Version2.4 2021-06-06T23:07:37Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 27-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCN(CC)c1ccc(cc1)[C@H]2c3c([nH]c(=O)s3)S[C@@H]4[C@@H]2[C@H]5C[C@@H]4[C@@H]6[C@@H]5C(=O)N(C6=O)[C@@H](C)C(=O)[O-] C12579563 RHF 6-31G(d) (6D,7F) CCN(CC)c1ccc(cc1)[C@H]2c3c([nH]c(=O)s3)S[C@@H]4[C@@H]2[C@H]5C[C@@H]4[C@@H]6[C@@H]5C(=O)N(C6=O)[C@@H](C)C(=O)[O-] C01[X(C26H28N3O5S2)] 186 C1 604 CCN(c1ccc(cc1)[C@@H]1[C@@H]2[C@@H](Sc3c1sc(=O)[nH]3)[C@@H]1C[C@H]2[C@@H]2[C@@H]1C(=O)N(C2=O)[C@H](C(=O)[O-])C)CC CCN(c1ccc(cc1)[C@@H]1[C@@H]2[C@@H](Sc3c1sc(=O)[nH]3)[C@@H]1C[C@H]2[C@@H]2[C@@H]1C(=O)N(C2=O)[C@H](C(=O)[O-])C)CC CCN(CC)c1ccc(cc1)[C@@H]2[C@H]3[C@H]4C[C@@H]([C@@H]3SC5=C2SC(=O)N5)[C@@H]6[C@@H]4C(=O)N([C@@H](C)C([O-])=O)C6=O InChIKey=NICFSLOKLZZXOT-MXNISGEDSA-M InChI=1S/C26H29N3O5S2/c1-4-28(5-2)13-8-6-12(7-9-13)16-17-14-10-15(20(17)35-22-21(16)36-26(34)27-22)19-18(14)23(30)29(24(19)31)11(3)25(32)33/h6-9,11,14-20H,4-5,10H2,1-3H3,(H,27,34)(H,32,33)/p-1/t11-,14+,15+,16+,17+,18+,19+,20-/m0/s1 InChI=1/C26H29N3O5S2/c1-4-28(5-2)13-8-6-12(7-9-13)16-17-14-10-15(20(17)35-22-21(16)36-26(34)27-22)19-18(14)23(30)29(24(19)31)11(3)25(32)33/h6-9,11,14-20H,4-5,10H2,1-3H3,(H,27,34)(H,32,33)/p-1/t11-,14+,15+,16+,17+,18+,19+,20-/m0/s1/fC26H28N3O5S2/h27H/q-1 CCN(CC)c1ccc(cc1)[C@H]2c3c([nH]c(=O)s3)S[C@@H]4[C@@H]2[C@H]5C[C@@H]4[C@@H]6[C@@H]5C(=O)N(C6=O)[C@@H](C)C(=O)[O-] C01[X(C26H28N3O5S2)] 186 C01 604 CCN(c1ccc(cc1)[C@@H]1[C@@H]2[C@@H](Sc3c1sc(=O)[nH]3)[C@@H]1C[C@H]2[C@@H]2[C@@H]1C(=O)N(C2=O)[C@H](C(=O)[O-])C)CC CCN([C]1[CH][CH][C]([CH][CH]1)[C@@H]1[C@@H]2[C@@H](Sc3c1sc(=O)[nH]3)[C@@H]1C[C@H]2[C@@H]2[C@@H]1C(=O)N(C2=O)[C@H]([C]([O])[O])C)CC CCN(CC)[C]1[CH][CH][C]([CH][CH]1)[C@@H]2[C@H]3[C@H]4C[C@@H]([C@@H]3SC5=C2SC(=O)N5)[C@@H]6[C@@H]4C(=O)N([C@@H](C)[C]([O])[O])C6=O InChIKey=OJLXSBRLABNCNV-MXNISGEDSA-N InChI=1S/C26H28N3O5S2/c1-4-28(5-2)13-8-6-12(7-9-13)16-17-14-10-15(20(17)35-22-21(16)36-26(34)27-22)19-18(14)23(30)29(24(19)31)11(3)25(32)33/h6-9,11,14-20H,4-5,10H2,1-3H3,(H,27,34)/t11-,14+,15+,16+,17+,18+,19+,20-/m0/s1 InChI=1/C26H28N3O5S2/c1-4-28(5-2)13-8-6-12(7-9-13)16-17-14-10-15(20(17)35-22-21(16)36-26(34)27-22)19-18(14)23(30)29(24(19)31)11(3)25(32)33/h6-9,11,14-20H,4-5,10H2,1-3H3,(H,27,34)/t11-,14+,15+,16+,17+,18+,19+,20-/m0/s1/f/h27H 4383.3706275616 -2333.5819177 1-A 21724.6493 139 465 604 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.89698 -91.88782 -20.47253 -20.43869 -20.43612 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0.8383 0.8563 0.2064 0.8210 0.3872 0.7797 0.8257 0.8302 0.3688 0.5951 0.8521 0.7788 0.2494 0.7973 0.5661 0.5566 0.3738 0.3009 0.4379 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 6 6 7 6 6 6 6 6 6 6 6 6 1 6 6 7 1 6 8 16 16 6 1 6 1 6 1 6 6 1 6 1 6 1 6 8 7 6 8 6 1 6 6 8 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 14.00307 1.00783 12.00000 15.99491 31.97207 31.97207 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 12.00000 