 2143.35 2160.37 2181.94 2207.02 2214.06 2214.27 2223.43 2228.26 2241.20 2253.57 2257.21 2264.43 2289.03 2292.56 2303.91 2310.16 2337.15 2339.49 2341.90 2348.49 2350.63 2351.68 2352.73 2357.52 2362.95 2364.12 2366.26 2368.44 2387.84 2392.11 2401.98 2492.01 2503.33 2552.66 2567.76 2792.44 2823.24 4582.61 4594.29 4607.76 4613.61 4615.93 4623.66 4623.72 4647.14 4665.16 4671.52 4678.44 4685.47 4689.33 4694.83 4702.40 4705.96 4708.48 4710.47 4718.43 4727.58 4751.37 4773.98 4781.32 4797.70 4807.94 4864.23 4870.66 4958.55 5236.63 5551.53 0.560146 0.587906 0.588850 0.498603 -2104.749940 -2104.722180 -2104.721236 -2104.811483 3.026899D-04 MUNgauss RevisionA2.0 retrievium 14-Jan-2021 DUDE Cc1c2c(nc3n(c2=O)CCCCC3)sc1C(=O)Nc4nc(cs4)C[NH+]5CCC(CC5)C C22290943 RHF 6-31G(d) (6D,10F) C1 472.184094 |X|Y|Z| 149.141793 65.631952 25.457057 62.927570 28 6 7 16 21 5 2 |36.858105| |12.664414|36.858105| |7.379979|13.208789|36.858105| |5.057137|8.088704|13.969199|36.858105| |3.822741|5.215423|7.871107|14.137945|53.358707| |3.639612|4.593940|6.998948|8.518415|20.087735|36.858105| |4.202682|5.036451|7.971553|7.204110|11.065949|13.994764|53.358707| |6.054969|7.321835|13.135951|7.909197|9.114163|7.842304|18.393607|36.858105| |6.377526|6.261721|8.081517|5.390253|6.417178|5.423453|11.408033|15.906663|73.516695| |3.454850|3.777951|5.086678|4.621186|7.038570|7.698758|17.539684|7.763277|12.538410|36.858105| |2.961784|3.191724|4.067141|3.850980|5.937637|6.013329|10.298280|5.470867|9.223686|12.459358|36.858105| |2.515438|2.770572|3.467384|3.536608|5.804753|5.748677|7.907374|4.213675|6.802313|7.414726|12.459663|36.858105| |2.577948|2.962731|3.787048|4.172338|7.518699|7.464822|8.270295|4.303437|6.504165|6.121066|7.390818|12.460646|36.858105| |2.831200|3.371394|4.504796|5.268498|10.881307|12.636415|10.468325|5.016303|7.132287|6.646589|6.085250|7.379760|12.365060|36.858105| |4.663424|7.296131|7.426246|11.058677|9.650049|4.946939|5.941188|4.839864|6.880145|3.260747|2.872726|2.722220|3.164033|3.759186|388.023441| |7.429687|14.004564|8.262034|7.681424|6.814239|4.091199|5.566659|5.133960|7.798698|3.149648|2.749860|2.494069|2.741660|3.129333|76.736051|36.858105| |6.065010|7.535610|5.103869|4.864440|4.976023|3.113846|4.244362|3.747940|6.092144|2.549081|2.282913|2.096759|2.272737|2.529237|48.121875|12.969007|36.858105| |6.265438|6.357271|4.351908|3.946475|4.210542|2.742410|3.840191|3.414174|5.806885|2.375034|2.126975|1.937040|2.056894|2.265556|34.522507|8.036016|15.919563|73.516695| |4.265525|5.164471|4.073426|4.224159|4.578397|2.827696|3.725429|3.124283|5.046408|2.270791|2.080008|1.956821|2.150063|2.369983|44.833645|7.882975|13.719217|15.169600|53.358707| |3.472754|3.867300|3.170887|3.243749|3.698696|2.351832|3.117986|2.570056|4.256399|1.956633|1.813578|1.717542|1.866873|2.029292|31.171828|5.122256|7.802990|12.295552|18.977710|36.858105| |2.855905|3.182064