Version2.1 2021-01-10T10:25:03Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 24-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1cccc2=C(C[NH+]=c12)C(=O)CS[C@@H]3NN[C@H]([NH+]3CC(=O)[O-])c4ccc(cc4)OC C39708418 RHF 6-31G(d) (6D,7F) CCc1cccc2=C(C[NH+]=c12)C(=O)CS[C@@H]3NN[C@H]([NH+]3CC(=O)[O-])c4ccc(cc4)OC C01[X(C23H27N4O4S1)] 171 C1 538 CCc1cccc2=C(C[NH+]=c12)C(=O)CS[C@@H]1NN[C@H]([NH+]1CC(=O)[O-])c1ccc(cc1)OC CCc1cccc2=C(C[NH+]=c12)C(=O)CS[C@@H]1NN[C@H]([NH+]1CC(=O)[O-])c1ccc(cc1)OC CCC1=CC=CC2=C(C[NH+]=C12)C(=O)CS[C@@H]3NN[C@H]([NH+]3CC([O-])=O)c4ccc(OC)cc4 InChIKey=GPJDMEUIGUIMFQ-DHIUTWEWSA-O InChI=1S/C23H26N4O4S/c1-3-14-5-4-6-17-18(11-24-21(14)17)19(28)13-32-23-26-25-22(27(23)12-20(29)30)15-7-9-16(31-2)10-8-15/h4-10,22-23,25-26H,3,11-13H2,1-2H3,(H,29,30)/p+1/t22-,23-/m1/s1 InChI=1/C23H26N4O4S/c1-3-14-5-4-6-17-18(11-24-21(14)17)19(28)13-32-23-26-25-22(27(23)12-20(29)30)15-7-9-16(31-2)10-8-15/h4-10,22-23,25-26H,3,11-13H2,1-2H3,(H,29,30)/p+1/t22-,23-/m1/s1/fC23H27N4O4S/h24,27H/q+1 CCc1cccc2=C(C[NH+]=c12)C(=O)CS[C@@H]3NN[C@H]([NH+]3CC(=O)[O-])c4ccc(cc4)OC C01[X(C23H27N4O4S1)] 171 C01 538 CCc1cccc2=C(C[NH+]=c12)C(=O)CS[C@@H]1NN[C@H]([NH+]1CC(=O)[O-])c1ccc(cc1)OC CC[C]1=[CH][CH]=[CH][C]2[C]1[NH]CC=2C(=O)CS[C@@H]1NN[C@H]([NH]1C[C]([O])=O)[C]1[CH][CH][C]([CH][CH]1)OC CCC1=CC=CC2=C(CN[C]12)C(=O)CS[C@@H]3NN[C@@H]([C]4[CH][CH][C]([CH][CH]4)OC)[NH]3CC([O])=O InChIKey=FRGNHKMGOJULHH-DHIUTWEWSA-N InChI=1S/C23H27N4O4S/c1-3-14-5-4-6-17-18(11-24-21(14)17)19(28)13-32-23-26-25-22(27(23)12-20(29)30)15-7-9-16(31-2)10-8-15/h4-10,22-27H,3,11-13H2,1-2H3/t22-,23-/m1/s1 InChI=1/C23H27N4O4S/c1-3-14-5-4-6-17-18(11-24-21(14)17)19(28)13-32-23-26-25-22(27(23)12-20(29)30)15-7-9-16(31-2)10-8-15/h4-10,22-27H,3,11-13H2,1-2H3/t22-,23-/m1/s1 3361.6432237553 -1801.1529111 1-A 22284.3687 120 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0.8004 0.3019 0.8277 0.1274 0.8057 0.8377 0.7852 0.5755 0.8164 0.4183 0.8325 0.7679 0.8525 0.4345 0.6215 0.4461 0.7293 0.5890 0.7706 0.5847 0.8416 0.8323 0.8001 0.3538 0.8571 0.8286 0.8560 0.6619 0.8476 0.6850 0.3541 0.2441 0.1035 0.4511 0.7991 0.8052 0.6952 0.5989 0.7405 0.5655 0.5840 0.5604 0.5431 0.8535 0.8197 0.8274 0.8206 0.7153 0.6006 0.5941 0.7424 0.7985 0.8353 0.8472 0.4752 0.5115 0.2651 0.7277 0.4561 0.4229 0.6235 0.6838 0.8144 0.5389 0.8571 0.2743 0.8175 0.3113 0.2606 0.8407 0.6554 0.4131 0.7398 0.7934 0.7428 0.7581 0.4549 0.3982 0.7379 0.4775 0.4037 0.6777 0.5814 0.3916 0.6206 0.5067 0.4054 0.3292 0.8530 0.3414 0.8291 0.4402 0.3864 0.4297 0.4061 0.8531 0.7465 0.7004 0.8401 0.7311 0.7970 0.8543 0.3532 0.6210 0.8357 0.3103 0.6160 0.8021 0.7971 0.3141 0.6385 0.5434 0.8571 0.3209 0.4381 0.3066 0.0386 0.0478 0.4554 0.8369 0.0890 0.3474 0.8524 0.7255 0.7686 0.1577 0.2694 0.8069 0.6509 0.5850 0.7721 0.6029 0.7722 0.3479 0.4485 0.4153 0.3232 0.3166 0.4037 0.4655 0.4619 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 6 6 6 6 6 6 6 6 6 7 1 6 6 8 6 16 6 1 7 7 6 1 7 1 6 6 8 8 6 6 6 6 6 6 8 6 