Version2.1 2021-01-14T06:51:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 26-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@H](C)NC(=O)c1cc(cnc1N2CC[NH2+]CC2)NS(=O)(=O)c3cc(c(cc3C)C)C C35514022 RHF 6-31G(d) (6D,7F) CC[C@H](C)NC(=O)c1cc(cnc1N2CC[NH2+]CC2)NS(=O)(=O)c3cc(c(cc3C)C)C C01[X(C23H34N5O3S1)] 192 C1 552 CC[C@@H](NC(=O)c1cc(cnc1N1CC[NH2+]CC1)NS(=O)(=O)c1cc(C)c(cc1C)C)C CC[C@@H](NC(=O)c1cc(cnc1N1CC[NH2+]CC1)NS(=O)(=O)c1cc(C)c(cc1C)C)C CC[C@H](C)NC(=O)c1cc(N[S](=O)(=O)c2cc(C)c(C)cc2C)cnc1N3CC[NH2+]CC3 InChIKey=IYBSHIZXKMEJQL-SFHVURJKSA-O InChI=1S/C23H33N5O3S/c1-6-18(5)26-23(29)20-13-19(14-25-22(20)28-9-7-24-8-10-28)27-32(30,31)21-12-16(3)15(2)11-17(21)4/h11-14,18,24,27H,6-10H2,1-5H3,(H,26,29)/p+1/t18-/m0/s1 InChI=1/C23H33N5O3S/c1-6-18(5)26-23(29)20-13-19(14-25-22(20)28-9-7-24-8-10-28)27-32(30,31)21-12-16(3)15(2)11-17(21)4/h11-14,18,24,27H,6-10H2,1-5H3,(H,26,29)/p+1/t18-/m0/s1/fC23H34N5O3S/h24,26H/q+1 CC[C@H](C)NC(=O)c1cc(cnc1N2CC[NH2+]CC2)NS(=O)(=O)c3cc(c(cc3C)C)C C01[X(C23H34N5O3S1)] 192 C01 552 CC[C@@H](NC(=O)c1cc(cnc1N1CC[NH2+]CC1)NS(=O)(=O)c1cc(C)c(cc1C)C)C CC[C@@H]([NH][C](=O)[C]1[CH][C]([CH][N][C]1N1CC[NH2]CC1)NS(=O)(=O)[C]1[CH][C]([C]([CH][C]1C)C)C)C CC[C@H](C)NC(=O)[C]1[CH][C]([CH][N][C]1N2CC[NH2]CC2)N[S](=O)(=O)[C]3[CH][C](C)[C](C)[CH][C]3C InChIKey=WVXPPRRQEFOXJF-SFHVURJKSA-N InChI=1S/C23H34N5O3S/c1-6-18(5)26-23(29)20-13-19(14-25-22(20)28-9-7-24-8-10-28)27-32(30,31)21-12-16(3)15(2)11-17(21)4/h11-14,18,27H,6-10,24H2,1-5H3,(H,26,29)/t18-/m0/s1 InChI=1/C23H34N5O3S/c1-6-18(5)26-23(29)20-13-19(14-25-22(20)28-9-7-24-8-10-28)27-32(30,31)21-12-16(3)15(2)11-17(21)4/h11-14,18,27H,6-10,24H2,1-5H3,(H,26,29)/t18-/m0/s1/f/h26H 3693.1562293799 -1784.8656086 1-A 16142.0968 123 429 552 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0.3049 0.2857 0.3132 0.4143 0.4558 0.7428 0.0547 0.7204 0.7480 0.1174 0.7228 0.1154 0.4270 0.6631 0.1596 0.6719 0.7485 0.3452 0.7395 0.5257 0.6291 0.5702 0.1362 0.7022 0.7355 0.5389 0.2054 0.1797 0.1003 0.2048 0.1350 0.2834 0.2678 0.0668 0.3868 0.7151 0.6140 0.6353 0.0932 0.3369 0.6028 0.4786 0.6898 0.6666 0.7404 0.7081 0.7177 0.3667 0.7449 0.3865 0.6804 0.7470 0.5714 0.7354 0.7473 0.1568 0.6467 0.6648 0.1031 0.7016 0.7460 0.6035 0.6260 0.4731 0.5240 0.5261 0.3741 0.0808 0.7115 0.7190 0.7499 0.3111 0.4175 0.1723 0.2596 0.2965 0.1470 0.4632 0.4645 0.1433 0.6001 0.6177 0.4988 0.6282 0.7371 0.1695 0.6004 0.4170 0.7454 0.5780 0.4295 0.2614 0.7204 0.4829 0.7127 0.5672 0.6633 0.6724 0.5596 0.4714 0.5436 0.7397 0.6496 0.4704 0.7498 0.7372 0.7494 0.6541 0.7202 0.7408 0.7108 0.6957 0.7186 0.7173 0.4901 0.6693 0.6603 0.7396 0.7291 0.7436 0.4826 0.4431 0.1340 0.7238 0.5449 0.7371 0.2687 0.2547 0.3144 0.2049 0.0524 0.0304 0.0271 0.0340 0.0161 0.5036 0.6541 0.7056 0.7040 0.6587 0.6649 0.1821 0.7098 0.7487 0.1495 0.0938 0.7444 0.7464 0.6888 0.3040 0.7229 0.7418 0.3036 0.2797 0.2880 0.2741 0.2559 0.1222 0.6448 0.2070 0.1944 0.8216 0.8570 0.8009 0.8570 0.8284 0.8564 0.8514 0.7509 0.8498 0.8569 0.8187 0.6781 0.4692 0.8570 0.7891 0.8565 0.8570 0.8052 0.6768 0.7779 0.8571 0.2554 0.8251 