|2.747762|2.884602|3.406489|2.169777|2.834856|2.278285|3.764124|1.797755|1.688018|1.622084|1.773424|1.912311|27.257543|4.042748|5.289565|8.387357|11.253052|14.786045|53.358707| |2.500241|2.678997|2.334199|2.406080|2.893970|1.883451|2.486249|1.989438|3.341686|1.605419|1.514478|1.455943|1.573522|1.682915|21.508746|3.234235|4.116423|7.089773|7.438679|8.699497|18.830799|36.858105| |2.583998|2.680075|2.292670|2.304580|2.753160|1.814345|2.432423|1.969094|3.353755|1.580486|1.483182|1.412643|1.509609|1.614663|20.084921|3.169175|4.140965|7.685446|6.874823|7.878597|11.256904|14.269342|36.858105| |3.330549|3.409696|2.770261|2.714220|3.138949|2.060731|2.800111|2.327431|3.974734|1.796309|1.662197|1.559840|1.661549|1.793456|23.926779|4.122898|6.038739|12.391808|9.425799|10.968905|10.110614|7.551195|10.980892|388.023441| |2.114155|2.265175|2.034895|2.121312|2.615959|1.713852|2.245481|1.765705|2.966285|1.465103|1.396441|1.357241|1.469165|1.558533|18.517664|2.665561|3.182227|5.427715|5.476679|5.351886|10.647010|12.721486|7.481454|33.866583|36.858105| |2.028867|2.220765|2.035796|2.170529|2.712238|1.761055|2.273007|1.763495|2.930421|1.478676|1.407747|1.382268|1.511272|1.613957|19.171387|2.630302|3.038188|5.035304|5.251801|4.751693|9.317945|7.796560|5.243627|28.020645|12.698201|53.358707| |2.200945|2.455946|2.251314|2.433054|3.021809|1.935733|2.478729|1.924018|3.166816|1.595973|1.516372|1.489978|1.642426|1.762386|22.112948|2.970416|3.428302|5.508461|6.185773|5.497328|11.563511|7.798484|5.108575|29.402419|9.485579|25.607701|0.500000| |1.789895|1.950406|1.823450|1.950525|2.485640|1.628199|2.093718|1.604231|2.670649|1.375035|1.323071|1.310612|1.433426|1.514924|16.754534|2.258644|2.518711|4.182425|4.187745|3.556467|6.355099|5.054805|3.839265|21.694613|7.629399|17.294036|0.257435|36.858105| |1.705948|1.879691|1.790209|1.944410|2.518964|1.645305|2.090924|1.581209|2.614562|1.374332|1.322838|1.323640|1.458596|1.547764|16.624490|2.167716|2.349686|3.858747|3.842223|3.104344|5.272381|3.890888|3.112874|18.760406|4.961977|10.417735|0.197586|12.502233|36.858105| |1.661757|1.826535|1.740978|1.887819|2.450109|1.604558|2.041307|1.541928|2.553007|1.345083|1.284219|1.284431|1.411293|1.512015|16.072576|2.099624|2.274525|3.772386|3.654364|2.944662|4.828736|3.609921|3.002785|18.277500|4.349790|8.781227|0.163011|7.499245|12.428350|36.858105| |1.854126|2.049342|1.927026|2.088319|2.667843|1.732188|2.208675|1.684626|2.782458|1.442843|1.362197|1.351969|1.485350|1.610269|18.209919|2.397097|2.649814|4.388385|4.328044|3.557137|5.877599|4.363360|3.592004|21.811869|4.964751|10.417809|0.198668|6.526028|7.624707|12.429985|36.858105| |1.959924|2.137915|1.965384|2.092362|2.624551|1.710049|2.209096|1.710089|2.846434|1.441995|1.361145|1.336939|1.457499|1.571658|18.342163|2.516147|2.891951|4.870324|4.826172|4.274335|7.478926|6.223800|4.853376|26.775333|7.629998|17.256