Version2.0 2020-07-19T16:28:09Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 26-Apr-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)S(=O)(=O)N(CCc2cccs2)CC(=O)N[C@H]3CCCC[C@@H]3OCc4ccccc4 C39266773 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)S(=O)(=O)N(CCc2cccs2)CC(=O)N[C@H]3CCCC[C@@H]3OCc4ccccc4 C01[X(C28H34N2O4S2)] 204 C1 616 O=C(CN(S(=O)(=O)c1ccc(cc1)C)CCc1cccs1)N[C@H]1CCCC[C@@H]1OCc1ccccc1 O=C(CN(S(=O)(=O)c1ccc(cc1)C)CCc1cccs1)N[C@H]1CCCC[C@@H]1OCc1ccccc1 Cc1ccc(cc1)[S](=O)(=O)N(CCc2sccc2)CC(=O)N[C@H]3CCCC[C@@H]3OCc4ccccc4 InChIKey=DMPSHYJCHCQDLV-SVBPBHIXSA-N InChI=1S/C28H34N2O4S2/c1-22-13-15-25(16-14-22)36(32,33)30(18-17-24-10-7-19-35-24)20-28(31)29-26-11-5-6-12-27(26)34-21-23-8-3-2-4-9-23/h2-4,7-10,13-16,19,26-27H,5-6,11-12,17-18,20-21H2,1H3,(H,29,31)/t26-,27-/m0/s1 InChI=1/C28H34N2O4S2/c1-22-13-15-25(16-14-22)36(32,33)30(18-17-24-10-7-19-35-24)20-28(31)29-26-11-5-6-12-27(26)34-21-23-8-3-2-4-9-23/h2-4,7-10,13-16,19,26-27H,5-6,11-12,17-18,20-21H2,1H3,(H,29,31)/t26-,27-/m0/s1/f/h29H Cc1ccc(cc1)S(=O)(=O)N(CCc2cccs2)CC(=O)N[C@H]3CCCC[C@@H]3OCc4ccccc4 C01[X(C28H34N2O4S2)] 204 C01 616 O=C(CN(S(=O)(=O)c1ccc(cc1)C)CCc1cccs1)N[C@H]1CCCC[C@@H]1OCc1ccccc1 O=[C]([NH][C@H]1CCCC[C@@H]1OC[C]1[CH][CH][CH][CH][CH]1)CN([S@@]([O])(=O)[C]1[CH][CH][C]([CH][CH]1)C)CCC1=[CH][CH]=CS1 C[C]1[CH][CH][C]([CH][CH]1)[S]([O])(=O)N(CCc2sccc2)CC(=O)N[C@H]3CCCC[C@@H]3OC[C]4[CH][CH][CH][CH][CH]4 InChIKey=DMPSHYJCHCQDLV-SVBPBHIXSA-N InChI=1S/C28H34N2O4S2/c1-22-13-15-25(16-14-22)36(32,33)30(18-17-24-10-7-19-35-24)20-28(31)29-26-11-5-6-12-27(26)34-21-23-8-3-2-4-9-23/h2-4,7-10,13-16,19,26-27H,5-6,11-12,17-18,20-21H2,1H3,(H,29,31)/t26-,27-/m0/s1 InChI=1/C28H34N2O4S2/c1-22-13-15-25(16-14-22)36(32,33)30(18-17-24-10-7-19-35-24)20-28(31)29-26-11-5-6-12-27(26)34-21-23-8-3-2-4-9-23/h2-4,7-10,13-16,19,26-27H,5-6,11-12,17-18,20-21H2,1H3,(H,29,31)/t26-,27-/m0/s1/f/h29H 4462.6068039027 -2283.4195521 1-A 21555.8092 140 476 616 |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|A| -92.20841 -91.96166 -20.56804 -20.55431 -20.54993 -20.52152 -15.60141 -15.57554 -11.34125 -11.28515 -11.28270 -11.27810 -11.27315 -11.26463 -11.26229 -11.26183 -11.25969 -11.25560 -11.25419 -11.25153 -11.24016 -11.23727 -11.23682 -11.23538 -11.23229 -11.23202 -11.23176 -11.23083 -11.22987 -11.22902 -11.22853 -11.22760 -11.22366 -11.22283 -11.21833 -11.21299 -9.17971 -8.97216 -6.86619 -6.86572 -6.86457 -6.65476 -6.65380 -6.65217 -1.47625 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 14190.8606 27225.5936 35998.4041 0.99978 -0.02042 0.00414 0.02038 0.99975 0.00921 -0.00433 -0.00912 0.99995 1 0.00610 0.00318 0.00241 0.12718 0.06629 0.05013 11.17 22.35 25.90 32.64 38.40 39.78 51.93 56.10 65.02 72.49 85.99 93.83 107.07 114.13 134.12 144.48 166.29 175.47 193.09 216.76 244.41 279.33 309.05 335.13 343.31 394.81 408.60 422.01 435.10 458.12 488.74 494.12 502.23 513.26 524.36 577.73 603.33 633.05 646.05 654.32 659.41 668.48 694.54 699.23 754.64 783.42 789.62 813.78 829.84 843.15 857.71 871.40 876.68 896.17 956.67 978.09 978.94 1001.11 1006.77 1035.41 1080.22 1115.62 1124.37 1155.87 1160.27 1189.84 1206.79 1208.91 1243.94 1267.95 1302.14 1305.88 1323.84 1330.30 1333.12 1336.82 1374.64 1377.57 1387.26 1413.49 1458.38 1477.57 1486.59 1494.93 1507.34 1526.57 1565.68 1573.32 1577.32 1578.96 1582.12 1582.59 1590.59 1600.40 1612.12 