Version2.4 2021-06-07T04:30:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 04-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)CO[C@@H]2CCC[C@H]2NC(=O)[C@@H]3CN(CC34CC[NH2+]CC4)C(=O)c5cc(ccc5F)Cl C39609086 RHF 6-31G(d) (6D,7F) c1ccc(cc1)CO[C@@H]2CCC[C@H]2NC(=O)[C@@H]3CN(CC34CC[NH2+]CC4)C(=O)c5cc(ccc5F)Cl C01[X(C28H34Cl1F1N3O3)] 204 C1 612 O=C([C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1cc(Cl)ccc1F)N[C@@H]1CCC[C@H]1OCc1ccccc1 O=C([C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1cc(Cl)ccc1F)N[C@@H]1CCC[C@H]1OCc1ccccc1 Fc1ccc(Cl)cc1C(=O)N2C[C@@H](C(=O)N[C@@H]3CCC[C@H]3OCc4ccccc4)C5(CC[NH2+]CC5)C2 InChIKey=VGVSMLBMWMGMQB-ICDZXHCJSA-O InChI=1S/C28H33ClFN3O3/c29-20-9-10-23(30)21(15-20)27(35)33-16-22(28(18-33)11-13-31-14-12-28)26(34)32-24-7-4-8-25(24)36-17-19-5-2-1-3-6-19/h1-3,5-6,9-10,15,22,24-25,31H,4,7-8,11-14,16-18H2,(H,32,34)/p+1/t22-,24+,25+/m0/s1 InChI=1/C28H33ClFN3O3/c29-20-9-10-23(30)21(15-20)27(35)33-16-22(28(18-33)11-13-31-14-12-28)26(34)32-24-7-4-8-25(24)36-17-19-5-2-1-3-6-19/h1-3,5-6,9-10,15,22,24-25,31H,4,7-8,11-14,16-18H2,(H,32,34)/p+1/t22-,24+,25+/m0/s1/fC28H34ClFN3O3/h31-32H/q+1 c1ccc(cc1)CO[C@@H]2CCC[C@H]2NC(=O)[C@@H]3CN(CC34CC[NH2+]CC4)C(=O)c5cc(ccc5F)Cl C01[X(C28H34Cl1F1N3O3)] 204 C01 612 O=C([C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1cc(Cl)ccc1F)N[C@@H]1CCC[C@H]1OCc1ccccc1 O=C([C@@H]1CN(CC21CC[NH2]CC2)C(=O)[C]1[CH][C]([CH][CH][C]1F)Cl)N[C@@H]1CCC[C@H]1OC[C]1[CH][CH][CH][CH][CH]1 F[C]1[CH][CH][C](Cl)[CH][C]1C(=O)N2C[C@@H](C(=O)N[C@@H]3CCC[C@H]3OC[C]4[CH][CH][CH][CH][CH]4)C5(CC[NH2]CC5)C2 InChIKey=PIKJJESBTMCTEX-ICDZXHCJSA-N InChI=1S/C28H34ClFN3O3/c29-20-9-10-23(30)21(15-20)27(35)33-16-22(28(18-33)11-13-31-14-12-28)26(34)32-24-7-4-8-25(24)36-17-19-5-2-1-3-6-19/h1-3,5-6,9-10,15,22,24-25H,4,7-8,11-14,16-18,31H2,(H,32,34)/t22-,24+,25+/m0/s1 InChI=1/C28H34ClFN3O3/c29-20-9-10-23(30)21(15-20)27(35)33-16-22(28(18-33)11-13-31-14-12-28)26(34)32-24-7-4-8-25(24)36-17-19-5-2-1-3-6-19/h1-3,5-6,9-10,15,22,24-25H,4,7-8,11-14,16-18,31H2,(H,32,34)/t22-,24+,25+/m0/s1/f/h32H 4227.9253250601 -2026.8053803 1-A 23420.0044 136 476 612 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.89839 -26.42180 -20.67446 -20.62258 -20.61501 -15.83684 -15.68650 -15.68364 -11.44939 -11.44444 -11.43940 -11.42925 -11.42902 -11.39223 -11.38428 -11.38280 -11.38135 -11.37759 -11.37550 -11.36313 -11.35727 -11.35646 -11.35630 -11.35526 -11.35504 -11.35434 -11.35418 -11.35308 -11.35113 -11.34817 -11.34403 -11.34326 -11.33817 -11.31022 -11.30896 -11.30675 -10.63168 -8.10110 -8.09763 -8.09759 -1.73596 -1.49898 -1.49229 -1.48761 -1.47839 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1.64082 1.64460 1.65189 1.65414 1.65737 1.66307 1.66822 1.68387 1.70092 1.71401 1.72140 1.73910 1.73931 1.74757 1.76203 1.77252 1.78759 1.79544 1.81678 1.84440 1.84844 1.86542 1.87341 1.87607 1.88672 1.89671 1.90907 1.93350 1.94122 1.94753 1.94981 1.96317 1.97186 1.98061 1.98676 1.99042 1.99772 2.00040 2.00418 2.01144 2.02425 2.02817 2.03295 2.04301 2.04827 2.05567 2.05997 2.06700 2.06980 2.08277 2.09565 2.09895 2.10695 2.11084 2.12328 2.12591 2.14235 2.14461 2.14962 2.15778 2.16311 2.17030 2.17648 2.18036 2.18895 2.19127 2.20415 2.20751 2.21051 2.21245 2.21728 2.23064 2.23790 2.24528 2.25557 2.26237 2.27036 2.27327 2.28310 2.28933 2.29544 2.30960 2.31178 2.32274 2.33080 2.33342 2.34233 2.34396 2.34841 2.35412 2.36427 2.36759 2.37289 2.37450 2.37917 2.39640 2.40273 2.40706 2.42155 2.43201 2.44103 2.45053 2.46763 2.47085 2.47569 2.49182 2.50335 2.52075 2.52378 2.52651 2.53457 2.54004 2.54215 2.54649 2.55596 2.56917 2.56988 2.57643 2.57788 2.59178 2.59822 