074|0.258909|7.683616|6.530883|7.512852|12.509882|36.858105| |1.565208|1.728805|1.677024|1.835597|2.424991|1.592131|2.008137|1.497550|2.470519|1.328668|1.270527|1.282857|1.415993|1.520147|15.383562|1.965963|2.074776|3.426155|3.258854|2.529344|3.982543|2.879324|2.475190|15.742391|3.268128|5.954281|0.119320|4.892060|7.525473|12.469223|7.520921|4.894773|36.858105| |17.577139|8.961083|6.565224|4.603924|4.933628|3.552138|5.713773|6.000994|11.988766|3.549518|2.950883|2.488853|2.511859|2.792668|29.299444|5.907143|4.980320|9.415857|4.987532|3.077039|3.499527|2.289155|2.381643|21.500431|1.954873|2.571592|0.056495|1.673238|1.605951|1.581421|1.765659|1.852959|1.499310|0.500000| |17.706741|8.864148|5.486165|4.231447|4.475058|3.081478|4.656026|4.536826|8.363142|2.892816|2.549751|2.216216|2.280265|2.478431|30.474910|6.994911|6.922292|14.627416|6.377415|3.901949|4.240376|2.748997|2.906461|27.790065|2.278788|2.922437|0.064404|1.873861|1.762148|1.714649|1.924523|2.068972|1.596690|0.300992|0.500000| |17.611079|8.953243|6.756597|4.665272|5.009504|3.629106|5.890523|6.299120|12.874516|3.649790|3.204137|2.654667|2.669033|2.847573|29.169535|5.804212|4.834735|8.682841|5.018124|3.076541|3.539554|2.298868|2.359685|20.957597|1.976424|2.576666|0.056843|1.693032|1.614408|1.561223|1.719417|1.812633|1.475371|0.304669|0.298873|0.500000| |3.058928|3.351261|4.369223|4.171762|6.564835|7.007971|12.403132|5.974098|9.668555|17.600107|8.780619|7.017142|5.907492|6.954709|21.647222|2.881525|2.368010|3.935740|2.900522|1.851552|2.329599|1.535321|1.510557|12.122281|1.407964|1.946571|0.042771|1.332912|1.340884|1.321304|1.416592|1.405564|1.313937|0.088715|0.072525|0.087302|0.500000| |3.713827|3.848788|4.955494|4.198763|5.917421|5.772330|12.677535|7.903513|15.661288|17.737011|8.863426|5.497789|4.585368|4.877753|21.830525|3.117728|2.553245|4.310236|3.048276|1.940527|2.407436|1.589561|1.580268|12.871517|1.443523|1.967162|0.043143|1.339235|1.329809|1.303848|1.402680|1.412086|1.281112|0.108980|0.085359|0.110925|0.304001|0.500000| |2.723221|2.834440|3.455205|3.218025|4.795510|4.549274|7.642734|4.542492|8.248885|8.969026|17.547505|8.908729|5.459336|4.647186|17.791679|2.449323|2.078306|3.494939|2.579081|1.673078|2.122647|1.412670|1.391538|11.053578|1.306108|1.785178|0.039010|1.235765|1.232968|1.199565|1.269476|1.271369|1.186334|0.076367|0.065849|0.082292|0.204074|0.226751|0.500000| |3.180090|3.418953|4.333636|4.025258|5.989515|5.744452|9.802072|5.759447|9.769818|8.889767|17.534389|8.786674|6.602880|5.355380|21.398913|2.920903|2.415892|3.985211|2.991705|1.907769|2.411521|1.583785|1.549158|12.382337|1.456682|1.987737|0.043793|1.371686|1.363592|1.314311|1.393052|1.400391|1.292812|0.085764|0.075823|0.098143|0.173958|0.206401|0.304114|0.500000| |2.325552|2.537645|3.124151|3.187553|5.199204|5.036427|6.902361|3.760366|6.178260|6.723793|8.890114|17.504396|8.893227|6.716