1616.71 1625.82 1626.04 1640.94 1652.60 1664.84 1687.50 1688.88 1703.08 1714.53 1716.77 1733.46 1735.16 1751.24 1770.40 1790.92 1803.12 1809.05 1829.11 1846.17 1854.85 1874.17 1892.23 1895.45 1918.64 1919.13 1928.69 1942.20 1963.63 1995.36 1999.12 2010.18 2019.98 2036.83 2067.75 2079.40 2084.56 2101.51 2103.36 2127.48 2135.91 2140.59 2168.38 2171.91 2186.79 2188.96 2200.73 2215.06 2224.07 2242.08 2245.75 2252.84 2254.13 2296.18 2334.91 2345.94 2347.37 2354.70 2355.47 2356.87 2361.39 2368.78 2370.59 2379.91 2386.37 2407.90 2411.95 2415.01 2478.53 2542.14 2545.96 2572.84 2601.36 2611.89 2808.51 4554.66 4585.96 4591.98 4599.24 4602.39 4612.38 4615.95 4636.80 4639.15 4656.43 4660.32 4663.90 4675.95 4695.68 4696.19 4730.68 4734.66 4738.13 4750.56 4772.68 4819.46 4820.33 4834.55 4847.92 4849.02 4856.69 4859.94 4869.45 4874.33 4894.28 4916.76 4917.62 4953.18 5540.24 0.625655 0.658389 0.659334 0.553524 -2282.793897 -2282.761163 -2282.760219 -2282.866028 3.548851D-04 MUNgauss RevisionA2.0 retrievium 19-Jul-2020 DUDE Cc1ccc(cc1)S(=O)(=O)N(CCc2cccs2)CC(=O)N[C@H]3CCCC[C@@H]3OCc4ccccc4 C39266773 RHF 6-31G(d) (6D,10F) C1 526.196001 |X|Y|Z| 80.806799 115.451594 41.194109 72.704448 32 6 7 8 16 27 2 1 2 |36.858105| |12.619716|36.858105| |7.571485|13.655652|36.858105| |5.024821|7.889512|13.827259|36.858105| |4.444783|6.861210|7.979438|13.699673|36.858105| |5.009423|7.895170|6.878483|7.901396|13.776114|36.858105| |7.544460|13.737175|7.959403|6.868645|7.968940|13.735578|36.858105| |3.147960|4.194007|4.746443|6.966537|10.787632|6.981885|4.741107|388.023441| |2.879092|3.701566|3.838470|4.938888|7.381993|6.618036|4.469780|94.478305|73.516695| |2.864675|3.672266|4.332600|6.206582|7.272355|5.054219|3.875229|94.153847|13.682893|73.516695| |2.853021|3.649662|4.177884|5.761549|7.066200|5.179649|3.935088|82.707344|13.396660|13.820619|53.358707| |2.832563|3.550104|3.832417|4.801178|5.857070|5.002238|3.926816|50.514596|11.026725|8.863501|17.708504|36.858105| |2.403239|2.898535|3.004446|3.575964|4.350585|4.066546|3.272307|38.919998|10.363831|7.332557|10.300361|12.399988|36.858105| |2.292832|2.681307|2.695225|3.042860|3.565049|3.544149|3.019975|28.302440|7.563862|5.618422|6.752378|7.550959|12.658574|36.858105| |2.277842|2.621709|2.546046|2.791378|3.288654|3.465936|3.020006|24.892561|6.949470|4.989981|5.389567|5.415813|7.442616|14.137232|36.858105| |2.092217|2.335132|2.256586|2.407015|2.725588|2.871505|2.621227|19.977717|5.384939|4.165951|4.301601|4.110233|5.028197|8.180265|13.258210|36.858105| |1.992099|2.210615|2.179777|2.328041|2.568745|2.622642|2.413056|18.932151|4.920220|4.020446|4.232895|4.054216|4.804637|7.654599|8.236876|14.180970|36.858105| |2.072123|2.352684|2.394205|2.637189|2.907940|2.839492|2.540070|22.294566|5.620862|4.700410|5.386176|5.478449|6.711522|10.953690|7.480450|7.472384|11.030538|388.023441| |2.425772|2.967180|3.430884|4.480505|4.846608|3.765742|3.075094|50.524451|9.449494|12.189453|17.711416|7.581288|5.892673|4.154871|3.316690|2.766254|2.810413|25.832305|36.858105| |2.462018|2.963976|3.568025|4.565269|4.377876|3.392328|2.918671|37.784342|7.085605|9.896755|10.541401|5.650730|4.308419|3.410726|2.808783|2.446028|2.534561|22.840648|12.492390|36.858105| |2.381362|2.803322|3.320543|4.015410|3.795081|3.078429|2.731213|30.233175|6.022302|7.468608|8.286852|5.320036|4.105480|3.432292|2.804101|2.501362