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 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 15.99491 12.00000 31.97207 12.00000 1.00783 14.00307 14.00307 12.00000 1.00783 14.00307 1.00783 12.00000 12.00000 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783 6127.0385 35184.7942 39731.5889 0.99997 -0.00711 0.00314 0.00708 0.99995 0.00732 -0.00319 -0.00730 0.99997 1 0.01414 0.00246 0.00218 0.29455 0.05129 0.04542 20.16 30.09 35.90 54.46 64.47 79.73 98.10 115.54 119.62 133.30 142.51 172.05 187.74 217.69 225.41 241.31 262.68 279.72 287.37 298.82 322.61 367.10 383.65 386.18 407.07 416.40 444.62 481.79 505.47 509.43 516.09 585.92 645.99 651.31 662.91 673.57 694.28 738.67 750.08 779.01 785.88 809.00 854.27 871.70 887.26 903.28 922.51 949.84 984.41 997.52 999.83 1012.33 1040.19 1078.12 1087.67 1159.76 1211.55 1212.57 1223.64 1233.71 1263.21 1296.39 1305.28 1310.98 1341.07 1346.54 1377.66 1393.47 1411.78 1454.86 1475.59 1487.15 1498.67 1505.92 1545.79 1568.52 1571.04 1575.22 1590.66 1592.30 1616.00 1621.09 1631.23 1643.22 1643.62 1683.31 1712.12 1715.31 1735.90 1753.85 1757.62 1762.60 1811.97 1840.45 1859.65 1861.64 1869.35 1872.43 1907.65 1918.45 1944.53 1951.51 1952.32 1971.46 2004.16 2043.43 2050.93 2053.15 2073.48 2080.84 2090.49 2104.26 2146.11 2155.36 2164.61 2186.26 2212.24 2214.37 2227.41 2247.98 2257.86 2262.21 2274.73 2282.34 2308.51 2329.10 2345.77 2347.94 2352.19 2353.20 2360.46 2376.15 2377.80 2380.45 2382.62 2443.29 2449.12 2530.62 2546.89 2595.56 2602.95 2664.07 2798.10 2891.29 4614.58 4620.64 4623.28 4634.37 4648.24 4692.97 4709.91 4723.87 4734.16 4741.14 4741.59 4756.71 4792.93 4818.19 4821.05 4832.57 4850.60 4861.98 4882.82 4884.06 4899.49 4902.26 4917.16 4972.92 5258.00 5511.73 5552.17 0.522098 0.549956 0.550900 0.460559 -1800.630813 -1800.602956 -1800.602011 -1800.692352 3.030052D-04 MUNgauss RevisionA2.0 retrievium 10-Jan-2021 DUDE CCc1cccc2=C(C[NH+]=c12)C(=O)CS[C@@H]3NN[C@H]([NH+]3CC(=O)[O-])c4ccc(cc4)OC C39708418 RHF 6-31G(d) (6D,10F) C1 455.175302 |X|Y|Z| 136.416349 55.371950 24.675675 57.122661 23 6 7 16 18 4 1 |36.858105| |12.410276|36.858105| |7.471758|12.590274|36.858105| |5.460479|7.529266|14.109026|36.858105| |4.001160|4.891131|7.658819|13.086462|36.858105| |3.636038|4.286745|6.499586|7.805930|14.251408|36.858105| |4.103647|4.852749|7.510219|6.865533|7.995131|13.155137|36.858105| |3.529448|3.949116|5.252608|4.654642|5.150259|7.394940|14.103677|36.858105| |3.894540|4.260217|5.176812|4.165349|4.117570|5.066447|8.202357|12.777201|36.858105| |5.390132|6.251959|7.729935|5.302721|4.693047|5.297523|8.459079|8.340212|13.195517|53.358707| |6.011517|6.681959|6.811341|4.659051|3.964022|4.226667|5.911951|5.866971|8.872575|25.974301|0.500000| |5.739355|7.409373|13.283734|8.134834|6.858031|7.597860|13.032668|8.420135|8.363513|19.940392|0.257967|36.858105| |2.779595|3.022114|3.787147|3.610516|4.193540|5.897535|7.502523|12.627902|7.150489|6.905600|0.113088|5.103644|36.858105| |2.560696|2.802340