681|17.804413|2.299432|1.953989|3.233225|2.485124|1.614608|2.079434|1.379298|1.341930|10.502878|1.289104|1.791842|0.039268|1.249581|1.266550|1.237259|1.302133|1.282588|1.241389|0.064934|0.057266|0.067328|0.206322|0.143515|0.218118|0.173513|0.500000| |2.301205|2.496895|3.025107|3.072389|4.885003|4.490317|6.166533|3.566016|5.920939|5.461662|8.884548|17.548519|8.893016|5.444537|17.466438|2.272207|1.943400|3.206598|2.491724|1.622002|2.098447|1.391091|1.348484|10.509070|1.304545|1.804188|0.039572|1.264919|1.276034|1.232767|1.288942|1.276533|1.231029|0.062767|0.057051|0.068006|0.141861|0.124146|0.216043|0.214133|0.304265|0.500000| |2.263216|2.576990|3.175632|3.533595|6.219105|5.560598|6.230216|3.479314|5.392570|4.659274|5.459602|8.909447|17.560961|8.928727|20.149733|2.439659|2.065688|3.335278|2.701087|1.743877|2.279853|1.494393|1.428299|11.048224|1.408573|1.983992|0.043886|1.394015|1.428949|1.383669|1.445213|1.407988|1.399294|0.061400|0.056505|0.064581|0.131379|0.102955|0.124017|0.137476|0.217592|0.216878|0.500000| |2.695470|3.129026|3.986221|4.437338|7.823579|7.116981|7.936435|4.385983|6.574295|5.406864|6.626855|8.805161|17.523832|8.827424|24.059960|2.914269|2.405506|3.833928|3.116453|1.976355|2.559395|1.657902|1.582529|12.385348|1.547145|2.160411|0.048126|1.506768|1.527183|1.463686|1.537359|1.515268|1.460866|0.071404|0.066382|0.078303|0.135266|0.118158|0.137640|0.191760|0.173681|0.214441|0.304498|0.500000| |2.645807|3.190538|4.118059|5.120422|10.917384|9.193972|7.820632|4.232916|6.092895|4.868589|4.563206|5.476919|8.816765|17.645666|27.676775|3.085454|2.520375|3.973580|3.283456|2.068506|2.682288|1.726740|1.641136|12.840865|1.608931|2.293804|0.051338|1.587276|1.638319|1.601640|1.701534|1.642769|1.623615|0.071965|0.065437|0.072828|0.141436|0.107395|0.102670|0.117269|0.143195|0.123889|0.225891|0.205172|0.500000| |2.669377|3.095456|4.024733|4.472742|8.328165|8.904194|9.361599|4.614956|6.841032|6.852495|5.850394|6.999686|8.776580|17.546369|23.580697|2.852397|2.344317|3.793279|2.973154|1.891911|2.423795|1.582527|1.529151|12.068094|1.467211|2.066580|0.045749|1.425227|1.457512|1.436145|1.531219|1.492234|1.448338|0.074871|0.065079|0.074163|0.235457|0.140322|0.130833|0.133741|0.206974|0.141867|0.204686|0.173472|0.303240|0.500000| |3.890955|4.902894|4.130430|4.544106|4.981682|2.998421|3.846141|3.151987|4.987169|2.323388|2.147326|2.045749|2.286894|2.521318|52.111519|7.393648|9.153048|10.845161|26.010891|9.551262|10.632453|5.032548|4.367091|37.471264|3.963120|5.408951|0.135025|3.230170|3.019344|2.817902|3.290746|3.559618|2.535093|0.093310|0.113367|0.096210|0.060566|0.062724|0.053881|0.063187|0.052750|0.053198|0.058797|0.068296|0.072245|0.063699|0.500000| |2.332850|2.374791|2.055120|2.051957|2.480127|1.653693|2.228133|1.795525|3.086147|1.464060|1.378320|1.313646|1.394355|1.484185|17.400685|2.728967|3.438164|6.512861|5.391849|5.