0.5393 0.7813 0.8352 0.5063 0.4654 0.6385 0.6732 0.7993 0.4673 0.4445 0.4770 0.5858 0.6261 0.8524 0.1038 0.8374 0.8558 0.2101 0.8391 0.2069 0.5984 0.7974 0.2753 0.8038 0.8562 0.5133 0.8503 0.6891 0.7723 0.7263 0.2397 0.8250 0.8476 0.7004 0.3408 0.3047 0.1823 0.3400 0.2379 0.4416 0.4225 0.1252 0.5578 0.8339 0.7608 0.7770 0.1706 0.5040 0.7522 0.6473 0.8164 0.7999 0.8509 0.8291 0.8357 0.5366 0.8538 0.5575 0.8098 0.8552 0.7273 0.8475 0.8554 0.2710 0.7855 0.7987 0.1870 0.8246 0.8545 0.7527 0.7700 0.6423 0.6876 0.6894 0.5445 0.1496 0.8314 0.8365 0.8571 0.4746 0.5891 0.2940 0.4122 0.4573 0.2563 0.6331 0.6344 0.2506 0.7501 0.7637 0.6656 0.7717 0.8487 0.2898 0.7503 0.5886 0.8541 0.7326 0.6009 0.4144 0.8375 0.6512 0.8322 0.7238 0.7976 0.8041 0.7176 0.6407 0.7043 0.8504 0.7875 0.6398 0.8570 0.8487 0.8567 0.7909 0.8374 0.8511 0.8310 0.8205 0.8363 0.8354 0.6578 0.8019 0.7954 0.8503 0.8433 0.8530 0.6510 0.6140 0.2364 0.8398 0.7055 0.8486 0.4236 0.4060 0.4784 0.3401 0.0995 0.0590 0.0527 0.0658 0.0317 0.6698 0.7909 0.8274 0.8263 0.7942 0.7988 0.3082 0.8303 0.8563 0.2600 0.1715 0.8535 0.8548 0.8158 0.4662 0.8392 0.8518 0.4658 0.4371 0.4472 0.4303 0.4075 0.2178 0.7840 0.3430 0.3255 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 6 6 6 1 6 7 6 8 6 6 6 6 7 6 7 6 6 7 1 1 6 6 7 16 8 8 6 6 6 6 6 6 6 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 12.00000 12.00000 12.00000 1.00783 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 14.00307 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 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 1.00783 1.00783 10198.3411 20419.4028 26353.9419 0.99971 0.02330 -0.00566 -0.02326 0.99970 0.00701 0.00583 -0.00687 0.99996 1 0.00849 0.00424 0.00329 0.17696 0.08838 0.06848 15.60 27.46 30.32 42.87 56.59 66.99 88.68 96.91 103.12 127.39 140.86 155.39 170.35 177.12 191.33 214.51 244.60 260.27 272.47 282.31 304.88 331.27 342.51 357.37 369.29 385.65 387.77 418.24 437.57 445.00 453.29 468.60 479.22 514.85 535.97 557.73 594.62 627.74 640.43 655.11 665.92 686.50 714.82 722.97 728.49 733.81 760.70 791.22 806.31 828.84 840.73 846.29 889.20 911.32 926.54 973.21 1014.52 1054.59 1071.16 1135.40 1138.23 1175.60 1207.86 1213.81 1215.30 1231.26 1258.78 1295.15 1308.83 1351.65 1362.29 1381.17 1399.07 1426.94 1438.92 1459.94 1502.24 1535.34 1547.89 1556.77 1568.00 1579.01 1581.40 1593.69 1595.44 1599.23 1613.72 1630.87 1641.72 1650.36 1659.08 1664.86 1689.80 1701.50 1745.93 1765.34 1768.38 1779.44 1828.58 1837.03 1842.48 1849.12 1853.38 1860.38 1869.14 1920.41 1940.30 1963.24 1979.28 2000.40 2014.98 2039.35 2059.57 2068.51 2074.21 2087.46 2096.45 2102.86 2150.96 2172.52 2179.19 2192.50 2207.40 2213.53 2220.55 2245.43 2251.00 2254.55 2260.38 2262.47 2268.74 2278.54 2283.49 2286.28 2336.55 2337.11 2343.04 2344.40 2344.74 2351.06 2352.76 2355.14 2357.73 2358.15 2362.63 2366.03 2367.25 2368.15 2372.67 2372.87 2402.51 2465.50 2507.67 2551.18 2604.56 2611.84 2628.21 2744.33 4531.91 4582.08 4595.97 4609.61 4612.90 4618.91 4619.46 4652.13 4661.94 4685.07 4694.43 4698.36 4710.02 4716.61 4722.06 4727.96 