|2.661492|24.415707|8.022862|15.832195|73.516695| |2.477387|2.965451|3.670211|4.701149|4.250485|3.257058|2.850068|35.341357|6.574905|10.605515|8.008886|4.318014|3.452003|2.814512|2.411610|2.122551|2.168638|18.718878|7.848375|14.135055|15.011273|53.358707| |2.428286|2.814757|3.514352|4.183813|3.572081|2.849222|2.610732|26.836672|5.263349|7.734028|5.757169|3.437597|2.813292|2.408002|2.107234|1.900046|1.954058|16.495233|5.003376|7.756045|12.028276|17.811785|36.858105| |2.656575|3.073017|3.920866|4.556121|3.725289|2.979702|2.782540|26.335046|5.163191|7.172520|5.724395|3.549038|2.832555|2.465756|2.162541|1.962215|2.025720|17.053017|4.652981|7.100390|12.423540|12.469549|17.538789|0.500000| |2.053049|2.314349|2.763222|3.154948|2.822524|2.352304|2.177763|21.537351|4.450289|6.027619|4.699653|2.956203|2.529756|2.211767|1.936143|1.774059|1.849337|15.614602|4.207171|6.083193|10.769017|10.492029|12.415766|0.246171|36.858105| |1.951119|2.141437|2.531317|2.765259|2.443044|2.089036|1.984615|17.899820|3.788331|4.927571|3.773448|2.459874|2.136170|1.918377|1.710828|1.591291|1.658312|13.682141|3.177409|4.191895|7.690012|6.778223|7.513648|0.190416|12.449712|36.858105| |1.955085|2.129759|2.522903|2.723399|2.383090|2.045340|1.958393|17.246628|3.665695|4.861552|3.474763|2.241454|1.959651|1.758091|1.589671|1.474706|1.517529|12.320525|2.850618|3.572172|6.198773|6.027924|6.418700|0.158930|7.546787|12.454873|36.858105| |2.268972|2.499499|3.055273|3.308967|2.788039|2.348745|2.255583|19.670909|4.088375|5.651551|3.849759|2.433295|2.085119|1.853107|1.681153|1.545114|1.574107|12.744586|3.072074|3.847471|6.425186|6.844165|7.565872|0.192094|6.496399|7.561749|12.447293|36.858105| |2.430546|2.782821|3.483183|4.036357|3.390452|2.739354|2.548579|24.802119|4.953625|7.505180|4.841905|2.907571|2.444586|2.112448|1.892656|1.710243|1.734287|14.258645|3.965082|5.140503|7.911367|10.673563|12.465682|0.247893|7.588378|6.448290|7.510293|12.462710|36.858105| |2.207169|2.519607|3.061190|3.565087|3.141722|2.569080|2.361968|24.043952|4.894812|7.533551|4.626214|2.757030|2.378293|2.042599|1.832434|1.652063|1.670856|13.722367|3.898329|4.796480|7.206497|9.830296|8.933069|0.175081|6.938452|5.724579|6.814093|8.847800|17.472851|0.500000| |2.869037|3.367070|4.417489|5.228872|4.123290|3.237098|3.017651|28.552120|5.549831|8.831212|5.201531|3.075755|2.541884|2.186012|1.978631|1.771884|1.772471|14.424089|3.961761|4.799889|7.239698|9.278109|7.986724|0.202957|5.096527|4.498140|5.049628|7.887088|13.534989|0.258755|73.516695| |2.721949|3.152347|3.942364|4.533952|3.801836|3.085459|2.880811|26.719443|5.401518|8.582829|4.567128|2.726123|2.329527|2.009965|1.847290|1.652894|1.635775|13.110860|3.426735|3.812762|5.773088|6.849627|5.272613|0.132495|3.941391|3.594909|4.183374|5.945173|7.994319|0.215223|24.075574|36.858105| |3.189596|3.684641|4.604205|4.974165|4.077391|3.403099|3.281117|26.300874|5.438700|7.968725|4.290716|2.632332|2.252623|1.969017|1.841263|1.648494|1.613276|12.712096|3.036298|3.246218|5.046789|5.366362|4.011616|0.108667|3.119336|2.920190|3.292448|4.416737|5.185279|0.134320|14.191034|12.629712|36.858105| |3.387674|3.696644|4.561734|4.429473|3.552946|3.096978|3.146371|21.986662|4.661463|6.225184|3.726405|2.375903|2.039103|1.822703|1.718870|1.560223|1.531941|11.939402|2.621834|2.846850|4.595912|4.559171|3.576383|0.101267|2.867602|2.805546|3.193