15.99491 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 15.99491 15.99491 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 15628.0494 26908.5931 35553.8736 0.99923 0.03905 -0.00260 -0.03908 0.99913 -0.01468 0.00203 0.01478 0.99989 1 0.00554 0.00322 0.00244 0.11548 0.06707 0.05076 22.58 28.40 33.67 44.07 66.53 78.89 82.19 89.46 99.97 109.73 141.37 148.34 171.58 177.03 210.07 222.23 225.78 241.01 265.70 283.11 313.45 319.44 332.75 347.67 362.08 391.60 428.90 434.01 444.65 478.50 501.90 510.07 517.70 527.68 566.09 624.52 628.44 648.35 651.86 660.72 680.82 687.42 715.59 741.58 751.28 807.42 814.79 826.62 845.82 863.76 893.94 911.88 928.92 960.23 990.46 1008.28 1015.73 1055.02 1092.54 1094.91 1113.82 1152.91 1181.54 1198.70 1224.65 1231.99 1234.66 1242.72 1250.86 1261.70 1317.48 1321.18 1340.21 1350.06 1364.97 1377.32 1385.82 1405.85 1421.43 1436.66 1447.34 1461.04 1508.47 1536.37 1552.10 1581.85 1583.34 1594.30 1602.81 1614.86 1647.65 1686.75 1704.29 1708.57 1724.45 1729.71 1752.61 1757.41 1772.78 1773.89 1783.95 1795.40 1819.78 1842.27 1849.10 1850.27 1883.87 1900.69 1919.04 1923.95 1927.83 1943.21 1959.63 1973.19 1982.53 1992.21 2026.52 2051.23 2058.32 2065.34 2072.24 2075.66 2094.43 2101.74 2152.67 2162.89 2174.93 2187.08 2193.47 2198.80 2206.93 2213.43 2243.50 2250.70 2253.88 2258.17 2275.16 2286.97 2302.18 2312.18 2351.57 2353.62 2355.77 2361.02 2366.96 2382.04 2387.95 2391.43 2409.98 2414.90 2442.75 2530.04 2575.19 2618.24 2745.27 2816.09 2865.58 2948.67 4560.46 4579.54 4591.62 4602.60 4607.74 4626.15 4640.09 4647.93 4667.35 4679.28 4682.56 4684.23 4701.62 4707.65 4711.64 4712.52 4727.73 4727.96 4733.28 4738.80 4754.87 4761.74 4791.67 4809.57 4848.65 4897.20 4916.21 5572.67 0.552989 0.583573 0.584517 0.488180 -2333.028929 -2332.998345 -2332.997401 -2333.093738 3.231159D-04 MUNgauss RevisionA2.1 retrievium 06-Jun-2021 DUDE CCN(CC)c1ccc(cc1)[C@H]2c3c([nH]c(=O)s3)S[C@@H]4[C@@H]2[C@H]5C[C@@H]4[C@@H]6[C@@H]5C(=O)N(C6=O)[C@@H](C)C(=O)[O-] C12579563 RHF 6-31G(d) (6D,10F) C1 526.147040 |X|Y|Z| 81.417679 113.921675 46.015438 75.290968 23 6 7 16 19 2 2 |36.858105| |12.452016|36.858105| |7.608874|13.138611|53.358707| |5.759347|7.735936|17.904829|36.858105| |4.216587|5.683847|10.386776|12.451674|36.858105| |5.732164|7.683368|18.698110|7.697381|5.685902|36.858105| |4.138493|5.058872|10.657237|6.586287|5.470126|13.627759|36.858105| |3.382418|3.886583|7.009739|4.456965|3.968713|7.859599|13.748640|36.858105| |3.322982|3.701427|6.124507|3.703214|3.288045|6.691368|7.853826|13.765912|36.858105| |4.013669|4.463512|7.012023|3.891097|3.348277|7.851208|6.929874|8.064829|13.686204|36.858105| |5.515560|6.589445|10.642133|5.064158|4.098256|13.567574|7.991643|6.945477|7.864636|13.824984|36.858105| |2.664814|2.870577|4.506390|2.875214|2.637461|4.362041|4.988501|7.528543|12.526157|7.467261|4.981059|36.858105| |2.444303|2.644952|4.210496|2.787619|2.605725|3.970895|4.824929|7.431870|9.004117|5.594526|4.197987|17.