4731.37 4733.03 4741.51 4745.20 4746.83 4767.89 4780.04 4818.96 4843.10 4849.65 4867.78 4890.45 4902.35 4912.54 5277.26 5371.58 5445.85 5561.31 0.605900 0.636743 0.637687 0.540997 -1784.259708 -1784.228865 -1784.227921 -1784.324611 3.242998D-04 MUNgauss RevisionA2.0 retrievium 14-Jan-2021 DUDE CC[C@H](C)NC(=O)c1cc(cnc1N2CC[NH2+]CC2)NS(=O)(=O)c3cc(c(cc3C)C)C C35514022 RHF 6-31G(d) (6D,10F) C1 460.238237 |X|Y|Z| 100.570580 67.986580 37.485574 63.521309 20 6 7 16 15 4 1 |36.858105| |12.466428|36.858105| |7.406931|12.443576|36.858105| |6.921664|8.887438|17.623942|0.500000| |4.863591|7.510559|12.462463|0.247424|36.858105| |6.285868|7.778655|13.012703|0.258498|7.729863|53.358707| |4.707443|5.179188|7.718886|0.205732|5.865843|19.308628|36.858105| |4.166444|4.548828|6.794062|0.213365|5.603602|11.571175|15.765816|73.516695| |3.842460|3.983384|5.014410|0.131344|4.201208|10.788522|12.635363|14.205392|36.858105| |3.977347|3.888453|4.414723|0.113499|3.619951|8.991070|7.576483|9.559440|13.728463|36.858105| |3.158241|3.078675|3.365559|0.087602|2.923766|6.152803|5.030223|7.144416|7.920715|13.776340|36.858105| |2.664448|2.667867|2.983972|0.078717|2.709199|5.264692|4.501181|6.768510|6.986060|8.053735|13.773383|36.858105| |2.617756|2.685699|3.127327|0.083465|2.901307|5.515812|5.055781|7.856344|7.991724|6.956116|8.032293|14.436500|53.358707| |3.006707|3.142940|3.861125|0.103525|3.530400|7.162295|7.457921|11.240280|13.599280|8.026637|7.005674|8.360097|19.717458|36.858105| |2.727859|2.918286|3.674402|0.101291|3.552690|6.282687|6.473574|11.733737|7.784719|5.171168|4.610333|5.371780|11.170822|13.472865|53.358707| |2.302688|2.476922|3.004810|0.081761|3.038647|4.878973|4.473026|8.007011|5.194583|4.004078|3.875013|4.751853|9.539696|7.845625|17.911036|36.858105| |2.158517|2.360024|2.879253|0.079364|3.043660|4.415116|3.902838|7.416773|4.042092|3.199170|3.021075|3.465137|6.158758|5.164030|10.793272|12.514827|36.858105| |2.115954|2.276969|2.778067|0.079375|2.878961|4.151508|3.721624|7.562835|3.706200|2.953014|2.754634|3.082332|5.323920|4.522928|9.237941|7.693113|12.630619|53.358707| |1.960030|2.075247|2.477399|0.070819|2.523733|3.712647|3.294402|6.549038|3.392408|2.781781|2.660774|3.025159|5.193784|4.189513|8.030040|6.966190|9.203481|25.675025|0.500000| |2.010469|2.178153|2.639462|0.075723|2.795998|3.822965|3.317289|6.767726|3.202586|2.611289|2.431116|2.667545|4.443952|3.721957|6.999499|5.681593|9.164997|25.695722|0.328338|0.500000| |2.431519|2.593921|3.254487|0.096086|3.253028|4.899062|4.651207|10.370858|4.409688|3.371674|3.019512|3.275604|5.639192|5.176095|10.766598|6.571394|7.555187|17.150367|0.255424|0.253918|36.858105| |2.616988|2.729422|3.403999|0.098938|3.228239|5.499143|5.610015|11.777514|5.977838|4.326124|3.863567|4.308626|7.943338|7.865253|17.834732|7.949095|6.615338|10.547680|0.195135|0.158472|12.576635|36.858105| |2.993023|2.833318|2.935160|0.076416|2.556972|5.065257|3.857496|5.690505|5.147349|7.851932|13.421841|7.754288|7.059196|4.603171|4.671219|3.029140|2.474309|3.113007|0.061922|0.057181|2.472217|3.020091|53.358707| |2.752005