789|4.285768|4.497083|0.112153|11.212166|7.582052|13.684985|36.858105| |3.770022|3.911926|4.512287|4.073506|3.372521|3.097758|3.283656|20.216242|4.426842|5.493078|3.388580|2.217592|1.925753|1.745805|1.671537|1.524284|1.484928|11.393678|2.332014|2.467692|4.042708|3.794874|2.901722|0.083202|2.401679|2.356932|2.612926|3.300798|3.417138|0.087102|7.871780|5.028519|7.904697|13.782556|36.858105| |3.939456|4.159410|4.506276|4.114515|3.590369|3.407604|3.624502|21.296006|4.775801|5.727281|3.437336|2.252974|1.977664|1.789051|1.730283|1.566762|1.508621|11.490891|2.320204|2.376216|3.859139|3.588204|2.636354|0.074689|2.197647|2.112820|2.295086|2.811740|3.014106|0.078876|6.830234|4.436263|6.837924|7.937157|13.714919|36.858105| |3.646912|4.153123|4.557610|4.545779|4.138145|3.834387|3.843070|25.140079|5.622675|6.992609|3.864165|2.467864|2.170287|1.926733|1.855478|1.656398|1.586181|12.173947|2.591402|2.592672|4.113052|3.941474|2.795315|0.077490|2.303545|2.159373|2.329580|2.846412|3.195213|0.085463|7.360034|5.016778|7.907899|6.886998|7.947567|13.779241|36.858105| |3.297846|3.899237|4.612245|5.063410|4.489086|3.833842|3.628293|28.840637|6.130729|8.741339|4.393405|2.693727|2.337753|2.032491|1.921467|1.703314|1.644455|12.852470|3.010999|3.047202|4.704802|4.826774|3.387312|0.091567|2.707745|2.490959|2.716127|3.412676|4.030438|0.108876|9.885990|7.560956|13.747327|7.959353|6.882571|7.933937|13.719339|36.858105| |17.550173|8.872104|6.749389|4.618292|3.993605|4.308376|5.896061|20.840254|4.752671|4.912181|3.574778|2.547174|2.185378|2.067827|2.045135|1.882986|1.801390|13.370978|2.282972|2.336640|3.989864|3.270338|2.388950|0.072062|2.020556|1.941617|1.979235|2.319745|2.454321|0.061983|5.208752|2.839905|3.438989|3.797175|4.475539|4.695941|4.078139|3.545189|0.500000| |17.586568|8.834233|5.571566|4.168925|3.971080|4.742518|7.236624|20.728633|4.914646|4.664891|3.592198|2.670893|2.324437|2.254126|2.286474|2.114253|1.988450|14.416911|2.243651|2.236837|3.856443|3.031490|2.162814|0.064913|1.859265|1.765912|1.764454|2.016162|2.156081|0.055158|4.443719|2.405020|2.781712|2.908050|3.241643|3.478301|3.276003|2.932650|0.301405|0.500000| |17.550332|8.856560|6.749449|4.611138|3.983887|4.291160|5.869671|20.769380|4.706565|4.740147|3.753866|2.781751|2.347065|2.268375|2.239876|2.087546|2.014337|14.901107|2.375002|2.456470|4.309467|3.338552|2.444471|0.075565|2.082669|1.998332|1.984436|2.287234|2.413212|0.060296|4.974404|2.593651|2.957938|3.183107|3.449654|3.435468|3.163718|2.955103|0.302179|0.301529|0.500000| |7.031417|8.891217|17.720299|8.984940|5.670489|4.955293|5.653700|27.905588|5.719190|6.724362|4.921255|3.322276|2.654338|2.411311|2.272335|2.051782|2.008780|15.667879|3.131817|3.395513|5.722887|4.881352|3.630301|0.115366|2.851489|2.681912|2.706902|3.342971|3.680488|0.087684|8.361693|4.100075|4.828101|5.184426|5.084382|4.670643|4.415001|4.484097|0.191964|0.140710|0.191785|0.500000| |4.103127|5.629780|8.954286|17.756434|8.868970|5.627728|4.953162|47.057232|8.033591|12.106329|8.061428|4.613710|3.443476|2.891946|2.601271|2.261720|2.224887|18.245467|5.004873|5.515019|8.282919|8.332793|5.423797|0.164750|3.795901|3.248767|3.203021|4.020737|5.209964|0.123016|12.758656|5.606721|5.682578|4.855986|4.138163|3.980553|4.401877|5.307399|0.108953|0.096026|0.108637|0.217143|0.500000| |4.082071|5.625701|4.958373|5.635633|8.937096|17.760769|8.888