|3.531745|3.565429|4.400731|6.343129|6.626697|8.164432|5.134637|5.637165|0.094920|4.452664|16.036909|73.516695| |2.451375|2.585531|3.051700|2.860074|3.159493|4.025517|4.898110|7.251497|6.064194|5.746205|0.100145|3.926355|12.496033|14.338741|36.858105| |2.253863|2.422750|2.770347|2.566651|2.751509|3.348804|4.023265|5.486570|5.328633|5.247028|0.095120|3.473988|6.985319|9.723845|10.411295|388.023441| |1.978233|2.066536|2.278575|2.112198|2.218717|2.593897|3.016982|3.822776|3.975942|4.185795|0.079506|2.745933|4.494628|6.750495|6.566295|75.199051|36.858105| |1.884799|1.982318|2.158202|1.999484|2.080644|2.394826|2.759595|3.393577|3.584684|3.903597|0.075330|2.562079|3.822782|5.902187|5.018146|58.821365|17.670390|0.500000| |1.774813|1.838404|2.025728|1.914925|2.035069|2.363381|2.651611|3.246247|3.225916|3.531310|0.067175|2.388021|3.933727|6.265148|5.592298|48.909635|13.361158|0.260459|53.358707| |1.664254|1.702931|1.840358|1.730720|1.810076|2.059882|2.304135|2.751550|2.830916|3.185458|0.061905|2.136131|3.152940|5.048721|4.183115|34.809899|8.791668|0.217987|18.410946|53.358707| |1.786433|1.803302|1.932481|1.791941|1.850108|2.098537|2.390699|2.875192|3.074966|3.437562|0.067503|2.256844|3.185834|4.961109|4.236972|33.245403|7.886420|0.186170|11.193104|17.923041|36.858105| |1.806296|1.803699|1.939138|1.804672|1.869985|2.123793|2.408614|2.887952|3.050542|3.420927|0.066893|2.261972|3.220811|5.030955|4.298223|30.389331|6.288559|0.142923|9.457368|12.216646|17.537986|0.500000| |2.050042|2.092192|2.264997|2.066775|2.128393|2.452207|2.890410|3.626608|4.025728|4.267467|0.082944|2.722964|3.988068|5.902559|5.591119|47.688739|12.550830|0.252726|11.209601|11.333811|12.354683|0.253938|53.358707| |2.208667|2.231880|2.438453|2.215271|2.287167|2.661246|3.182121|4.081207|4.555990|4.694227|0.090148|2.974839|4.498598|6.467576|6.584324|46.748283|9.114234|0.181522|9.396027|8.768899|9.134482|0.252242|25.318093|0.500000| |2.195684|2.238519|2.370482|2.115093|2.123757|2.407444|2.889760|3.567582|4.290199|4.634937|0.093133|2.847046|3.614235|5.327343|4.564833|39.692561|7.475255|0.198802|7.052410|7.312206|7.165401|0.162897|17.320706|0.274076|36.858105| |2.656917|2.683010|2.849735|2.469467|2.443038|2.786575|3.495659|4.430077|5.969944|6.130764|0.123939|3.541268|4.164698|5.892768|5.031961|38.499590|5.661392|0.141492|5.698952|5.492902|5.063838|0.132423|10.644648|0.244911|12.287016|36.858105| |2.722927|2.705399|2.941105|2.574714|2.588943|3.003424|3.784666|4.934423|6.353746|6.263592|0.121472|3.705872|4.770215|6.585367|6.037854|38.711066|5.524907|0.127928|5.911988|5.535507|5.148163|0.146840|10.322069|0.303081|8.129606|15.204885|73.516695| |2.919497|2.967770|3.066647|2.589124|2.492075|2.787682|3.531419|4.299211|6.191528|6.873025|0.147975|3.787324|3.779833|5.449995|4.181266|32.551309|4.448849|0.118454|4.646672|4.488199|3.912865|0.102212|7.346185|0.157627|8.060678|15.741003|15.185076|73.516695| |1.672383|1.676134|1.761426|1.628523|1.657943|1.845819|2.087652|2.442451|2