|2.671683|2.690348|0.068586|2.419147|4.480162|3.237293|4.829770|4.010575|5.383128|7.131593|5.519505|5.574028|3.681607|3.962121|2.686827|2.251449|2.785302|0.055203|0.051901|2.155751|2.531448|15.535044|388.023441| |2.522238|2.545021|2.629107|0.066559|2.445749|4.378714|3.207411|4.808123|4.016261|4.974418|6.547201|5.976507|6.135828|3.905042|4.232420|2.972767|2.458587|2.957895|0.058541|0.054961|2.237503|2.615283|10.283587|94.691565|73.516695| |2.415819|2.303685|2.285628|0.059299|2.067492|3.667500|2.663617|4.105469|3.178797|4.039617|5.089992|4.289610|4.524157|2.987065|3.339081|2.297459|1.960841|2.464911|0.049366|0.046265|1.899087|2.201401|10.616123|94.889086|13.660279|73.516695| |3.334075|3.225387|3.090810|0.076606|2.730846|5.090800|3.410925|4.995602|3.932749|5.212864|5.536272|4.208780|4.701798|3.373317|3.726882|2.482974|2.144884|2.668496|0.052116|0.050314|2.089042|2.396958|9.565658|76.571458|13.071491|12.812947|36.858105| |3.344078|3.438584|3.297510|0.079363|3.013183|5.373923|3.476307|5.066232|3.873537|4.747786|4.746132|3.875763|4.562399|3.348154|3.782804|2.554376|2.234280|2.732873|0.052823|0.051828|2.115932|2.384792|7.022957|50.262775|11.975286|9.022463|13.702609|36.858105| |3.638582|3.828163|3.460955|0.081823|3.191754|5.317612|3.277510|4.854256|3.405022|3.947929|3.716333|3.124525|3.849981|2.917922|3.420427|2.307347|2.077797|2.567555|0.049331|0.049291|1.994285|2.195548|5.313815|33.788681|8.054855|6.844848|7.867362|13.758209|36.858105| |4.036964|3.983742|3.380449|0.081334|3.011109|5.002598|3.064328|4.613254|3.104894|3.626276|3.364719|2.793959|3.447189|2.630954|3.110540|2.076108|1.886831|2.380757|0.045920|0.045893|1.870945|2.052184|4.943646|29.841291|6.633555|6.452857|6.869044|7.976055|13.621294|36.858105| |4.020728|3.664986|3.163091|0.078455|2.732633|4.783512|3.026456|4.567804|3.145007|3.837574|3.630423|2.921871|3.516757|2.650578|3.086133|2.041606|1.835326|2.341421|0.045522|0.044893|1.855080|2.063709|5.658566|33.607304|6.841113|7.531809|8.050078|6.967728|7.917273|13.714529|36.858105| |3.610129|3.297461|3.018735|0.075907|2.604587|4.787446|3.160883|4.720735|3.478040|4.512759|4.527426|3.485758|4.013752|2.944403|3.330140|2.198508|1.934151|2.457739|0.048098|0.046661|1.945879|2.210835|7.785593|48.781173|8.697778|10.690540|13.633907|7.842374|6.709627|7.789056|13.714546|36.858105| |3.237488|2.852936|2.647610|0.068817|2.277754|4.136631|2.843740|4.363003|3.148578|4.054332|4.218354|3.293737|3.765926|2.722095|3.099600|2.046912|1.801324|2.325941|0.045995|0.044131|1.849236|2.110857|7.667843|42.296068|7.396896|11.112289|7.400030|4.956529|4.379533|5.000646|7.606926|12.598740|36.858105| |3.956057|3.969064|3.211718|0.077843|2.929662|4.437166|2.707123|4.197884|2.638435|2.939661|2.703150|2.321460|2.942838|2.269562|2.765059|1.858560|1.726870|2.199259|0.042344|0.042863|1.725147|1.853277|3.866792|22.393473|5.152883|5.043769|4.447919|5.031979|7.526183|12.614790|7.595542|4.997897|3.807426|36.858105| |3.257828|3.654584|3.357107|0.078651|3.312157|4.928034|3.039422|4.603756|3.061211|3.322611|3.114706|2.761925|3.533344|2.702201|3.279683|2.258928