489287|7.775319|8.769736|17.791520|54.889289|6.464640|6.240258|0.118489|3.546548|2.879203|2.813871|3.293214|4.412344|2.327174|0.060485|0.072652|0.059713|0.038986|0.040801|0.036136|0.039885|0.034791|0.034941|0.036765|0.040448|0.041803|0.039262|0.097461|0.500000| |2.067335|2.210120|1.997478|2.080873|2.577864|1.694337|2.220382|1.741778|2.929479|1.452236|1.396126|1.358947|1.470915|1.545612|17.964621|2.576432|3.025145|5.123972|5.157622|4.820271|9.212589|8.937746|6.024073|30.060164|17.607516|12.433762|0.219509|7.460089|4.778546|3.924865|4.168081|5.617397|3.042462|0.052745|0.061693|0.054336|0.038617|0.039692|0.036278|0.040656|0.035720|0.036460|0.039214|0.043281|0.044273|0.040246|0.106001|0.148775|0.500000| |1.949080|2.057211|1.854681|1.917174|2.379696|1.575004|2.074917|1.628671|2.756829|1.365783|1.302265|1.265408|1.360755|1.440624|16.381496|2.376275|2.809599|4.911133|4.626973|4.387642|7.732726|8.819855|6.918493|30.637010|17.640116|12.293408|0.183069|6.666010|4.495631|4.152828|4.647427|7.191029|3.121791|0.050567|0.058413|0.050732|0.036580|0.037512|0.034011|0.037607|0.033526|0.033839|0.036326|0.039605|0.041198|0.037911|0.091602|0.192334|0.300670|0.500000| |1.808130|1.968611|1.842327|1.967963|2.508106|1.644839|2.116853|1.622534|2.702356|1.390327|1.346746|1.334081|1.459693|1.530179|16.825821|2.272498|2.522664|4.168807|4.201596|3.532623|6.308897|4.888368|3.711984|21.306154|7.180474|12.395604|0.223519|17.624955|8.786560|5.468601|4.899335|5.614177|4.060866|0.046616|0.052567|0.047871|0.037262|0.037584|0.034917|0.038990|0.035175|0.035903|0.039411|0.042899|0.044452|0.039789|0.091078|0.094709|0.234529|0.166777|0.500000| |1.670468|1.795962|1.676936|1.775050|2.266461|1.499165|1.941356|1.488720|2.496719|1.284649|1.236992|1.223267|1.328136|1.399531|14.990886|2.053008|2.292530|3.878471|3.722351|3.177849|5.462205|4.598739|3.685920|20.408958|7.016651|12.432295|0.181327|17.598629|8.771867|6.725506|5.749236|7.021196|4.480471|0.043627|0.048732|0.043980|0.034650|0.034894|0.032252|0.035559|0.032498|0.032857|0.035916|0.038633|0.040551|0.036774|0.078099|0.098615|0.187470|0.199652|0.301250|0.500000| |1.802082|2.014267|1.932234|2.128803|2.767219|1.788913|2.251097|1.695091|2.779421|1.469252|1.415180|1.421681|1.581280|1.681999|18.437725|2.342978|2.507747|4.041361|4.147588|3.261719|5.539899|3.839988|3.048855|18.997040|4.608355|9.338567|0.207676|8.881485|17.506426|8.815120|6.805026|5.688457|6.950334|0.046914|0.051374|0.047379|0.039774|0.039274|0.036444|0.040576|0.037668|0.038013|0.043054|0.046179|0.049798|0.043711|0.093063|0.076759|0.125758|0.111244|0.215686|0.173149|0.500000| |1.571021|1.719184|1.649771|1.785440|2.334960|1.538655|1.957965|1.472650|2.443918|1.296733|1.256495|1.262413|1.387476|1.460438|14.959840|1.954616|2.094419|3.462446|3.356695|2.676641|4.415773|3.286062|2.713687|16.536055|4.131065|7.605877|0.144559|8.976625|17.568013|8.785129|5