156|47.430072|13.797511|8.402926|6.736832|4.968553|4.367249|3.814831|3.852323|3.101288|2.752373|20.861424|3.623558|3.140726|5.077135|4.046084|2.576170|0.073637|2.176347|1.929590|1.883811|2.127102|2.469446|0.065509|5.056847|2.755158|2.981659|2.701356|2.705868|2.995897|3.396501|3.387913|0.099685|0.112713|0.099208|0.107625|0.123964|0.500000| |6.977943|8.915622|5.649543|4.949735|5.667045|8.945476|17.716789|27.885406|6.983917|5.810885|4.555682|3.439341|3.007097|2.867323|2.965174|2.613201|2.368820|17.209214|2.684608|2.534493|4.269087|3.354291|2.277046|0.066974|1.942278|1.787112|1.764971|2.004818|2.229133|0.057974|4.596388|2.502482|2.833290|2.754310|2.926700|3.260067|3.400177|3.137583|0.152340|0.221706|0.151516|0.124096|0.107528|0.215147|0.500000| |2.721581|3.321247|3.646035|4.414017|4.871181|4.181465|3.509524|38.546190|8.242453|7.576176|12.626901|17.609093|8.764677|6.830946|4.857921|3.980533|4.182794|42.855574|7.194995|6.159220|11.519044|6.054149|3.630171|0.106535|3.177127|2.634038|2.341917|2.508660|2.961480|0.076985|5.427759|2.642702|2.518531|2.309491|2.141873|2.136709|2.298810|2.511728|0.068113|0.070756|0.076046|0.090644|0.122061|0.111830|0.086062|0.500000| |3.268780|4.214889|4.389586|5.380146|6.922854|6.330993|4.851756|49.191808|11.099726|8.327837|12.466388|17.613749|8.843607|6.948428|5.634589|4.265248|4.041800|35.498605|5.619080|4.658865|7.908621|5.206939|3.178054|0.093085|2.704395|2.310164|2.136713|2.350025|2.766129|0.072064|5.343052|2.685101|2.674723|2.445182|2.321827|2.380610|2.591392|2.768039|0.079620|0.085975|0.088656|0.102127|0.133442|0.172300|0.116408|0.304778|0.500000| |2.415738|2.930811|2.985144|3.559263|4.528857|4.373198|3.410198|42.336475|13.193031|7.740156|9.404865|8.863185|17.610533|9.001102|7.084254|4.661842|4.174251|36.428411|5.269356|3.841998|6.291732|4.401118|2.639916|0.073082|2.356936|2.006377|1.873292|2.008617|2.358862|0.064364|4.426192|2.333656|2.284131|2.050111|1.950928|2.034854|2.262806|2.422809|0.061268|0.065501|0.064421|0.072446|0.093587|0.138089|0.087846|0.173311|0.212225|0.500000| |2.161399|2.565743|2.703747|3.213779|3.756605|3.425360|2.822330|34.699839|8.952881|7.073225|9.373203|8.814090|17.545662|8.925792|5.761554|4.335336|4.370705|45.132218|6.435155|4.528097|7.667463|4.844700|2.866348|0.078651|2.638171|2.199025|1.999029|2.095700|2.463693|0.067453|4.449782|2.294030|2.174232|1.959752|1.833372|1.869110|2.051762|2.234952|0.055366|0.057828|0.058896|0.067688|0.088838|0.100327|0.072213|0.209897|0.173523|0.303648|0.500000| |2.349858|2.720423|2.595848|2.843648|3.441291|3.760969|3.227987|25.980769|7.666541|5.145576|5.280491|5.020841|6.651628|8.934916|17.729366|8.583316|5.732396|37.767928|3.189224|2.677864|4.648437|3.193766|2.046290|0.058040|1.863796|1.651280|1.552221|1.653881|1.866622|0.050394|3.509588|1.866765|1.880624|1.748528|1.712742|1.794809|1.938862|1.991713|0.058627|0.066200|0.063180|0.063675|0.072585|0.121586|0.089402|0.119402|0.150570|0.205555|0.142993|0.500000| |2.015193|2.212477|2.106972|2.211503|2.488992|2.671081|2.488285|17.929425|4.867885|3.788620|3.734715|3.419913|4.019640|5.708495|8.579314|17.743107|8.921829|37.745905|2.418437|2.165835|3.918477|2.605211|1.732004|0.049668|1.620297|1.468197|1.370984|1.436942|1.578144|0.042406|2.915675|1.542584|1.550261|1.475798|1.453645|1.500077|1.578742|1.607615|0.050476|0.057274|0.055751|0.053423|0.057479|0.080508