|2.080165|2.544661|0.048578|0.049346|1.947502|2.095511|4.257271|26.097709|6.722809|5.456566|5.010504|7.585225|12.600019|7.496676|5.005016|4.378625|3.250208|6.421517|36.858105| |17.565256|8.812696|5.440548|0.141524|4.061758|6.455528|3.738953|5.989031|3.214932|3.394807|2.816135|2.393681|3.164949|2.603774|3.232371|2.050759|1.932192|2.573903|0.049015|0.050215|2.136307|2.280832|3.749304|18.513961|4.214760|4.144108|3.204150|3.209557|3.601191|4.207023|4.192112|3.585800|3.232929|4.378932|3.225342|0.500000| |17.563764|8.740642|6.616598|0.168695|4.415227|9.333303|5.188232|7.727495|4.434291|4.875918|3.751802|3.041322|3.977769|3.344262|3.979629|2.439555|2.233558|2.959150|0.056245|0.056684|2.502184|2.774156|4.869408|22.812635|5.091490|4.933532|3.952873|3.826778|4.035306|4.499093|4.714260|4.352880|3.880100|4.101456|3.427565|0.302337|0.500000| |17.549392|8.781927|6.757039|0.206518|4.537293|7.623046|4.575363|7.653409|3.667108|3.683278|2.950727|2.535164|3.437885|2.918073|3.674309|2.264095|2.141990|2.917437|0.055234|0.056750|2.502707|2.670089|3.771278|17.753438|4.087368|3.952857|2.901577|2.867338|3.035195|3.302688|3.355696|3.117948|2.911096|3.243890|2.761756|0.301952|0.301700|0.500000| |8.827295|17.487450|8.855806|0.174196|6.811818|9.647231|4.731323|7.133596|3.881018|3.907957|3.151001|2.714495|3.665045|3.092836|3.851686|2.447460|2.313630|2.975882|0.055529|0.058006|2.435492|2.579370|4.003577|20.418485|4.890419|4.350880|3.607439|4.015873|4.723284|4.870758|4.193894|3.646144|3.021563|4.894009|4.578491|0.211869|0.210171|0.172667|0.500000| |8.875253|17.549224|8.951020|0.211379|7.118647|7.697138|4.208232|6.991282|3.313480|3.196430|2.623653|2.328805|3.215288|2.729862|3.547410|2.256332|2.197274|2.912669|0.054210|0.057659|2.416447|2.476890|3.320752|16.556147|3.978790|3.636451|2.761202|2.949305|3.309713|3.463014|3.169315|2.834338|2.498661|3.628193|3.277362|0.215143|0.172883|0.210273|0.304652|0.500000| |4.557355|6.831143|8.803612|0.213002|17.560845|7.615674|4.548793|8.126841|3.432114|3.040578|2.523642|2.352966|3.404101|2.967695|4.114585|2.646620|2.703916|3.556000|0.064157|0.071787|2.926197|2.837107|3.069761|15.285068|3.839790|3.327476|2.421766|2.647301|2.844335|2.747409|2.499539|2.352382|2.085148|2.762551|2.979541|0.109754|0.110157|0.121772|0.166963|0.213115|0.500000| |4.035473|5.479636|8.813711|0.214168|17.575306|9.592005|6.278267|11.533731|4.430905|3.616162|2.943866|2.807023|4.226080|3.869117|5.586551|3.486772|3.596669|4.621006|0.080592|0.091915|3.865880|3.708970|3.430171|16.752431|4.297317|3.579951|2.573845|2.812788|2.885696|2.685542|2.478616|2.420557|2.145639|2.570575|2.983638|0.094607|0.105823|0.108467|0.140006|0.143724|0.301349|0.500000| |4.473822|6.816779|8.779533|0.173591|17.534947|9.411866|5.173151|8.271472|4.031215|3.584419|2.950169|2.731895|3.929276|3.430767|4.602509|2.978167|2.950384|3.682813|0.066414|0.072815|2.955746|2.976884|3.545936|18.036357|4.624079|3.819420|2.914129|3.336973|3.613224|3.303517|2.895969|2.732101|2.334362|3.217399|3.920367|0.107830|0.115900|0.110899|0.202312|0.176134|0.301201|0.300567|0.500000| |5.983385|7