504173|0.500000| |2.420540|2.628362|3.965966|2.525775|2.384928|3.671800|3.951176|5.230274|7.485702|6.077964|4.289636|12.470076|0.248134|36.858105| |2.173483|2.307401|3.378849|2.175976|2.058318|3.004006|3.129258|3.871917|5.106823|4.655092|3.509405|7.375982|0.167200|14.263125|36.858105| |2.010531|2.151730|3.095087|2.004772|1.932609|2.678690|2.745546|3.249918|4.028128|3.853169|3.086678|5.048735|0.123644|8.324780|13.685015|53.358707| |1.856865|1.965025|2.792227|1.823840|1.760428|2.371239|2.409398|2.789804|3.365353|3.281006|2.709722|4.093272|0.102650|5.910660|9.016178|26.022486|0.500000| |2.051297|2.248506|3.244114|2.099453|2.062531|2.800095|2.876443|3.361542|4.041682|3.868023|3.178738|4.706151|0.118646|7.467806|8.123434|19.061168|0.258833|36.858105| |1.900300|2.086257|2.968401|1.941359|1.934702|2.495593|2.537828|2.866259|3.300508|3.228246|2.781210|3.657399|0.094937|5.104588|5.472550|11.376591|0.206719|15.975708|73.516695| |2.369732|2.672262|4.007504|2.558649|2.514632|3.622926|3.861096|4.761653|5.869069|5.190158|4.082108|6.603383|0.164776|10.719012|7.440568|10.215140|0.151321|10.735941|12.733954|388.023441| |2.002978|2.059062|2.982467|1.950740|1.821947|2.589895|2.678054|3.224272|4.059061|3.791656|2.984685|5.597950|0.134752|6.785562|10.740222|9.563098|0.185239|4.803579|6.790546|31.399705|388.023441| |2.120632|2.175879|3.246577|2.146234|1.979673|2.874862|3.095119|3.902807|4.896684|4.167689|3.229083|7.581168|0.191232|6.844462|7.423814|6.680640|0.121905|3.937942|5.658386|29.948200|74.612370|36.858105| |2.013242|2.097050|3.161589|2.117045|1.984269|2.793063|3.089660|3.960924|4.764813|3.873220|3.051475|7.617925|0.224078|7.121137|7.291538|6.815090|0.122419|4.132908|5.919455|32.019586|58.520385|17.601126|0.500000| |2.556866|2.629970|4.002217|2.578165|2.318537|3.707483|4.000595|5.300370|7.492304|6.043537|4.306345|12.411368|0.244193|7.815368|6.754506|6.174078|0.108555|3.898934|5.573097|32.783495|49.083538|12.261672|0.245568|36.858105| |2.726992|2.769564|4.106741|2.582267|2.300588|3.788651|3.848925|4.808454|7.019875|6.775424|4.683450|9.113142|0.175937|7.301195|6.812531|6.364168|0.112934|3.960499|5.677350|32.100401|49.999633|8.795549|0.178185|17.669449|0.500000| |2.547076|2.545341|3.901074|2.583540|2.278908|3.517685|3.835658|4.818898|5.778796|4.868792|3.870547|7.007040|0.177575|4.841540|4.379815|4.518789|0.083070|2.963117|4.443814|24.385603|34.191951|7.887878|0.176481|12.226648|0.245453|36.858105| |2.824059|2.812921|4.422211|2.941560|2.534821|4.041110|4.498715|5.594199|6.247777|5.208721|4.300970|6.441345|0.167890|4.355729|3.786263|4.057938|0.074422|2.756293|4.185922|23.327867|27.623591|5.620952|0.138100|8.477116|0.193265|17.629738|0.500000| |2.132869|2.151837|3.283353|2.242918|2.035788|2.869076|3.199991|3.971862|4.417074|3.665131|3.037055|5.660499|0.166034|4.301365|4.055808|4.283555|0.080092|2.795842|4.240700|22.367335|33.150988|8.267741|0.209612|7.960704|0.161793|12.314148|0.234581|36.858105| |1.977764|1.988978