|0.070275|0.091598|0.100180|0.108160|0.098257|0.201438|0.500000| |1.854663|2.023579|1.995718|2.103648|2.277375|2.320728|2.176163|16.595468|4.265145|3.597165|3.666581|3.376408|3.824223|5.392136|5.684155|8.767479|17.789015|55.301840|2.488322|2.298604|4.334693|2.706790|1.819873|0.052516|1.741937|1.579344|1.443792|1.487348|1.620535|0.043355|2.926754|1.520579|1.499089|1.434095|1.392731|1.408596|1.470107|1.519528|0.046813|0.051506|0.052482|0.051699|0.056185|0.066927|0.059646|0.098505|0.093575|0.094115|0.099883|0.122490|0.203629|0.500000| |2.212505|2.647506|2.972034|3.692029|4.012086|3.317952|2.764783|38.878363|8.231574|8.999578|12.505947|7.491960|6.644997|4.646316|3.555395|2.974809|3.088998|29.763641|17.645938|9.025386|13.450534|7.998531|4.209654|0.110684|3.826884|2.949611|2.603792|2.720973|3.360151|0.092376|5.833190|2.885460|2.591908|2.288856|2.065600|2.056757|2.267096|2.574850|0.057634|0.057545|0.060671|0.076060|0.110633|0.090865|0.068506|0.211673|0.147529|0.153908|0.230041|0.092398|0.071180|0.075602|0.500000| |2.287377|2.776644|3.184853|4.125038|4.504366|3.544667|2.892281|49.814197|9.679463|14.183161|12.342495|5.719987|4.994630|3.616296|2.997191|2.511429|2.515332|22.299869|17.673162|8.790183|10.550679|10.108699|4.744105|0.116787|4.040603|3.068487|2.832050|3.054772|4.002377|0.114684|7.103757|3.607041|3.137165|2.644247|2.339519|2.347620|2.670389|3.156464|0.060622|0.059046|0.061504|0.081128|0.128284|0.096209|0.070701|0.144776|0.127547|0.134115|0.153248|0.081922|0.061917|0.062346|0.302179|0.500000| |2.558658|3.108817|3.861201|5.126829|4.714511|3.518539|3.018999|41.130832|7.377388|14.233540|8.306709|4.253083|3.443871|2.768834|2.403845|2.092904|2.104021|17.890820|7.591789|9.518085|10.938948|25.998324|9.026174|0.192433|5.845390|4.208757|4.033634|4.770363|7.668326|0.211473|13.640200|6.003068|4.562837|3.665474|3.018524|2.897445|3.281527|4.175098|0.069425|0.063920|0.069097|0.102846|0.188383|0.089113|0.072004|0.115358|0.106437|0.092485|0.097467|0.066039|0.052701|0.053357|0.151728|0.227094|0.500000| |2.011624|2.267574|2.673062|3.047829|2.777493|2.333623|2.153730|21.347454|4.450416|5.760529|4.872830|3.146423|2.694636|2.368675|2.046421|1.883313|1.989444|17.081878|4.451477|6.633581|13.372724|9.575450|8.881350|0.214572|17.619038|8.809545|5.496707|4.865728|5.533392|0.142138|7.492140|3.345445|2.764768|2.563175|2.198488|2.036965|2.132652|2.462982|0.054362|0.050897|0.057049|0.075757|0.099646|0.060364|0.053570|0.096706|0.078707|0.068421|0.078932|0.054069|0.047452|0.052129|0.117063|0.114052|0.145098|0.500000| |1.909828|2.152374|2.532352|2.907346|2.669432|2.238575|2.054735|21.005869|4.402974|6.027320|4.501829|2.800383|2.458951|2.134421|1.873268|1.711003|1.775423|14.945217|4.132883|5.548088|9.209262|9.675143|8.883687|0.174212|17.500925|8.832083|6.810084|5.730132|6.897095|0.207673|8.366635|3.886192|3.023288|2.724897|2.289232|2.120045|2.250069|2.662339|0.052412|0.048446|0.053276|0.071664|0.095827|0.058240|0.051213|0.081946|0.070655|0.064343|0.072192|0.050343|0.043498|0.046411|0.105161|0.115896|0.161085|0.302932|0.500000| |2.047432|2.228992|2.643153|2.833040|2.466873|2.121331|2.040500|17.594451|3.723228|4.726942|3.734257|2.483762|2.133881|1.939308|1.733061|1.622005|1.697031|13.957645|3.059439|4.042639|7.743224|6.240666|6.778007|0.202363|8.847448|17.503979|8.851771|6.788874|5.650911|0.131960|7.630629|3.377948|2