2.60192 2.61350 2.61553 2.62786 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884.1595 891.0008 922.4100 928.8356 941.6126 943.3193 958.3438 976.7788 980.1335 981.3479 1031.2233 1033.7891 1043.5001 1050.7526 1055.1134 1064.3532 1078.6405 1085.6168 1092.1894 1094.1224 1099.4909 1108.9380 1118.6974 1121.8627 1125.8526 1128.8345 1135.0575 1139.1147 1142.3362 1145.2838 1167.1376 1182.2909 1195.1775 1202.4403 1215.7564 1217.8191 1224.4465 1230.6322 1237.5248 1250.3494 1256.0544 1279.2019 1284.0136 1301.7232 1307.0313 1312.4880 1324.4535 1325.7314 1327.6080 1329.7905 1338.4498 1345.3567 1353.2137 1363.9943 1371.0031 1393.4242 1395.7893 1397.4967 1404.9182 1413.7492 1441.4669 1448.7879 1451.5434 1457.4808 1467.5273 1475.0109 1477.7508 1479.3890 1489.4124 1496.7956 1509.1760 1531.1075 1533.0777 1543.7263 1547.8339 1552.0977 1561.8325 1570.1332 1575.9268 1586.0751 1589.4308 1595.7708 1618.9813 1623.2124 1635.8100 1641.8417 1647.0088 1647.6465 1660.0060 1663.3589 1666.8477 1667.6630 1674.3219 1677.0303 1684.9080 1721.5605 1775.4520 1782.2978 1804.2575 1814.2948 1822.8111 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 10032.0621 34798.2231 41801.7059 0.99996 -0.00859 0.00331 0.00860 0.99996 -0.00263 -0.00328 0.00266 0.99999 1 0.00863 0.00249 0.00207 0.17990 0.05186 0.04317 22.44 27.77 39.12 57.89 69.22 75.70 82.53 103.90 112.34 118.97 127.08 139.96 161.31 172.25 180.99 202.44 220.86 226.42 254.42 261.72 287.81 310.82 339.66 341.69 362.73 391.47 407.20 427.73 444.98 466.62 526.33 532.72 544.69 571.42 588.74 602.11 621.12 632.42 654.38 662.15 716.86 721.80 728.20 745.48 775.85 784.56 812.16 833.51 843.87 862.88 941.87 965.35 975.06 1001.20 1005.11 1018.35 1058.38 1083.63 1118.95 1137.98 1190.65 1215.26 1219.73 1229.81 1233.53 1254.46 1264.75 1272.11 1281.95 1327.14 1336.39 1354.77 1357.23 1378.84 1405.37 1410.19 1411.94 1483.70 1487.39 1501.36 1511.80 1518.07 1531.37 1551.92 1561.96 1571.42 1574.20 1581.92 1595.51 1609.56 1614.11 1619.85 1624.14 1633.09 1638.93 1643.57 1647.81 1679.25 1701.05 1719.59 1730.04 1749.20 1752.17 1761.71 1770.61 1780.52 1798.97 1807.18 1840.49 1847.41 1872.89 1880.53 1888.38 1905.59 1907.43 1910.13 1913.27 1925.73 1935.67 1946.97 1962.48 1972.57 2004.83 2008.23 2010.69 2021.36 2034.07 2073.95 2084.48 2088.45 2096.99 2111.44 2122.21 2126.15 2128.51 2142.93 2153.56 2171.37 2202.92 2205.76 2221.08 2226.99 2233.12 2247.13 2259.07 2267.41 2282.01 2286.84 2295.96 2329.35 2335.44 2353.57 2362.24 2369.68 2370.60 2388.38 2393.20 2398.22 2399.40 2408.98 2412.87 2424.21 2476.94 2554.48 2564.33 2595.92 2610.37 2622.62 2788.81 2796.56 4522.75 4576.87 4590.36 4614.83 4619.71 4639.23 4647.59 4656.92 4677.17 4703.31 4703.72 4710.77 4712.66 4719.83 4723.32 4730.05 4742.69 4773.55 4780.87 4787.22 4795.21 4812.63 4831.73 4832.64 4846.70 4862.01 4878.73 4891.02 4892.63 4913.81 4918.67 5218.45 5368.19 5571.59 0.638812 0.669373 0.670318 0.574250 -2026.166568 -2026.136007 -2026.135063 -2026.231131 3.222137D-04 MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE c1ccc(cc1)CO[C@@H]2CCC[C@H]2NC(=O)[C@@H]3CN(CC34CC[NH2+]CC4)C(=O)c5cc(ccc5F)Cl C39609086 RHF 6-31G(d) (6D,10F) C1 514.227273 |X|Y|Z| 132.523351 69.531115 31.982714 66.547075 32 6 7 8 28 3 1 |36.858105| |13.744171|36.858105| |7.918933|13.701823|36.858105| |6.811170|7.880431|13.703388|36.858105| |7.907432|6.867587|7.944650|13.647234|36.858105| |13.701715|7.941412|6.880234|7.885434|13.734442|36.858105| |4.421607|5.005229|7.545517|12.593593|7.547073|5.011357|36.858105| |3.833026|4.032488|5.323417|8.025546|6.727321|4.555630|13.627928|73.516695| |2.996055|3.160463|3.978279|5.177479|4.532108|3.420590|8.021032|24.119156|36.858105| |2.838023|3.086364|3.923185|4.775179|3.978934|3.115673|7.274530|16.628972|17.441516|0.500000| |2.680515|2.793673|3.415183|4.301578|3.914657|3.049863|6.226138|13.577182|12.448323|0.244894|36.858105| |2.232559|2.302508|2.711231|3.243870|3.053367|2.502591|4.228764|9.139344|7.815792|0.186222|12.275962|36.858105| |2.220294|2.278686|2.661652|3.167898|3.014108|2.489895|4.001895|9.277367|7.969258|0.195878|7.683233|12.303634|36.858105| |2.650368|2.704707|3.215052|4.007867|3.835381|3.046414|5.154766|14.123320|12.479963|0.246215|7.977473|7.841311|12.456188|36.858105| |2.725858|2.702379|3.146100|3.995478|4.072107|3.226890|4.861736|13.181551|8.959875|0.174998|7.110908|6.776019|8.837395|17.644534|0.500000| |2.631419|2.691168|3.146894|3.776556|3.616393|2.970127|4.509035|11.502180|7.669122|0.196543|5.121322|5.077519|7.560830|13.172184|0.260139|53.358707| |2.700478|2.682834|3.030297|3.601930|3.647186|3.085925|3.949296|9.597127|5.431066|0.136597|4.022371|3.925096|5.248249|7.747715|0.212398|19.213000|36.858105| |2.732129|2.631219|2.911369|3.511043|3.765924|3.214457|3.730098|8.956455|4.869523|0.116498|3.873210|3.762780|4.776634|6.765212|0.225269|11.535230|15.852651|73.516695| |2.605510|2.611494|2.882534|3.246914|3.237890|2.869502|3.399541|7.526872|4.115966|0.111793|3.169919|3.086321|3.898379|5.019691|0.132715|10.671709|12.508583|14.245042|36.858105| |2.422154|2.484283|2.770318|3.056751|2.944310|2.609485|3.280704|7.087212|4.050117|0.115830|3.119795|3.089718|3.944862|4.830097|0.120329|10.370051|8.875673|10.491083|17.529830|0.500000| |2.286836|2.248323|2.402736|2.651810|2.717816|2.501944|2.709781|5.758608|3.173815|0.085512|2.613712|2.609134|3.214444|3.830018|0.106189|7.046960|7.430157|11.578992|12.428599|0.246860|36.858105| |2.321811|2.280019|2.382098|2.551907|2.613559|2.482223|2.523198|5.150738|2.755857|0.075372|2.295010|2.244368|2.655632|3.124423|0.086330|5.437621|5.176787|8.385901|8.102536|0.187474|13.017489|53.358707| |2.623441|2.622955|2.748853|2.891839|2.895839|2.751871|2.814414|5.648611|2.940833|0.081906|2.393719|2.281487|2.661993|3.194514|0.086380|5.582621|5.056703|7.814722|8.067381|0.199567|7.899395|17.896354|36.858105| |3.077382|3.079609|3.338851|3.668119|3.669634|3.336771|3.594757|7.571939|3.795596|0.103777|2.936058|2.727184|3.225267|4.145416|0.111853|7.628102|7.385136|10.666293|12.214851|0.247351|7.814613|11.115883|12.372125|36.858105| |3.426751|3.634725|4.120819|4.399171|4.049269|3.589114|4.333146|8.733157|4.239194|0.121908|3.168182|2.842968|3.275055|4.216676|0.108382|7.431589|5.894280|8.416757|7.439326|0.200553|5.004649|6.972905|7.397011|12.390189|36.858105| |4.095880|4.442292|4.763185|4.631309|4.250821|4.022277|4.110381|7.505669|3.512613|0.100044|2.772452|2.446479|2.687968|3.330892|0.088386|5.319032|4.165141|6.559414|4.839471|0.128673|3.824085|5.689257|5.898039|7.437253|12.496546|36.858105| |5.407407|5.347450|5.319642|5.328870|5.409935|5.447577|4.262800|7.748472|3.442865|0.093255|2.778322|2.411735|2.602019|3.264601|0.090555|4.990063|4.045829|6.834892|4.375313|0.109039|3.617653|5.305180|5.026693|6.476403|7.733705|12.733582|53.358707| |6.180539|6.059047|5.403522|4.966877|5.053395|5.584217|3.849784|6.667846|3.017499|0.082235|2.516424|2.188073|2.316620|2.826246|0.078601|4.202124|3.335845|5.727552|3.565980|0.090998|3.075451|4.555159|4.182966|4.899576|5.692021|9.183423|25.720986|0.500000| |6.429311|6.324784|6.711274|7.291270|7.500608|6.988341|5.360210|9.633619|3.990490|0.105624|3.170682|2.668606|2.841755|3.655156|0.102226|5.406007|4.277346|7.318278|4.298727|0.106743|3.467199|4.824547|4.337188|5.866249|7.130591|9.219292|25.583125