.521603|4.897605|6.809768|0.041178|0.044929|0.041605|0.035180|0.034837|0.032628|0.035965|0.033593|0.033965|0.037943|0.040344|0.042915|0.038257|0.073055|0.070975|0.115207|0.107642|0.212761|0.214214|0.303860|0.500000| |1.557980|1.690946|1.606929|1.722815|2.235394|1.478061|1.895142|1.434392|2.392397|1.257585|1.202601|1.200038|1.308738|1.395721|14.451274|1.922898|2.092118|3.524086|3.311566|2.697020|4.359481|3.393776|2.897840|17.344902|4.169296|7.792197|0.136204|6.843179|8.916317|17.493975|8.918162|6.863524|8.917477|0.041333|0.044822|0.040762|0.034332|0.034001|0.031349|0.034170|0.032177|0.032071|0.035654|0.037622|0.040835|0.036986|0.069785|0.077420|0.104439|0.116990|0.139818|0.200379|0.174036|0.215360|0.500000| |1.993869|2.244830|2.121603|2.337303|2.983719|1.910788|2.411399|1.834476|2.999570|1.560222|1.467264|1.459522|1.618012|1.769040|20.862305|2.665949|2.915852|4.717253|4.835519|3.848834|6.319803|4.332199|3.534416|22.474721|4.615233|9.350216|0.209324|5.693019|6.803330|8.807052|17.508276|8.877811|6.935802|0.052588|0.057098|0.051134|0.042561|0.041920|0.037764|0.041663|0.038977|0.038490|0.043673|0.046574|0.052293|0.046514|0.104616|0.087618|0.110350|0.114489|0.127936|0.132278|0.198674|0.139086|0.173967|0.500000| |1.782965|1.956868|1.844434|1.987419|2.548186|1.666085|2.131862|1.623758|2.691929|1.399876|1.316007|1.305522|1.427784|1.553867|17.069038|2.263985|2.488649|4.179621|3.950045|3.209250|5.049449|3.796158|3.302529|20.466450|4.132550|7.603662|0.145267|4.892273|5.521837|8.787746|17.567751|8.980829|6.807574|0.047640|0.051333|0.045810|0.038375|0.037893|0.034175|0.037193|0.035111|0.034514|0.038632|0.040767|0.045532|0.041358|0.081996|0.085975|0.097105|0.112307|0.107803|0.128821|0.139155|0.123253|0.215391|0.303890|0.500000| |1.805495|1.938638|1.785055|1.879838|2.370335|1.562306|2.032098|1.571907|2.638015|1.338630|1.267794|1.244516|1.347192|1.443956|16.095604|2.240104|2.562270|4.405819|4.147736|3.656710|6.123617|5.420104|4.548708|24.443344|7.008759|12.440652|0.181998|7.052696|5.784075|6.771046|8.785934|17.598709|4.497109|0.047662|0.053069|0.046644|0.036287|0.036543|0.033064|0.036198|0.033246|0.033117|0.036226|0.038816|0.041745|0.038254|0.083889|0.122599|0.146868|0.217995|0.144404|0.213083|0.132705|0.129613|0.202311|0.173192|0.213968|0.500000| |2.137025|2.330070|2.109916|2.231688|2.760404|1.793160|2.328318|1.819846|3.030900|1.512146|1.415473|1.380724|1.501849|1.630990|19.812532|2.774765|3.274361|5.562342|5.502967|5.047860|8.587934|7.189084|5.802155|32.051708|7.203189|12.383693|0.224773|5.617291|4.896298|5.470455|8.773628|17.651290|4.057052|0.056183|0.063180|0.054260|0.040905|0.041289|0.036701|0.040433|0.036798|0.036460|0.040069|0.043288|0.047159|0.043092|0.109159|0.141687|0.144429|0.186361|0.126871|0.144229|0.127577|0.107817|0.140179|0.214689|0.212786|0.301101|0.500000| 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