.660582|3.082871|0.061859|2.019983|2.604537|4.117103|3.241293|25.561134|5.276091|0.143351|7.115101|10.530137|12.717232|0.249109|10.015592|0.165002|6.318886|4.437051|7.530615|6.468333|36.858105| |1.658656|1.636234|1.701495|1.569980|1.585777|1.748449|1.971158|2.272162|2.493380|2.948586|0.059809|1.932337|2.375189|3.770427|2.875584|21.453659|4.008863|0.106707|5.396156|7.036353|7.613666|0.204600|7.448525|0.139590|5.176995|4.093009|7.138894|6.102608|13.641976|36.858105| |1.543558|1.518120|1.558962|1.440458|1.444159|1.572895|1.758178|1.989277|2.184280|2.648128|0.054330|1.744439|2.048181|3.290594|2.401240|18.034921|3.211047|0.088500|4.300423|5.381502|5.048478|0.133977|5.525888|0.104403|4.124613|3.396185|5.781389|5.348881|7.900678|13.867075|36.858105| |1.455172|1.444883|1.479558|1.370665|1.373240|1.490165|1.657524|1.864593|2.039358|2.489359|0.051165|1.646558|1.918712|3.105037|2.225877|17.250402|3.065833|0.087926|4.091730|5.128707|4.440154|0.111334|5.010032|0.091732|3.817575|3.075495|5.090922|4.976029|6.821533|7.937709|13.639139|36.858105| |1.463135|1.470788|1.516954|1.407751|1.417903|1.547432|1.723049|1.952879|2.125159|2.565679|0.052374|1.697931|2.031089|3.286316|2.379809|19.152382|3.528294|0.105154|4.700871|6.099041|5.017200|0.117016|5.600681|0.097798|4.206781|3.209304|5.220253|5.162079|7.890633|6.877332|7.911127|13.700241|36.858105| |1.561819|1.579078|1.649184|1.529555|1.552939|1.715790|1.924687|2.221920|2.410586|2.840081|0.057307|1.872146|2.352617|3.769551|2.844941|23.453700|4.696271|0.140809|6.274377|8.954402|7.553427|0.156559|7.666750|0.125348|5.359805|3.787469|6.172559|5.840800|13.737288|7.963425|6.885418|7.933345|13.749553|36.858105| |1.360871|1.346538|1.367166|1.269643|1.266006|1.361386|1.503115|1.667843|1.818795|2.259453|0.046728|1.503910|1.700706|2.775710|1.933082|14.831086|2.533490|0.072738|3.384314|4.071670|3.389719|0.087620|4.007462|0.075169|3.091957|2.612052|4.341542|4.347117|4.620283|5.322591|8.237658|14.287701|7.895013|5.216603|73.516695| |1.276997|1.271957|1.288548|1.200921|1.197058|1.281963|1.407112|1.550675|1.681179|2.104021|0.043535|1.408706|1.579916|2.597421|1.776293|13.807411|2.323884|0.067957|3.104508|3.672488|2.922947|0.074728|3.543159|0.066101|2.740151|2.327824|3.841725|3.941821|3.779768|3.987943|5.253435|8.004861|6.705680|4.509336|24.075084|36.858105| |17.578973|8.806961|5.477234|4.325755|3.314027|3.035248|3.370647|2.998931|3.339920|5.985245|0.140216|4.459922|2.433443|4.003662|2.194131|14.634800|1.837966|0.049073|2.250681|2.132012|1.682782|0.047098|2.604702|0.056738|2.067824|2.468366|4.424874|4.866168|1.595177|1.590332|1.494710|1.414823|1.417082|1.499340|2.368703|1.254233|0.500000| |17.574196|8.774912|6.755278|5.622837|4.152884|3.661004|3.927645|3.324185|3.495627|6.204893|0.132202|5.117616|2.680226|4.471038|2.351020|15.100956|1.870321|0.049265|2.314528|2.167427|1.701521|0.048137|2.627662|0.057953|2.032107|2.425759|4.497062|4.624243|1.588321|1.579581|1.469451|1.382058|1.386715|1.479817|2.301326|1.214