|2.956504|1.995404|1.829912|2.552712|2.745513|3.329817|3.877192|3.396805|2.787650|5.148424|0.140622|4.451923|4.665672|4.838532|0.092647|2.994449|4.518033|22.521295|45.615421|12.388135|0.253766|7.711093|0.171403|8.248647|0.158268|12.150498|36.858105| |1.780593|1.796129|2.655970|1.813649|1.684727|2.257421|2.431301|2.900981|3.277752|2.893203|2.430045|4.241364|0.120342|3.889153|4.180197|4.547250|0.089095|2.822700|4.329114|20.651011|40.753957|8.662207|0.222191|5.548937|0.129888|5.712149|0.122417|8.433153|17.605979|0.500000| |2.037198|1.997017|2.922206|1.965914|1.775110|2.485997|2.593649|3.023496|3.499238|3.256554|2.742583|4.215375|0.109993|3.667421|3.835883|4.152573|0.080922|2.607560|4.010093|19.435270|36.676598|7.215761|0.151942|6.285492|0.162730|7.872624|0.157543|8.307950|12.447975|0.238618|36.858105| |1.933668|1.886998|2.769895|1.894691|1.712755|2.324372|2.445892|2.809526|3.124520|2.888114|2.501811|3.641611|0.098676|3.144961|3.216157|3.591295|0.070260|2.309531|3.603713|17.326610|28.919525|5.506464|0.128355|4.989786|0.126741|6.681088|0.146597|8.009008|9.206628|0.214683|17.502715|0.500000| |2.427874|2.353316|3.466270|2.288626|2.017417|3.008068|3.095595|3.614419|4.306416|4.097096|3.393646|4.928337|0.121802|3.996521|3.950065|4.211776|0.080060|2.700441|4.119137|20.928098|34.137817|6.669171|0.140295|7.948623|0.220428|12.253092|0.233823|7.867546|7.972559|0.156113|12.507833|0.248195|36.858105| |2.535565|2.455609|3.555706|2.298258|2.026978|3.100293|3.096353|3.589368|4.478860|4.515046|3.648551|5.088465|0.118828|4.339678|4.412797|4.659375|0.088590|2.935379|4.443935|22.384570|38.711599|6.666075|0.136108|8.242775|0.286960|8.840987|0.186752|5.932511|6.661750|0.137218|9.015687|0.177288|17.600804|0.500000| |2.384830|2.239776|3.229574|2.157088|1.887170|2.702721|2.709701|2.998437|3.403827|3.397529|3.002591|3.616221|0.091712|3.080575|3.070006|3.461402|0.067136|2.264588|3.542804|17.254989|25.806915|4.413812|0.100866|4.946825|0.144160|6.669020|0.165507|5.254486|5.245115|0.118118|8.259748|0.214180|12.668264|0.269321|36.858105| |2.534023|2.325166|3.341468|2.251144|1.941046|2.745795|2.721920|2.918276|3.205794|3.250418|2.994158|3.237312|0.083092|2.745647|2.677766|3.084053|0.059711|2.063590|3.262592|15.901844|21.439347|3.588504|0.085567|4.129996|0.119644|5.491773|0.153591|4.379746|4.089269|0.095867|5.574783|0.156483|7.756837|0.182796|16.033978|73.516695| |2.087592|1.972576|2.800069|1.878384|1.673335|2.310586|2.307357|2.543936|2.890129|2.900862|2.570833|3.149706|0.080461|2.836927|2.951490|3.392715|0.067316|2.184862|3.448381|16.066557|26.129545|4.151412|0.094907|4.200790|0.123828|4.993702|0.120185|4.451209|5.037138|0.119922|8.396793|0.213469|8.330972|0.215979|13.494623|14.646031|53.358707| |1.946715|1.880337|2.686400|1.801533|1.628427|2.239489|2.269833|2.560685|2.952531|2.892117|2.497452|3.392793|0.087009|3.132898|3.383603|3.830435|0.076712|2.399405|3.755363|17.296307|32.628917|5.144094|0.113601|4.658314|0.134136|5.192109|