.846988|2.805992|2.382390|2.119922|2.136639|2.428738|0.056403|0.051213|0.059013|0.078923|0.091806|0.054055|0.051011|0.074826|0.065501|0.055328|0.060381|0.046287|0.041587|0.045046|0.079280|0.080166|0.107615|0.214250|0.173456|0.500000| |1.761912|1.916973|2.221227|2.408467|2.173911|1.887913|1.795274|16.078658|3.469942|4.382592|3.398870|2.253422|1.997602|1.811391|1.619086|1.517397|1.589236|13.069708|2.873399|3.653402|6.810376|5.615637|5.485693|0.140370|8.840473|17.543032|8.812442|5.499738|4.841159|0.128157|6.429152|3.040677|2.525364|2.433393|2.085828|1.890876|1.932022|2.200274|0.048636|0.044730|0.050138|0.064792|0.076825|0.048963|0.045348|0.067114|0.058589|0.052091|0.057609|0.043290|0.038968|0.042296|0.075988|0.077570|0.098845|0.212036|0.214004|0.303634|0.500000| |1.864317|1.995113|2.332270|2.456749|2.155372|1.881979|1.826372|15.352742|3.312446|4.253963|3.072631|2.021310|1.782377|1.620763|1.477821|1.382340|1.423237|11.430511|2.471396|3.014275|5.331161|4.863949|4.828628|0.128250|5.490447|8.797569|17.542069|8.836305|5.486994|0.139693|7.423893|3.606473|2.980028|2.992518|2.495697|2.176288|2.170476|2.476238|0.052703|0.046871|0.052877|0.070153|0.078528|0.048245|0.046086|0.058697|0.054036|0.047413|0.050286|0.040095|0.035880|0.037832|0.063535|0.067908|0.091876|0.123101|0.139361|0.214781|0.210354|0.500000| |1.821858|1.989192|2.327458|2.535913|2.266708|1.952962|1.854588|16.773910|3.601417|4.800625|3.348733|2.146447|1.905443|1.702019|1.540865|1.426450|1.463976|11.873199|2.784479|3.394694|5.761943|5.745284|5.616326|0.131706|6.778804|8.852781|17.497272|8.842044|6.749127|0.200169|8.224636|4.093927|3.167604|2.997972|2.468211|2.202112|2.265187|2.656275|0.051286|0.046044|0.050904|0.068270|0.082102|0.050450|0.046648|0.061680|0.056487|0.050930|0.054426|0.041924|0.036880|0.038664|0.070937|0.078670|0.109627|0.139404|0.200060|0.173765|0.215130|0.303563|0.500000| |2.457294|2.679717|3.318183|3.487479|2.859297|2.421048|2.365901|19.451306|4.037657|5.419054|3.828799|2.464275|2.087023|1.873855|1.705054|1.574389|1.606426|12.953124|2.973266|3.736392|6.435618|6.336118|6.880512|0.206666|5.711853|6.798863|8.820452|17.522887|8.940320|0.174424|12.963534|5.299738|4.324612|4.459318|3.471771|2.894941|2.856513|3.339837|0.069849|0.059968|0.069804|0.104186|0.117173|0.060241|0.058233|0.071202|0.066991|0.055563|0.057646|0.046484|0.040709|0.042249|0.073489|0.080160|0.120886|0.127660|0.132536|0.199577|0.139261|0.213968|0.173338|0.500000| |2.207048|2.402905|2.896233|3.083048|2.622250|2.241192|2.169018|18.385124|3.881743|5.320853|3.492241|2.217649|1.926529|1.719394|1.576230|1.450349|1.467667|11.746145|2.740173|3.274506|5.417629|5.670612|5.512244|0.141478|4.862241|5.498091|8.803594|17.541855|8.860371|0.213635|12.669199|6.374926|4.747780|4.709700|3.549513|2.969193|2.977237|3.572801|0.063625|0.054665|0.061249|0.088182|0.101610|0.056587|0.053899|0.062641|0.060019|0.052144|0.053610|0.043378|0.037691|0.038571|0.067719|0.076978|0.115471|0.107067|0.127993|0.139352|0.123181|0.211865|0.214244|0.303355|0.500000| |2.432952|2.728100|3.305615|3.641039|3.127348|2.629374|2.496866|22.117019|4.628978|6.843926|3.890150|2.385506|2.076953|1.817379|1.677932|1.517285|1.508061|12.013983|2.969795|3.321820|5.175712|5.839173|4.748087|0.118688|3.815115|3.658786|4.547609|6.517184|7.473045|0.214865|16.530508|17.532574|8.926771|6.883475|4.667468|4.002289|4.305392