337|0.301491|0.500000| |17.547489|8.698532|6.725095|4.855172|3.807791|3.653500|4.335128|3.875751|4.487871|8.590419|0.204027|6.111106|3.006108|4.808576|2.684357|17.335499|2.149216|0.056438|2.605455|2.447617|1.955242|0.055160|3.080991|0.068544|2.442542|3.039191|5.596935|5.967572|1.825375|1.818808|1.682385|1.572893|1.575703|1.688244|2.602112|1.363490|0.302162|0.302131|0.500000| |8.852148|17.584447|8.986370|7.220388|4.661581|3.892064|4.104090|3.358751|3.493186|6.398840|0.136053|5.570306|2.678641|4.523173|2.304217|15.503554|1.874525|0.050274|2.294188|2.130746|1.643380|0.045601|2.562268|0.055305|1.999481|2.339036|4.178855|4.552699|1.535341|1.498785|1.399420|1.339151|1.363850|1.456707|2.230710|1.191756|0.213153|0.211904|0.172410|0.500000| |8.805492|17.520517|8.907326|5.781280|4.182182|3.869187|4.548428|3.904932|4.446033|9.029372|0.216501|6.872257|2.988115|4.852950|2.601681|17.882825|2.147331|0.057786|2.567114|2.386610|1.860746|0.051203|2.963629|0.063941|2.375884|2.856936|4.982840|5.783496|1.739658|1.691684|1.573911|1.505888|1.538015|1.648995|2.494394|1.328642|0.213744|0.172696|0.207329|0.305739|0.500000| |5.245640|6.985187|9.120828|17.709654|8.799817|5.645139|4.950070|3.685993|3.403159|5.738894|0.108484|5.717588|3.006316|5.337928|2.463521|15.972990|1.888917|0.050040|2.352505|2.146432|1.629368|0.045573|2.524047|0.054819|1.901314|2.188902|4.027319|4.088386|1.495421|1.448694|1.339733|1.278891|1.309512|1.412102|2.119349|1.131600|0.120372|0.156890|0.122799|0.219676|0.147407|0.500000| |3.435656|4.050742|5.577739|8.767332|17.748272|9.083708|5.643863|4.107026|3.363397|5.052086|0.090203|4.950267|3.598608|6.945664|2.800152|17.510965|2.021498|0.052900|2.563105|2.288720|1.705301|0.047943|2.629264|0.057274|1.913366|2.160123|4.060236|3.892617|1.535063|1.470631|1.345581|1.283149|1.324026|1.444120|2.111553|1.126765|0.081496|0.101135|0.089887|0.112485|0.097527|0.217032|0.500000| |3.035678|3.454970|4.761528|5.555669|9.006213|17.805836|8.713550|6.531014|4.417562|5.843912|0.098057|5.477263|6.263039|13.889740|4.199831|24.282306|2.634092|0.067141|3.330942|2.866709|2.114145|0.059617|3.326752|0.073474|2.343391|2.649695|5.116212|4.614392|1.842800|1.735773|1.556069|1.475444|1.537872|1.712727|2.391550|1.267889|0.072253|0.085446|0.085330|0.089000|0.088579|0.123847|0.215135|0.500000| |3.711288|3.790917|4.367601|3.601315|3.557756|4.259335|6.173576|8.788699|17.550309|12.360773|0.208391|6.295863|6.321954|8.181877|6.166594|36.286659|4.141065|0.101118|4.590591|4.099711|3.396796|0.095527|6.123050|0.149436|4.807282|7.398118|15.971432|12.672167|2.919618|2.778105|2.399300|2.197066|2.262200|2.576337|3.459058|1.774283|0.089564|0.093654|0.122905|0.087202|0.108339|0.084078|0.082974|0.106694|0.500000| |3.419078|3.799874|4.386341|3.616291|3.569672|4.271054|6.198087|8.809853|17.591829|12.460096|0.209690|6.327846|6.294010|8.289861|5.877340|43.968923|4.470729|0.115051|4.700442|4.119957|3.267090|0.087239|6.028004|0.133237|4.951019|6.802978|11.266810|13.215383|2.837458|2