.256123|9.006088|0.181355|6.503277|26.040997|9.442011|10.900488|7.586982|7.299063|4.994054|4.114182|5.622142|5.105393|5.810040|3.447283|3.060643|3.820101|0.070587|0.071770|3.192729|3.618082|5.671994|27.017199|6.597524|5.359233|4.531928|4.956869|4.879728|4.422882|4.127193|4.131038|3.399013|3.752024|4.390182|0.131727|0.191537|0.138713|0.214839|0.145804|0.135812|0.160673|0.185633|0.500000| |4.856815|4.494946|4.814022|0.122084|3.735735|9.702441|6.983306|8.918169|8.883120|17.745608|8.984651|5.705796|6.802201|5.666056|5.662133|3.325398|2.788078|3.564695|0.068454|0.065603|2.996934|3.666090|9.878454|37.661440|8.110017|7.220676|5.821279|5.118240|4.395996|4.221279|4.612540|5.395577|4.747747|3.357156|3.545770|0.113518|0.178844|0.120919|0.125682|0.099526|0.087836|0.099586|0.102595|0.228719|0.500000| |2.346368|2.340862|2.564264|0.067913|2.368153|4.345053|3.591530|5.590282|5.012998|5.686108|8.903910|17.729718|12.691814|5.894173|5.941875|4.173816|3.132591|3.802286|0.077574|0.067898|2.884279|3.653315|9.586266|39.184018|11.064580|8.051037|3.924338|3.583858|2.885374|2.587015|2.716103|3.256857|3.141691|2.162723|2.568579|0.059587|0.073531|0.062160|0.066521|0.057600|0.058044|0.067898|0.066766|0.094326|0.124759|0.500000| |2.106256|2.219762|2.624618|0.072116|2.611653|4.207870|3.785399|6.791051|4.484404|3.667915|3.719535|4.737114|9.384498|6.619402|12.211769|17.492156|8.813075|9.304304|0.200893|0.142560|5.743466|7.135044|4.029919|18.531833|5.106894|4.034679|2.348808|2.372695|2.129922|1.933460|1.924484|2.091006|1.979831|1.730577|2.066448|0.052593|0.062221|0.057825|0.060900|0.056451|0.064313|0.081372|0.071118|0.083296|0.085039|0.120827|0.500000| |2.293815|2.491728|2.982574|0.079044|3.055535|4.885791|4.284238|7.256748|5.092428|4.079645|4.045575|5.034424|9.774215|7.365223|12.450298|17.640043|8.977829|7.624615|0.142561|0.127060|4.919930|5.712821|4.314679|20.600400|5.907148|4.337193|2.662036|2.791128|2.491319|2.195867|2.136374|2.306917|2.114633|1.950096|2.462161|0.057095|0.067726|0.061660|0.069755|0.062821|0.073396|0.096010|0.085675|0.099171|0.093839|0.124291|0.303338|0.500000| |1.934299|2.105139|2.503674|0.068708|2.662961|3.775442|3.218255|6.000782|3.362569|2.784801|2.699436|3.111417|5.334950|4.181609|7.709954|8.746774|17.622615|12.343137|0.226297|0.220664|5.560700|4.969836|3.081410|14.914959|4.106542|3.285549|1.985405|2.072099|1.929726|1.751119|1.700746|1.790487|1.672947|1.610326|1.947145|0.048684|0.055442|0.053192|0.057805|0.054934|0.066835|0.085581|0.072771|0.073953|0.068220|0.080602|0.213267|0.210101|0.500000| |2.295014|2.571901|3.200941|0.087254|3.521684|4.833941|4.192833|7.987697|4.109805|3.220509|2.959460|3.280345|5.646773|4.925389|9.737356|8.831147|17.646236|12.414826|0.181206|0.225394|6.865082|5.789339|3.315475|15.968923|4.355432|3.452610|2.190856|2.320845|2.187856|1.977231|1.898298|1.976257|1.817693|1.821065|2.222780|0.056835|0.065289|0.062949|0.070127|0.066743|0.086036|0.119668|0.094917|0.092367|0.079098|0.081536|0.173028|0.215855|0.299137|0.500000| |2.283403|2.394893|2.935745|0.088366|2.902641|4.296063|3.942692|8.761969|3.719871|