|0.330160|0.500000| |4.338661|3.977884|3.904992|4.142948|4.571897|4.696399|3.522462|6.796565|3.143301|0.083233|2.583604|2.308484|2.536756|3.170898|0.090701|4.942490|4.328706|7.672434|4.830678|0.112977|4.265505|6.508295|5.962702|7.433559|6.503650|7.649128|17.270497|0.254329|0.255829|36.858105| |3.568852|3.366028|3.523653|3.972696|4.330223|4.052339|3.655658|7.661076|3.627449|0.094417|2.892815|2.630814|3.009497|3.902312|0.112793|6.485429|6.387544|11.318545|7.392147|0.152298|6.147026|8.682829|7.507016|12.316675|7.567422|6.495655|10.512708|0.157960|0.198051|12.512555|36.858105| |2.050074|2.002183|2.059235|2.176505|2.240485|2.168843|2.142514|4.282017|2.314331|0.063377|1.986422|1.963455|2.284160|2.595814|0.072281|4.309140|3.888335|6.602065|5.235211|0.131596|7.849181|19.107483|7.548461|5.209923|3.805337|3.341885|4.333359|0.079070|0.080714|3.854159|4.625302|36.858105| |1.862717|1.815471|1.872957|1.992271|2.056782|1.982444|1.985059|3.981364|2.190972|0.059723|1.911442|1.921954|2.243845|2.495058|0.069922|4.079576|3.639955|6.317823|4.590445|0.117259|7.071187|11.639052|5.315047|4.207595|3.212486|2.816446|3.698760|0.068173|0.070578|3.217146|3.854800|15.905025|73.516695| |1.999613|1.953500|1.971766|2.037106|2.091612|2.070929|1.970195|3.833446|2.048559|0.056507|1.777687|1.738711|1.975676|2.226051|0.061831|3.587123|3.102658|5.303795|3.968545|0.103359|4.990078|10.487343|6.327257|4.326633|3.422993|3.223433|4.184487|0.078712|0.076226|3.684988|3.994871|12.635647|14.459333|36.858105| |1.765644|1.741312|1.758734|1.800868|1.829246|1.810477|1.757489|3.383057|1.833847|0.051045|1.611973|1.591071|1.797106|1.980777|0.054582|3.148248|2.635056|4.477361|3.268116|0.088787|3.962536|7.258426|4.672230|3.428149|2.884972|2.737877|3.502292|0.067031|0.064663|2.940929|3.125580|7.683619|11.683821|13.694935|36.858105| |1.683402|1.660627|1.657455|1.675182|1.699905|1.703989|1.620786|3.071529|1.657208|0.046221|1.470672|1.443934|1.606858|1.760954|0.048566|2.745885|2.256008|3.862023|2.711339|0.073992|3.123591|5.428264|3.772798|2.906043|2.548658|2.508409|3.234823|0.063299|0.059578|2.671047|2.719790|5.065092|8.022696|7.922431|13.801187|36.858105| |1.777807|1.740621|1.711932|1.716286|1.753545|1.785078|1.634754|3.070244|1.634078|0.045388|1.451844|1.410022|1.553906|1.716516|0.047615|2.650733|2.179434|3.769612|2.583742|0.069446|2.900530|5.033089|3.651956|2.868938|2.542072|2.590238|3.408655|0.067801|0.062065|2.840047|2.777861|4.434520|6.848188|6.823770|7.925094|13.751677|36.858105| |2.013357|1.948032|1.901752|1.912479|1.976475|2.029433|1.797420|3.386949|1.776448|0.048978|1.566317|1.506957|1.661796|1.864806|0.052102|2.889908|2.416676|4.216236|2.881964|0.075539|3.230926|5.795644|4.276713|3.323816|2.875856|2.977238|4.013793|0.079714|0.071854|3.481508|3.325635|4.982101|7.296418|7.874458|6.873316|7.967257|13.780059|36.858105| |2.158135|2.082440|2.060305|2.106782|2.187963|2.215668|1.990479|3.820908|2.000640|0.054883|1.741025|1.677194|1.875967|2.133279|0.059760|3.374160|2.904046|5.057625|3.587749|0.091737|4.197409|8.256037|5.786893|4.191925|3.396524|3.392381|4.566987|0.087649|0.081384|4.154572|4.168574|7.452610|9.754653|13.800579|8.030716|6.973393|8.013725|13.834927|36.858105| |2.483464|2.349430|2.305673|2.379432|2.523017|2.582239|2.206999|4.259408|2.183030|0.059119|1.886041|1.793298|2.000653|2.322424|0.065923|3.664027|3.224551|5.738881|3.928668|0.096213|4.473690|8.584130|6.262518|4.863398|3.798954|3.863554|5.517499|0.104661|0.096769|5.519242|5.355994|6.579884|8.794776|8.106637|5.289529|4.678031|5.307796|8.182293|14.210155|97.533100| |1.471161|1.461966|1.463399|1.472917|1.483238|1.482240|1.438187|2.706073|1.477638