|5.866499|0.071033|0.060285|0.065062|0.097146|0.120176|0.066198|0.061399|0.064949|0.065079|0.057621|0.057267|0.046962|0.039502|0.039210|0.071296|0.086783|0.134424|0.088692|0.106199|0.094068|0.086703|0.110367|0.126723|0.152574|0.222775|0.500000| |2.545207|2.984530|3.632609|4.340992|3.874327|3.123307|2.827460|29.227747|5.911807|10.142377|4.866905|2.832110|2.451948|2.082296|1.906803|1.691172|1.667482|13.429943|3.719354|3.974438|5.831564|7.172400|5.013881|0.120927|3.846436|3.368965|3.792234|4.931082|6.905820|0.214279|16.545011|17.544567|8.899361|5.598747|4.189542|3.983360|4.775771|7.313765|0.072772|0.063476|0.066869|0.100560|0.146051|0.078963|0.068533|0.075093|0.076385|0.068957|0.067645|0.053758|0.043741|0.042864|0.085994|0.113560|0.187926|0.091788|0.109619|0.086354|0.080796|0.090207|0.107055|0.120042|0.141893|0.301808|0.500000| |3.114097|3.325254|4.103865|3.973567|3.183320|2.776528|2.824868|20.069010|4.255575|5.635122|3.533010|2.273037|1.950577|1.755072|1.647395|1.507328|1.493096|11.669508|2.535749|2.829608|4.644228|4.567579|3.774188|0.108204|3.057090|3.094340|3.629804|5.063073|4.880669|0.117884|11.567483|7.051316|8.910276|17.703118|8.930245|5.644610|4.958146|5.656091|0.095680|0.074418|0.083925|0.133838|0.123977|0.067775|0.069274|0.062401|0.064454|0.053872|0.052437|0.046157|0.039562|0.039023|0.061985|0.070443|0.099047|0.074971|0.079645|0.086726|0.073777|0.095878|0.092517|0.151618|0.159995|0.197690|0.141258|0.500000| |3.689128|3.611394|4.036065|3.536252|2.958267|2.775963|3.004443|17.798198|3.948212|4.738059|3.057491|2.040064|1.782274|1.637262|1.574687|1.450526|1.417624|10.801088|2.113484|2.249881|3.752798|3.412571|2.650263|0.076937|2.241528|2.243935|2.484833|3.080738|3.067061|0.077877|6.738754|4.101166|5.631381|8.929510|17.708309|8.898188|5.648578|4.956267|0.124349|0.088508|0.096019|0.129760|0.099014|0.067908|0.075830|0.055276|0.059446|0.049880|0.047170|0.044654|0.038581|0.037148|0.052661|0.058420|0.073854|0.057358|0.059032|0.063718|0.055540|0.067214|0.064741|0.091748|0.092061|0.110010|0.096310|0.215543|0.500000| |3.986201|3.976330|4.029267|3.584775|3.229805|3.200799|3.508729|19.150777|4.411747|5.011215|3.122060|2.089816|1.857131|1.702142|1.664849|1.517390|1.454914|10.950246|2.098110|2.130058|3.501212|3.154879|2.312808|0.065836|1.965593|1.900971|2.045559|2.447102|2.584688|0.068003|5.641080|3.547647|4.933229|5.644850|8.897224|17.710338|8.917566|5.641015|0.135940|0.100592|0.095334|0.114832|0.094146|0.079336|0.090642|0.055077|0.061769|0.053225|0.048597|0.048151|0.040645|0.037852|0.052329|0.058716|0.069867|0.051135|0.052717|0.053231|0.047735|0.054411|0.054603|0.070279|0.071359|0.091034|0.090637|0.124126|0.214493|0.500000| |3.494848|3.973162|4.101540|4.130412|4.032593|3.918449|3.892215|24.896465|5.816865|6.757224|3.753192|2.423928|2.170140|1.931538|1.880575|1.672733|1.586669|12.074511|2.489927|2.427475|3.858122|3.610952|2.511905|0.069366|2.105613|1.962738|2.089732|2.488466|2.794915|0.075865|6.189424|4.092586|5.637255|4.959229|5.646385|8.919222|17.716562|8.916265|0.106589|0.090234|0.083114|0.106463|0.107798|0.099277|0.098126|0.061968|0.071048|0.063770|0.056745|0.055196|0.044502|0.040761|0.061055|0.071672|0.083310|0.054769|0.057541|0.053861|0.049297|0.054205|0.056868|0.069035|0.071618|0.099444|0.113642|0.107611|0.124088|0.214788|0.500000| 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