0.116895|5.010011|6.672680|0.159728|12.589018|0.260042|8.249535|0.219666|8.174371|9.786176|18.578839|36.858105| |1.779068|1.727081|2.444814|1.643571|1.502480|2.018791|2.037873|2.282824|2.619315|2.583159|2.248267|3.014527|0.077820|2.912862|3.250128|3.791887|0.077889|2.350938|3.719771|16.422293|32.197052|4.547470|0.103875|3.928054|0.113847|4.066437|0.094294|4.068617|5.510948|0.145327|7.773232|0.179528|5.582658|0.159594|5.491405|7.422590|11.174217|16.022987|73.516695| |2.040368|1.897765|2.635264|1.766148|1.574509|2.130947|2.082108|2.238054|2.519303|2.609696|2.377986|2.660913|0.067793|2.468550|2.580483|3.065382|0.061553|1.995919|3.198292|14.470119|22.117461|3.269289|0.077101|3.347701|0.101432|3.734688|0.094694|3.328508|3.681916|0.091567|5.158604|0.134855|5.355267|0.154790|7.725242|11.675705|17.597604|7.563188|11.475621|36.858105| |2.128237|1.948467|2.698559|1.817961|1.606620|2.159794|2.098438|2.221791|2.461077|2.563511|2.385746|2.533966|0.064934|2.315523|2.368873|2.827753|0.056362|1.871748|3.011673|13.766100|19.587700|2.956426|0.070932|3.122749|0.093743|3.576327|0.094196|3.146807|3.304749|0.082172|4.466190|0.121775|4.921976|0.137350|7.608397|13.784223|12.747570|5.698811|8.573165|17.606300|0.500000| |1.757817|1.648428|2.282513|1.549067|1.400076|1.824268|1.795720|1.922906|2.131022|2.180311|2.004623|2.268654|0.058889|2.149748|2.274221|2.763486|0.056331|1.803728|2.927371|12.856303|19.553684|2.818916|0.068251|2.765407|0.081649|3.018369|0.076818|2.855269|3.204791|0.083717|4.242748|0.116104|3.992829|0.112374|5.074563|8.070072|10.354133|6.117466|11.052010|12.501909|0.249137|36.858105| |2.191404|2.032554|2.774864|1.824929|1.625768|2.248095|2.148405|2.297819|2.644229|2.840867|2.580990|2.760213|0.068591|2.628907|2.782318|3.334728|0.067204|2.160503|3.460753|15.472262|23.552895|3.273112|0.076676|3.427463|0.109580|3.564054|0.090714|3.061419|3.419900|0.084344|4.446999|0.109263|4.901158|0.160138|6.025380|9.346011|10.426561|6.038529|9.948626|12.170823|0.247728|7.338719|36.858105| |2.062524|1.902659|2.559185|1.691665|1.516625|2.037332|1.932390|2.036114|2.308480|2.496052|2.319376|2.378693|0.059703|2.306599|2.443556|3.012366|0.061348|1.975351|3.212736|13.981953|20.168261|2.736984|0.065807|2.837259|0.089341|2.904633|0.075436|2.558810|2.823754|0.071495|3.487083|0.088370|3.727442|0.117618|4.414538|7.317744|7.241793|4.503338|7.940507|8.098079|0.193779|6.682137|15.547887|73.516695| |2.417377|2.262600|3.105012|2.006175|1.778535|2.568867|2.440685|2.646099|3.145276|3.443546|3.036351|3.298753|0.079623|3.136475|3.326101|3.889523|0.077376|2.489428|3.922477|17.957600|28.217383|3.883732|0.088464|4.221125|0.143385|4.220254|0.105516|3.442647|3.875270|0.092414|4.965259|0.115199|5.929410|0.221257|6.535200|9.626199|9.898001|6.284760|9.859125|8.029603|0.182115|5.280977|15.397344|15.151860|73.516695| |17.530840|8.803180|7.562869|4.515695|3.611305|4.471011|3.405160|2.890894|2.895158|3.479978|4.521966|2.393371|0.061016|2.226482|2.033503|2.