|0.041447|1.327156|1.313371|1.452378|1.563606|0.042914|2.407238|1.934328|3.305145|2.268082|0.063145|2.557802|4.163506|2.920428|2.364849|2.141727|2.103328|2.698288|0.053213|0.050478|2.162862|2.204070|3.685226|6.265219|4.763561|7.056402|10.974483|7.045813|4.776323|4.263982|7.379835|448.794386| |17.717544|8.902351|5.633718|4.920154|5.631032|8.889479|3.539040|5.626537|2.569439|0.068043|2.335801|1.989387|1.983378|2.325728|0.066608|3.165277|2.409529|4.360103|2.359014|0.061037|2.120194|2.968092|2.442490|2.775333|3.013183|3.611392|6.362205|0.153873|0.142340|3.977235|3.220126|1.957590|3.168001|1.937387|1.718612|1.655925|1.766150|2.002841|2.115826|5.471235|11.637421|0.500000| |8.906813|17.715560|8.908610|5.624436|4.949257|5.642809|4.087136|5.987893|2.758874|0.076305|2.471809|2.079052|2.058711|2.391910|0.065821|3.267011|2.387760|4.135034|2.367639|0.063392|2.066857|2.886504|2.442921|2.779454|3.275811|4.059983|6.274405|0.149783|0.139831|3.512511|2.965694|1.885572|3.040983|1.865117|1.679829|1.618493|1.703423|1.893219|1.994205|4.996150|11.516448|0.214419|0.500000| |5.642607|8.920054|17.698888|8.903174|5.642250|4.954491|6.992405|8.679905|3.884351|0.111591|3.352917|2.685454|2.623580|3.095393|0.081966|4.138310|2.857556|4.781465|2.751775|0.075311|2.289846|3.090937|2.629666|3.135877|3.967424|4.517653|6.232166|0.128483|0.149473|3.424570|3.160528|1.971651|3.195794|1.893397|1.707724|1.613389|1.656857|1.820054|1.960250|4.851660|11.536263|0.124086|0.215790|0.500000| |5.632411|4.950652|5.651650|8.907059|17.735292|8.908518|7.020641|13.146472|4.985924|0.114895|4.373633|3.387184|3.340180|4.348011|0.135318|5.371006|4.011266|7.684743|3.384701|0.084116|2.851000|3.631571|2.875074|3.678030|3.863942|3.812092|6.383213|0.118049|0.170544|4.320988|4.406986|2.283878|3.769502|2.095972|1.828887|1.685986|1.726584|1.942232|2.169524|5.631052|11.815102|0.123923|0.107487|0.124100|0.500000| |8.896636|5.645440|4.955772|5.624940|8.924680|17.714828|4.090941|6.997252|3.079589|0.077294|2.804929|2.357062|2.354034|2.846280|0.085530|3.778631|2.946450|5.616587|2.734461|0.068347|2.450593|3.310770|2.634948|3.134815|3.215176|3.523524|6.428068|0.133951|0.156611|4.502210|3.919264|2.152459|3.521555|2.057424|1.794400|1.691555|1.779307|2.031796|2.215611|5.860433|11.791927|0.214343|0.124016|0.107552|0.215275|0.500000| |4.012505|4.433176|6.178331|8.933000|6.478764|4.543896|17.543552|16.529632|7.130640|0.175152|6.891632|4.421689|3.880374|4.676538|0.125551|5.301581|3.417083|5.892675|2.926285|0.078732|2.408226|3.043740|2.441013|3.018217|3.483592|3.338290|4.750916|0.090072|0.117522|2.997752|3.099539|1.932909|3.222514|1.783714|1.605511|1.488272|1.500208|1.638990|1.800192|4.461128|10.693602|0.091349|0.103145|0.163082|0.176866|0.106347|0.500000| |3.967431|4.747373|7.247770|8.881722|5.599262|4.183702|17.507319|16.518343|7.225972|0.219871|5.561415|4.010571|3.848555|4.735619|0.117731|5.909117|3.711196|6.008141|3.324477|0.092204|2.635367|3.373193|2.806225|3.520680|4.457252|4.232059|5.564234|0.103488|0.136414|3.306701|3.404429|2.107601|3.460784|1.950296|1.754815|1.622212|1.630153|1.778680|1.959520|4.822551|11.620259|0.090322|0.112950|0.221067|0.141610|0.096270|0.302177|0.500000| |2.811873|2.854592|3.428958|4.434957|4.274942|3.292141|6.029090|12.984451|8.910791|0.174935|17.548822|8.711700|6.154712|6.823158|0.199799|6.236745|3.857849|6.964828|3.022981|0.080511|2.542509|3.051849|2.319680|2.842391|2.997891|2.679014|3.777100|0.070208|0.088844|2.615428|2.909544|1.951633|3.345147|1.750851|1.580580|1.445775|1.435428|1.556556|1.728801|4.251060|10.442015|0.068003|0.069394|0.090667|0.139375|0.085255|0.195020|0.138618|0.500000| |2.639039|2.