.603767|2.283136|2.159878|2.284783|2.610364|3.405940|1.780117|0.084288|0.084662|0.106615|0.088879|0.114752|0.084423|0.083218|0.106909|0.304891|0.500000| |2.574427|2.647491|3.071901|2.816903|3.026189|3.757233|4.687867|6.838062|6.547168|6.056581|0.107074|3.968937|8.854259|10.778123|17.632444|56.018163|6.288799|0.132597|7.187224|5.764132|4.638822|0.135663|8.599243|0.235553|5.162991|6.133109|15.129311|8.522113|3.522437|3.191563|2.620680|2.376868|2.501000|2.989523|3.648549|1.859775|0.063975|0.068357|0.079985|0.064800|0.073990|0.067592|0.074135|0.105242|0.212188|0.168610|0.500000| |2.204711|2.307374|2.701716|2.600230|2.917225|3.661858|4.141934|5.498085|4.568570|4.717349|0.083949|3.336406|9.077729|13.834434|17.649634|55.742793|5.972955|0.127877|8.040798|5.819159|4.132074|0.119343|6.770565|0.157668|3.913970|4.079292|8.577107|6.110506|3.133010|2.780559|2.322786|2.153536|2.302366|2.751293|3.331488|1.724778|0.055192|0.059554|0.066323|0.057994|0.063886|0.063135|0.073614|0.110280|0.129814|0.122650|0.296241|0.500000| |1.812880|1.866137|2.073968|1.971929|2.115831|2.478224|2.765788|3.402914|3.296563|3.591385|0.067679|2.452457|4.265931|6.825194|6.345911|45.871033|9.425190|0.183254|25.716447|12.879813|7.314602|0.202318|9.873127|0.195948|4.661685|4.058039|7.956380|5.845631|4.689476|3.789082|3.006636|2.789047|3.091461|3.973444|4.150219|2.124792|0.046649|0.048591|0.054466|0.047447|0.052657|0.049300|0.054428|0.071970|0.097077|0.094943|0.167639|0.203758|0.500000| |1.549316|1.578718|1.702254|1.614718|1.693661|1.914594|2.107573|2.472247|2.506628|2.873897|0.055949|1.952395|2.833884|4.644579|3.645913|28.674852|6.166723|0.157790|12.881053|25.955557|9.160843|0.216778|8.089485|0.141035|4.248990|3.382581|6.164180|5.039075|6.673183|4.848359|3.814940|3.642450|4.251238|5.869542|5.213817|2.654131|0.040607|0.041440|0.046294|0.040548|0.044906|0.041106|0.044051|0.054698|0.073870|0.073270|0.102033|0.106865|0.224084|0.500000| |2.063212|2.072178|2.156724|1.931758|1.925364|2.148186|2.532510|3.026207|3.587564|4.070136|0.083422|2.530960|3.040808|4.601163|3.715417|30.386307|5.638288|0.154989|6.043699|6.801059|7.052455|0.162053|12.277223|0.208522|17.674454|8.778593|11.630286|11.936849|7.569254|6.533283|5.178440|4.683941|5.020305|6.247230|6.534904|3.156735|0.054595|0.053200|0.063692|0.051745|0.060977|0.048752|0.048565|0.058067|0.112144|0.110927|0.116577|0.091916|0.112499|0.113933|0.500000| |2.135597|2.217021|2.341445|2.093009|2.098289|2.368337|2.826877|3.448699|4.106966|4.518693|0.091080|2.793719|3.475564|5.194346|4.236795|40.795569|7.342118|0.230421|6.721483|6.805655|5.836237|0.130721|12.180680|0.190999|17.668278|8.684224|10.670139|13.040795|5.389908|4.334831|3.665854|3.594817|4.125915|5.170504|5.273072|2.714698|0.056127|0.054648|0.065133|0.055354|0.066101|0.052393|0.052610|0.064013|0.120329|0.137980|0.124875|0.101303|0.118693|0.110557|0.301116|0.500000| |1.726936|1.687392|1.759628|1.623162|1.641337|1.813211|2.047119|2.362820|2.588108|3.054527|0.061770|2.003139|