595992|0.049362|1.946102|3.239228|15.641062|13.400952|1.958221|0.051601|2.316183|0.069082|2.289109|0.069161|1.941833|1.829865|0.046083|1.892563|0.049878|2.224129|0.065006|2.206529|4.150410|2.676879|1.835768|3.012456|1.952684|0.056514|1.696875|2.118360|3.599997|4.116208|0.500000| |17.546390|8.784675|9.319129|6.114650|4.309099|5.081557|3.929173|3.193516|3.049231|3.513239|4.582658|2.482850|0.064360|2.230179|2.007612|2.521660|0.047703|1.883590|3.108929|15.435083|13.314485|2.008216|0.053208|2.400174|0.069946|2.449822|0.076241|2.075328|1.902823|0.047787|1.965323|0.052459|2.329193|0.066378|2.316250|4.439970|2.748753|1.871910|3.033927|1.971005|0.057630|1.707500|2.078173|3.480782|4.018260|0.301210|0.500000| |17.584692|8.757853|9.276772|5.030914|3.726189|6.016185|4.315434|3.636557|3.695159|4.629328|6.394001|2.940644|0.073623|2.633576|2.366471|2.934616|0.055188|2.168617|3.529556|17.813869|15.647540|2.342798|0.060922|2.880724|0.086829|2.886567|0.089429|2.354873|2.183679|0.053999|2.278000|0.059628|2.779737|0.081441|2.741443|5.212192|3.216770|2.179566|3.506557|2.307649|0.067120|1.952570|2.500933|4.139098|4.970352|0.301010|0.302159|0.500000| |8.874533|17.553446|12.612662|7.558492|6.249871|5.769587|4.289639|3.356623|3.146689|3.627279|4.899827|2.520448|0.065645|2.342232|2.076240|2.672221|0.050143|2.066637|3.457024|17.247009|13.216966|1.952658|0.052744|2.308219|0.066793|2.241893|0.068242|1.938099|1.797510|0.045560|1.797805|0.047523|2.080595|0.059881|1.992178|3.675029|2.416539|1.699219|2.795766|1.716068|0.048936|1.509667|1.826179|3.066843|3.568517|0.213484|0.212080|0.173075|0.500000| |8.823305|17.600378|12.469968|5.749981|4.801069|7.202045|4.781561|3.861784|3.847386|4.857009|7.259398|2.987849|0.075226|2.812277|2.471775|3.171090|0.058918|2.457739|4.061832|20.733175|15.425905|2.245278|0.059979|2.709750|0.080493|2.546466|0.076708|2.149152|2.019070|0.050636|2.017556|0.052403|2.368702|0.069801|2.230497|4.053412|2.702103|1.909995|3.138607|1.915045|0.054076|1.663857|2.082576|3.472586|4.162003|0.213310|0.172877|0.208440|0.306397|0.500000| |4.901875|5.780833|12.457156|17.590989|8.823199|7.264458|7.294614|4.877883|3.874706|3.889755|4.816371|3.015971|0.082535|2.574325|2.207397|2.730804|0.050645|2.080004|3.392669|18.105064|14.215219|2.249829|0.061808|2.719092|0.074360|2.795437|0.090404|2.429832|2.114926|0.053246|2.079995|0.056127|2.432053|0.066720|2.286962|4.268780|2.677723|1.881951|3.028333|1.829100|0.052466|1.600391|1.864215|3.048858|3.636748|0.108093|0.148473|0.127612|0.149811|0.128134|0.500000| |6.384497|7.619410|12.594692|17.559779|8.885324|5.793112|4.907109|3.632547|3.158708|3.373630|4.310547|2.533110|0.067994|2.252998|1.979207|2.496351|0.046796|1.905795|3.156146|16.102700|12.825496|1.967694|0.053573|2.333941|0.065502|2.366910|0.074351|2.064622|1.852593|0.046962|1.850165|0.049786|2.146137|0.059900|2.064850|3.875843|2.459065|1.716837|2.791854|1.719302|0.049535|1.513004|1.775813|2.950735|3.435769|0.139671|0.210611|0.144