810658|3.472314|4.230463|3.698869|2.928371|6.205573|11.344771|8.672952|0.217179|17.586412|8.645289|5.721143|5.689122|0.141635|5.675405|3.374186|5.730185|2.794679|0.077502|2.331617|2.846559|2.204244|2.653977|2.928369|2.633609|3.564452|0.066973|0.082641|2.390980|2.602762|1.827263|3.117892|1.657780|1.514677|1.393247|1.379210|1.481698|1.630975|3.953630|10.155432|0.063965|0.069797|0.097336|0.110061|0.074040|0.208511|0.163251|0.302444|0.500000| |2.117078|2.148130|2.478604|2.951394|2.869692|2.389149|3.675948|7.761218|5.840352|0.137652|8.737624|17.599656|8.712116|6.216738|0.170722|5.852371|3.550721|6.324073|2.808585|0.076845|2.447660|2.870891|2.113567|2.492793|2.540244|2.222110|3.033140|0.056591|0.068222|2.167354|2.458842|1.868166|3.280100|1.656903|1.518765|1.381725|1.351186|1.443358|1.602014|3.857508|10.112083|0.052862|0.053982|0.067422|0.089695|0.063546|0.108749|0.094857|0.226730|0.187258|0.500000| |2.064124|2.155276|2.530141|2.935498|2.713806|2.266513|3.785134|7.654617|6.157468|0.167645|8.691917|17.595949|8.725706|5.822046|0.138347|5.835099|3.367768|5.644257|2.774751|0.078856|2.372082|2.817571|2.114334|2.476459|2.616641|2.277118|3.011411|0.056307|0.067260|2.100576|2.355975|1.828407|3.185871|1.633497|1.509927|1.377079|1.341790|1.423647|1.572704|3.747704|10.140534|0.051428|0.054772|0.070998|0.081421|0.059128|0.110763|0.104096|0.177044|0.223189|0.304509|0.500000| |2.050805|2.074272|2.368953|2.784395|2.726811|2.303319|3.354019|7.562390|5.694545|0.141014|5.703602|8.617802|17.602516|8.739966|0.217911|8.805055|5.030524|8.548782|3.754161|0.103982|3.245166|3.588048|2.566337|3.041062|2.969102|2.458500|3.272104|0.059730|0.072010|2.403377|2.872274|2.298152|4.085777|1.969422|1.796445|1.599978|1.539673|1.641588|1.856673|4.437661|11.638763|0.051466|0.052328|0.064369|0.084484|0.061525|0.090922|0.088849|0.141607|0.124667|0.222114|0.186896|0.500000| |2.106185|2.192926|2.562625|2.965650|2.758837|2.313508|3.723606|8.230017|6.798697|0.197769|6.166652|8.730111|17.525038|8.840745|0.174415|9.709135|4.866827|7.466274|3.873139|0.114545|3.177209|3.602967|2.676762|3.184970|3.300025|2.683200|3.434243|0.062571|0.075434|2.435121|2.864074|2.280790|3.977132|1.978520|1.816702|1.623400|1.559685|1.655054|1.862931|4.415041|11.853289|0.052482|0.055665|0.071518|0.082529|0.060380|0.098880|0.104230|0.135153|0.142422|0.177048|0.226340|0.303204|0.500000| |2.503386|2.614186|3.068340|3.553426|3.288400|2.748505|4.257338|10.038285|6.784720|0.202818|4.651122|4.678395|6.736388|9.051609|0.180649|26.060126|9.403019|10.866660|7.507153|0.243281|4.938498|5.365528|4.165555|5.470258|5.718751|3.987263|4.822260|0.083552|0.104328|3.418979|4.322881|3.135145|5.242882|2.635374|2.344054|2.045250|1.959988|2.115185|2.454569|5.885203|14.494269|0.061734|0.065687|0.084488|0.096262|0.070744|0.101859|0.120472|0.111979|0.110461|0.108135|0.116183|0.157430|0.205192|0.500000| |2.288619|2.208224|2.340552|2.616274|2.755631|2.548306|2.652092|5.671689|3.102152|0.081344|2.606617|2.606084|3.179895|3.793953|0.110207|6.609588|7.182699|13.337788|8.748012|0.175530|17.640275|12.337796|6.034997|6.386529|4.302488|3.455929|4.699437|0.082288|0.093517|4.198156|6.104187|6.811351|11.931891|4.540054|3.611715|2.910121|2.748961|3.093150|3.982855|9.901842|19.225553|0.059156|0.056054|0.061219|0.081885|0.070590|0.066226|0.070239|0.071824|0.064064|0.069137|0.065056|0.091028|0.084835|0.121915|0.500000| |2.041712|2.025473|2.169808|2.374580|2.402100|2.211931|2.467284|5.185043|2.955779|0.080819|2.482610|2.545852|3.169093|3.593365|0.097799|6.496318|6.151077|9.515214|8.729299|0.225413|17.623201|12.298278|6.089021|5.717043|4.197080|3.279900|4.153682|0.073732|0.