2.976579|2.696391|2.888238|4.788134|4.190099|7.690606|4.941926|5.564190|12.335957|0.226288|0.220357|17.628028|8.755072|3.076571|14.021001|3.594915|3.135183|1.912441|1.919834|1.820956|1.729736|1.726587|1.805468|1.737298|1.607693|1.773438|0.056156|0.064850|0.066223|0.062003|0.062718|0.074365|0.093593|0.072939|0.078011|0.075004|0.071892|0.129579|0.108520|0.126342|0.141556|0.500000| |2.652433|2.903348|3.777400|0.112647|3.879713|5.542945|5.243957|12.486267|4.540170|3.419103|2.970210|3.126063|5.250853|4.967064|9.788245|5.781365|6.850605|12.319475|0.180470|0.222698|17.662064|8.903103|3.324193|15.320100|3.967385|3.351668|2.136067|2.191616|2.093717|1.963405|1.925956|1.994821|1.873651|1.823010|2.063418|0.064119|0.074743|0.075916|0.074953|0.075423|0.096201|0.134015|0.095384|0.097710|0.085901|0.075875|0.133112|0.129401|0.141091|0.203629|0.298414|0.500000| |2.929766|2.994572|3.771314|0.113048|3.408772|6.146665|6.592819|14.911934|6.628411|4.743920|4.032566|4.236489|7.303542|7.421240|12.438542|5.723332|4.941983|7.669282|0.143724|0.127469|9.044079|17.723100|4.298253|18.414581|4.629925|4.007771|2.489254|2.444904|2.264353|2.147822|2.181576|2.333302|2.243779|1.939302|2.132027|0.069879|0.086830|0.084433|0.077043|0.074776|0.083156|0.106939|0.085478|0.108879|0.113651|0.098290|0.145267|0.127600|0.108983|0.129329|0.211288|0.217788|0.500000| |2.341622|2.398037|2.882353|0.083317|2.731267|4.591630|4.416380|8.730339|4.967025|3.910400|3.704251|4.287089|7.835234|6.638777|12.276186|7.232229|5.846216|9.458852|0.205408|0.144044|8.832235|17.433081|4.012562|17.480198|4.513395|3.862401|2.271597|2.230326|2.037567|1.911802|1.941102|2.099204|2.036001|1.724668|1.935547|0.057548|0.069258|0.066359|0.063496|0.060860|0.067834|0.085033|0.071083|0.086350|0.092270|0.104395|0.217022|0.146207|0.131786|0.134364|0.212172|0.173596|0.300424|0.500000| |2.677822|2.511327|2.594755|0.068783|2.281486|4.342442|3.357845|5.134337|4.345551|5.986407|9.203513|6.867477|6.428017|4.084490|4.288144|2.826659|2.323218|2.961845|0.059682|0.054476|2.341597|2.854178|25.877453|61.269906|10.982968|13.984422|5.460913|4.159123|3.295242|3.139924|3.615948|4.830683|5.241527|2.531172|2.709971|0.069185|0.087459|0.070125|0.071555|0.061045|0.056651|0.062841|0.064040|0.096281|0.155007|0.192911|0.078587|0.081063|0.059583|0.062768|0.060230|0.063456|0.082705|0.079257|0.500000| |2.986569|3.153071|3.148427|0.076031|2.974195|5.168019|3.447989|5.051169|3.934033|4.640793|4.815549|4.160316|4.925708|3.540426|4.004423|2.764722|2.395665|2.871633|0.055479|0.054291|2.188215|2.466922|6.763590|48.887933|14.466596|8.591577|8.968521|17.763449|8.936133|5.659568|5.005115|5.624283|4.056794|4.089602|7.044189|0.078655|0.093052|0.072589|0.100755|0.076103|0.072135|0.078769|0.092361|0.130440|0.129447|0.108048|0.071060|0.086015|0.062045|0.069108|0.054682|0.062726|0.068989|0.064192|0.112263|0.500000| |4.000592|3.494945|2.954382|0.074764|2.542570|4.323791|2.760866|4.258100|2.813868|3.356276|3.164164|2.593321|3.160966|2.390929|2.826847|1.870800|1.698628|2.193291|0.042763|0.042248|1.743730|1.925058|4.891303|27.686339|5.712443