857|0.227593|0.150217|0.306290|0.500000| |3.625209|4.478927|7.571174|8.792726|17.522694|4.450601|4.495105|3.449618|2.873298|2.871025|3.384464|2.376313|0.066104|2.149639|1.876304|2.402377|0.044964|1.872308|3.138375|15.976900|11.968832|1.835521|0.051294|2.119117|0.057984|2.114036|0.065228|1.918458|1.719341|0.044272|1.670251|0.045166|1.879778|0.052001|1.773320|3.256818|2.147847|1.533734|2.520155|1.486568|0.042258|1.330991|1.521239|2.530703|2.931402|0.088150|0.106586|0.089864|0.137454|0.106503|0.213116|0.213503|0.500000| |4.274124|5.993970|9.356259|8.791637|17.548451|5.035028|4.548632|3.473327|3.011190|3.153365|3.880599|2.449008|0.066477|2.270088|1.980984|2.566531|0.047926|2.025403|3.414473|17.299019|12.438540|1.865790|0.051785|2.165285|0.060405|2.102762|0.064036|1.880797|1.718181|0.044088|1.672863|0.044666|1.891496|0.053314|1.778169|3.242127|2.167425|1.551425|2.561883|1.512258|0.042785|1.349640|1.574913|2.630966|3.058322|0.105288|0.118200|0.101844|0.204027|0.144313|0.172935|0.212427|0.301012|0.500000| |3.720258|4.965116|9.318204|8.765324|17.575067|5.947459|6.308969|4.544334|3.630999|3.577854|4.254095|2.889709|0.080247|2.612932|2.218716|2.835692|0.052284|2.250610|3.740268|19.999555|13.730527|2.106189|0.059286|2.468301|0.067290|2.389060|0.073513|2.147353|1.924160|0.049240|1.838371|0.049096|2.079684|0.057998|1.913580|3.458480|2.312471|1.670824|2.742646|1.584772|0.044596|1.410105|1.635364|2.699089|3.198166|0.089379|0.102442|0.095054|0.142322|0.124691|0.208549|0.173250|0.300639|0.302159|0.500000| |3.791885|4.611233|9.639543|7.392940|6.521046|8.845595|17.770642|9.012354|5.644583|4.986942|5.650132|4.101980|0.115744|3.354731|2.729811|3.318624|0.060162|2.564821|4.096284|23.828105|16.907298|2.742817|0.077149|3.393504|0.089552|3.354935|0.108687|2.921907|2.493144|0.062340|2.353824|0.062711|2.743989|0.075067|2.448236|4.412736|2.863501|2.067358|3.318970|1.907330|0.053649|1.665661|1.944553|3.135370|3.861451|0.087616|0.104126|0.105817|0.115011|0.116921|0.251249|0.146836|0.152044|0.138961|0.219685|0.500000| |2.889103|3.260036|5.699295|3.905788|3.635419|5.629764|8.992651|17.684262|8.933291|5.690573|4.987246|6.987253|0.229647|4.912617|3.698967|4.245547|0.074843|3.221260|4.916168|31.929693|22.248535|3.896312|0.114689|4.982258|0.119260|4.683231|0.148604|4.165206|3.385703|0.083275|2.983627|0.078293|3.440046|0.092269|2.847178|4.900469|3.320611|2.486164|3.954619|2.127647|0.058519|1.852344|2.146149|3.388189|4.330876|0.069792|0.077422|0.084981|0.080853|0.089198|0.121356|0.090091|0.090974|0.087865|0.116910|0.220642|0.500000| |3.674761|3.916749|5.705295|3.266286|2.864190|5.628632|4.981469|5.691490|8.892718|17.711307|9.029719|6.894674|0.139593|6.396208|5.257396|5.871374|0.102221|4.168078|6.111933|36.885044|30.524272|4.413120|0.109827|6.264159|0.222507|4.770255|0.132909|3.592287|3.516373|0.082848|3.428418|0.082441|4.309386|0.140428|3.559615|5.912433|4.228369|3.125527|5.001345|2.821231|0.075786|2.337173|3.177252|4.933617|7.077867