081883|3.452793|4.577697|7.116619|13.092414|4.616778|3.923046|3.066226|2.765242|2.972159|3.740013|8.496232|20.741024|0.052834|0.052202|0.058188|0.069904|0.060143|0.061734|0.067431|0.066430|0.061827|0.066472|0.065085|0.090474|0.088842|0.131381|0.302505|0.500000| |2.713684|2.686541|2.736458|2.815253|2.850526|2.796299|2.657370|5.184177|2.651282|0.073556|2.198168|2.074304|2.361690|2.804816|0.076832|4.674454|4.108448|6.686603|5.702493|0.142988|5.762671|12.348871|17.700237|8.647405|6.299200|6.028963|7.294693|0.127958|0.121949|6.671171|7.036351|6.828887|8.536972|6.919636|4.917055|4.130461|4.212869|5.249949|7.311227|18.729045|24.736893|0.071258|0.070171|0.072240|0.077364|0.074819|0.064390|0.073390|0.059768|0.056821|0.053793|0.053618|0.063263|0.065549|0.095862|0.136552|0.130032|0.500000| |2.434187|2.490874|2.636825|2.728555|2.656708|2.509352|2.707061|5.352927|2.853779|0.081640|2.328167|2.238111|2.613990|3.063964|0.080753|5.358831|4.534738|6.799209|6.998541|0.207003|6.522005|12.305846|17.490061|8.786145|7.077496|5.585593|5.985679|0.104666|0.107156|4.714253|5.492006|6.382100|8.518966|5.677329|4.631333|3.773243|3.546823|3.935941|4.975792|11.073887|24.147167|0.062982|0.065322|0.071673|0.072698|0.066069|0.065421|0.076788|0.061761|0.060155|0.057143|0.058402|0.069562|0.074691|0.116568|0.137016|0.158546|0.302659|0.500000| |2.957937|3.196913|3.621902|3.749338|3.381069|3.030176|3.842261|7.550645|3.923412|0.118252|2.987074|2.747719|3.186207|3.914219|0.097734|6.935522|5.163967|7.253665|6.731173|0.213831|4.720504|6.616342|6.932125|8.770300|17.557062|8.970640|7.646922|0.127077|0.144712|4.883296|5.494452|3.709008|5.609157|3.364861|2.922216|2.579914|2.527965|2.786733|3.243876|7.779893|17.660294|0.073436|0.082386|0.101080|0.090035|0.076029|0.088007|0.114487|0.076986|0.077775|0.067732|0.071687|0.080184|0.092269|0.160854|0.109179|0.116194|0.160169|0.218979|0.500000| |3.638787|3.910336|4.720681|5.382887|4.738236|3.924946|5.621481|12.016294|5.537721|0.159047|3.848401|3.332600|3.840054|5.245664|0.131023|9.153814|6.627593|9.266205|6.940249|0.185701|4.548847|5.858203|5.463094|8.839427|17.553027|8.942112|9.505705|0.145980|0.210520|5.682067|6.752880|3.302927|5.144154|2.940201|2.521873|2.245212|2.236157|2.503787|2.911216|7.328606|15.427877|0.086446|0.095189|0.125557|0.126675|0.095618|0.119097|0.159903|0.099796|0.097498|0.081106|0.083942|0.093661|0.106145|0.191360|0.113099|0.108138|0.131938|0.144944|0.303115|0.500000| |3.585511|3.809957|3.886568|3.708887|3.506638|3.452886|3.335157|6.075605|2.957666|0.084406|2.407836|2.173325|2.388839|2.872349|0.076721|4.583429|3.641955|5.815329|4.402356|0.118741|3.716203|5.886602|6.366230|6.631971|8.723760|17.615115|12.442147|0.222040|0.180871|7.027734|5.736476|3.544361|5.198673|3.574643|3.031193|2.808427|2.939843|3.410960|3.847552|9.697377|18.625148|0.091603|0.100767|0.104100|0.088795|0.086671|0.078030|0.095482|0.064821|0.063850|0.055377|0.056697|0.061645|0.066707|0.096218|0.092429|0.089420|0.199797|0.171831|0.212648|0.173369|0.500000| |4.274599|5.028030|5.587680|5.011199|4.270737|4.008390|4.423078|7.554178|3.533503|0.103252|2.812249|2.445183|2.627986|3.201498|0.083739|4.927384|3.655445|5.777961|4.034067|0.111291|3.227969|4.662454|4.520511|5.442529|8.778305|17.632830|12.407491|0.224604|0.223367|5.602289|4.883267|2.835326|4.356437|2.756424|2.413243|2.245926|2.314240|2.601572|2.878050|7.180645|15.482647|0.103203|0.130449|0.155234|0.103262|0.094855|0.098968|0.132717|0.074779|0.075853|0.061280|0.063961|0.065948|0.073451|0.104286|0.081899|0.079350|0.126729|0.125075|0.212177|0.217215|0.301158|0.500000| |3.748844|3.507644|3.378342|3.444362|3.681816|3.854719|2.997