2.469603|3.906704|2.998427|21.352169|3.864006|0.098967|5.238289|6.470733|7.052069|0.224858|7.263921|0.147764|4.905826|4.191988|7.737865|6.150754|8.867144|17.694976|9.003628|5.653081|4.952591|5.648882|7.649133|3.335225|0.045814|0.045879|0.052945|0.042785|0.048129|0.041530|0.042226|0.049987|0.081601|0.073623|0.094697|0.080796|0.106677|0.125274|0.163883|0.110830|0.500000| |1.514097|1.475513|1.505623|1.392233|1.390156|1.504255|1.674076|1.874656|2.056602|2.527682|0.052122|1.671421|1.913536|3.088823|2.208843|16.224082|2.786131|0.076072|3.738415|4.500822|4.105791|0.114167|4.703004|0.092034|3.539463|3.083012|5.333962|4.943756|5.618142|8.907713|17.750016|8.943319|5.649793|4.961235|13.528589|4.872349|0.040895|0.040158|0.045861|0.037847|0.042352|0.036113|0.036057|0.041241|0.062920|0.059023|0.067204|0.059467|0.074017|0.089794|0.120128|0.087640|0.215718|0.500000| |1.388860|1.403476|1.443422|1.343969|1.352574|1.469244|1.625798|1.827218|1.977099|2.410255|0.049274|1.604668|1.895609|3.092883|2.188216|17.808508|3.191199|0.097340|4.252781|5.318502|4.100388|0.096956|4.811367|0.084679|3.649014|2.854197|4.621188|4.702611|5.643256|4.958755|5.622577|8.861598|17.772311|8.964998|12.502429|7.421500|0.037490|0.036559|0.041277|0.036336|0.040857|0.034854|0.035200|0.040583|0.057679|0.059278|0.062967|0.058922|0.077364|0.104143|0.116098|0.103513|0.107593|0.124021|0.500000| |1.545307|1.579403|1.659348|1.545170|1.577227|1.748777|1.955751|2.263184|2.427744|2.847011|0.057061|1.886915|2.423187|3.902661|2.935157|25.287070|5.202279|0.167792|6.983405|9.956176|6.965911|0.141505|7.625887|0.121334|5.182648|3.651790|5.915209|5.688138|8.919417|5.652376|4.960427|5.655744|8.967209|17.740821|7.477835|3.911505|0.041116|0.040657|0.046143|0.040576|0.045893|0.039579|0.040788|0.048710|0.070832|0.073887|0.083492|0.079119|0.116800|0.175742|0.153463|0.148972|0.123986|0.107700|0.217992|0.500000| |1.226444|1.226587|1.249351|1.170549|1.173218|1.258788|1.374732|1.515488|1.626089|2.027876|0.041698|1.366008|1.558794|2.577113|1.757306|13.705234|2.322137|0.068171|3.160672|3.772457|2.916425|0.074290|3.473182|0.064450|2.616347|2.210670|3.680337|3.715676|3.729340|3.796653|4.761702|7.030002|6.703476|4.570500|16.425099|17.579453|0.033367|0.032495|0.036267|0.031994|0.035495|0.030640|0.030760|0.034752|0.047459|0.047806|0.050710|0.047791|0.059847|0.077002|0.082076|0.072404|0.088324|0.120092|0.222606|0.113019|0.500000| |1.315508|1.316201|1.329773|1.234907|1.227000|1.313290|1.446913|1.595391|1.741424|2.182498|0.045324|1.454899|1.615981|2.648629|1.810683|14.288245|2.393885|0.071069|3.137019|3.671804|2.912989|0.073304|3.630603|0.067148|2.881355|2.428586|3.935249|4.164307|3.725001|3.789458|4.752457|7.022609|6.702143|4.566759|16.424042|17.578264|0.035949|0.034590|0.038985|0.034240|0.038404|0.032305|0.032015|0.035971|0.050791|0.051675|0.052499|0.048459|0.059110|0.072425|0.092302|0.080934|0.088131|0.119787|0.222679|0.112839|0.298376|0.500000| 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