|0.091832|0.088788|0.118912|0.090128|0.121206|0.089836|0.081320|0.069383|0.076535|0.083791|0.108094|0.124419|0.500000| |6.541688|7.423548|9.634100|4.621418|3.763835|8.828209|5.653606|4.996091|5.650447|9.056518|17.783936|4.093443|0.096753|3.734895|3.212772|3.945893|0.071972|2.969232|4.706996|25.631000|19.869383|2.917231|0.075789|3.746618|0.116743|3.407240|0.102734|2.712255|2.554290|0.062361|2.568684|0.065104|3.152371|0.095891|2.881355|5.151716|3.410406|2.407906|3.889275|2.376872|0.066511|2.003861|2.635546|4.270442|5.499415|0.152662|0.139133|0.219903|0.147325|0.253136|0.117731|0.115708|0.087231|0.103024|0.104691|0.123511|0.108211|0.221926|0.500000| |2.028673|2.022380|3.071304|2.134526|1.934431|2.622540|2.906004|3.460384|3.679599|3.158084|2.722980|4.351339|0.127796|3.460756|3.302580|3.641046|0.069218|2.412754|3.735590|19.046230|26.864077|5.747370|0.149984|5.609020|0.126420|8.580577|0.198775|17.584468|8.560965|0.198654|7.592617|0.252361|6.862988|0.140746|5.297123|8.112535|6.099202|4.835115|6.953475|3.338399|0.089226|2.907969|2.950946|4.419522|5.701822|0.051432|0.055517|0.061947|0.050962|0.055534|0.064664|0.055158|0.051188|0.049568|0.056168|0.075337|0.101246|0.085581|0.068428|0.500000| |2.083789|2.142311|3.314219|2.286136|2.106340|2.911369|3.358084|4.295520|4.605450|3.633806|3.014383|6.097236|0.202761|4.551330|4.128316|4.390952|0.081044|2.923439|4.422112|23.987160|31.402468|7.547733|0.232625|7.188782|0.143433|8.623102|0.197721|17.544220|8.537534|0.199064|5.758846|0.155594|5.598707|0.129864|4.083099|6.359173|4.842561|3.958581|6.037401|2.805626|0.074323|2.460701|2.640652|4.014904|5.255290|0.052575|0.056387|0.063097|0.053921|0.059427|0.069071|0.057843|0.055232|0.053760|0.062539|0.086157|0.132238|0.096489|0.073719|0.301613|0.500000| |1.676395|1.589858|2.203487|1.492809|1.359881|1.768440|1.747689|1.886312|2.104728|2.142596|1.950052|2.278177|0.059146|2.198492|2.371273|2.896940|0.059716|1.869293|3.036490|13.111539|20.907309|2.922634|0.070657|2.776847|0.081940|2.945005|0.073693|2.839372|3.310001|0.088053|4.297594|0.114650|3.844293|0.110078|4.511008|6.926704|9.133432|6.463437|13.590247|8.775962|0.174148|17.631737|6.644369|10.909624|9.057739|0.045027|0.045008|0.051472|0.040526|0.044866|0.042713|0.040324|0.035866|0.036491|0.038232|0.044985|0.050649|0.064266|0.054026|0.079204|0.068371|0.500000| |1.723328|1.604175|2.197892|1.493058|1.350333|1.737751|1.694661|1.792620|1.974576|2.044317|1.906935|2.069338|0.053688|1.975987|2.081613|2.566380|0.052444|1.691420|2.767556|12.023989|17.463238|2.477478|0.060746|2.465140|0.073244|2.651863|0.068781|2.487207|2.736717|0.071765|3.462576|0.094517|3.381336|0.096643|4.208108|7.069368|7.607606|4.621546|8.406441|8.970920|0.219161|17.618495|6.801078|13.072522|8.492964|0.046612|0.046528|0.053014|0.040960|0.044989|0.042620|0.040771|0.035699|0.036326|0.037597|0.043792|0.047783|0.060869|0.053518|0.070090|0.060600|0.301948|0.500000| 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