|6.542876|5.700775|5.001202|5.647792|8.969998|17.718696|8.987122|7.157067|7.118706|4.086066|0.121220|0.127681|0.093940|0.107998|0.085779|0.065787|0.063970|0.073675|0.099942|0.111512|0.067385|0.049248|0.053815|0.043821|0.048704|0.045506|0.050254|0.056842|0.050493|0.089897|0.108410|0.500000| |2.739858|2.475514|2.328724|0.060795|2.049913|3.604952|2.518165|3.916966|2.809944|3.527351|3.833231|3.117911|3.547221|2.508794|2.883834|1.938290|1.707141|2.198660|0.043740|0.041777|1.727682|1.964095|7.074667|42.388938|7.426055|13.127392|6.508329|4.517022|3.933032|4.314335|5.975044|8.857846|17.608383|3.387561|3.012902|0.076192|0.088493|0.069404|0.072845|0.061205|0.052411|0.054122|0.058593|0.081598|0.109011|0.085271|0.052554|0.055863|0.044425|0.047598|0.045197|0.048316|0.057327|0.053167|0.141771|0.106566|0.157290|0.500000| |3.304267|2.880048|2.739877|0.072131|2.326129|4.373141|3.088354|4.725305|3.506911|4.677884|4.952778|3.727344|4.181812|3.008943|3.367136|2.193546|1.908097|2.478237|0.049160|0.046697|1.988992|2.308432|9.454418|43.804231|7.539795|11.192001|6.601643|4.524450|3.901939|4.246331|5.849517|8.816729|17.587700|3.326129|2.988188|0.089177|0.112111|0.084086|0.082874|0.069556|0.058795|0.061482|0.065343|0.098396|0.153031|0.097670|0.059237|0.062387|0.048939|0.053097|0.051941|0.055593|0.068811|0.062129|0.184264|0.106992|0.152795|0.303127|0.500000| |3.330758|2.852433|2.581782|0.067689|2.210722|3.914800|2.662761|4.148263|2.849001|3.535167|3.533872|2.840626|3.346978|2.460264|2.858501|1.886272|1.683660|2.194962|0.043367|0.041907|1.751795|1.975260|5.961320|31.719016|6.019356|8.267836|5.538045|4.172002|3.970895|4.812478|7.413905|8.909982|17.603044|3.895167|3.032065|0.095180|0.109595|0.083485|0.083187|0.070161|0.056934|0.057398|0.062515|0.087846|0.115907|0.075037|0.050625|0.053715|0.043476|0.047356|0.046058|0.049516|0.058657|0.052821|0.115550|0.095978|0.233150|0.301073|0.301769|0.500000| |3.250555|3.328103|2.796695|0.068479|2.636454|3.857441|2.408526|3.780395|2.370488|2.610296|2.454905|2.151766|2.734601|2.085410|2.564643|1.750295|1.634798|2.074130|0.040045|0.040570|1.608735|1.717185|3.519883|20.829970|4.900607|4.771390|3.984493|4.597757|6.677342|8.851602|5.928757|4.295225|3.372067|17.550931|6.472825|0.098264|0.092620|0.076451|0.111293|0.086651|0.069653|0.065163|0.080992|0.089521|0.080623|0.056403|0.045440|0.051273|0.042699|0.047839|0.041702|0.047064|0.049447|0.044636|0.064706|0.107881|0.155138|0.086535|0.081850|0.094857|0.500000| |3.983426|3.768787|3.011059|0.074723|2.700660|4.107675|2.541615|3.992617|2.468405|2.756130|2.539836|2.178909|2.759980|2.126052|2.599069|1.741277|1.621713|2.088698|0.040376|0.040763|1.646892|1.767985|3.671489|20.786162|4.689488|4.811316|3.998620|4.195325|5.559297|8.850589|7.333210|4.778370|3.875305|17.601965|4.718885|0.128278|0.113981|0.091748|0.122937|0.097183|0.071743|0.066143|0.080214|0.093970|0.088127|0.056581|0.045337|0.050264|0.042029|0.047246|0.042974|0.048183|0.051729|0.045915|0.067774|0.096195|0.229150|0.095135|0.093275|0.115758|0.301976|0.500000| 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