237|5.678707|2.725672|0.073526|2.280355|2.074034|2.279415|2.765850|0.078167|4.331039|3.743985|6.539968|4.385555|0.105869|4.107317|6.786079|6.419282|6.603930|5.724634|7.004338|12.408210|0.221705|0.180749|17.643030|8.704318|4.163563|5.998006|4.227945|3.307973|3.038114|3.316980|4.231988|5.076160|15.976215|19.251296|0.099262|0.089556|0.084763|0.096659|0.103961|0.072142|0.080095|0.063630|0.059210|0.054252|0.053066|0.060473|0.061590|0.085225|0.110139|0.093764|0.230945|0.140092|0.128483|0.132035|0.212398|0.144036|0.500000| |4.784194|4.070977|3.840394|4.115552|4.879376|5.388662|3.397444|6.461618|2.968266|0.077205|2.507840|2.229265|2.405275|2.976841|0.087249|4.453618|3.849254|7.176823|4.028737|0.095057|3.689732|5.437615|4.567299|5.444160|4.893025|5.607663|12.398783|0.223974|0.223943|17.632444|8.811818|3.384704|5.190388|3.262260|2.651982|2.445836|2.625246|3.206201|3.715309|11.095518|16.097001|0.124519|0.098627|0.091323|0.128786|0.152277|0.082103|0.086491|0.071962|0.064563|0.058915|0.056159|0.063749|0.063320|0.084273|0.105158|0.084798|0.139432|0.104209|0.107722|0.127947|0.144316|0.126909|0.301599|0.500000| |3.817390|3.552728|3.820550|4.592906|5.229915|4.606096|4.256043|9.429917|4.270447|0.106423|3.346838|2.978211|3.398091|4.625036|0.139310|7.422388|7.388891|14.294856|6.880312|0.143113|5.432921|6.854679|5.505575|8.772465|6.708195|5.651749|9.457576|0.145520|0.209323|8.946701|17.614827|3.846444|6.010507|3.311910|2.692213|2.370098|2.406003|2.810896|3.399372|9.413111|15.820902|0.093250|0.084702|0.093275|0.156118|0.123564|0.099382|0.105565|0.095160|0.081926|0.077377|0.072544|0.089377|0.087330|0.129529|0.157561|0.117091|0.140703|0.122998|0.137597|0.194820|0.131849|0.127111|0.173338|0.218779|0.500000| |3.116674|2.894934|2.971666|3.312407|3.665457|3.527950|3.091433|6.420315|3.165757|0.082131|2.616128|2.439685|2.796117|3.504877|0.103369|5.728902|5.757370|11.029964|6.682390|0.137427|6.775623|9.854930|7.111250|8.753746|5.504310|4.885497|7.645528|0.127032|0.144766|8.988200|17.616269|5.391067|7.973031|4.500654|3.400320|2.912063|2.971623|3.616779|4.710730|14.328849|18.636317|0.080297|0.072031|0.074766|0.105926|0.098539|0.075116|0.080082|0.073712|0.065359|0.064386|0.060831|0.076068|0.073698|0.105761|0.205865|0.136211|0.189941|0.141590|0.123045|0.138412|0.128925|0.107682|0.212724|0.212584|0.305698|0.500000| |1.662846|1.648594|1.680810|1.729722|1.747316|1.711959|1.710697|3.309131|1.819452|0.050823|1.604702|1.601893|1.821440|1.983184|0.054365|3.161100|2.623774|4.424728|3.243329|0.089938|3.990793|6.894777|4.296110|3.246731|2.752008|2.551223|3.234661|0.061602|0.060584|2.670606|2.902847|7.206233|12.471993|8.936711|17.762505|8.929131|5.643714|4.956313|5.694108|9.581128|53.820145|0.044752|0.044131|0.045571|0.048799|0.047032|0.043567|0.047587|0.043508|0.041839|0.042479|0.042369|0.050879|0.051475|0.065825|0.099961|0.115510|0.118334|0.122223|0.078595|0.067653|0.077061|0.063154|0.081246|0.067130|0.070767|0.087041|0.500000| |1.681530|1.648507|1.611140|1.603203|1.634994|1.674624|1.523778|2.835384|1.510202|0.042009|1.352385|1.312233|1.433879|1.573617|0.043641|2.401664|1.949806|3.382394|2.267721|0.061322|2.495608|4.176203|3.075992|2.506352|2.276374|2.350868|3.108635|0.062716|0.056949|2.540450|2.447828|3.548635|5.653879|4.929305|5.646131|8.917752|17.754796|8.920512|5.678537|9.610620|53.800680|0.046739|0.045157|0.043445|0.044560|0.046410|0.039050|0.042284|0.037181|0.035874|0.035001|0.034819|0.039427|0.039994|0.049374|0.066210|0.066512|0.097312|0.083911|0.063033|0.056238|0.073797|0.059287|0.081585|0.066137|0.059810|0.071878|0.124240|0.500000| 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