Version2.0 2020-02-03T09:51:48Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 14-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCSc1c(cccn1)C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NCCc4c([nH]c5c4cccc5)C C39674040 RHF 6-31G(d) (6D,7F) CCSc1c(cccn1)C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NCCc4c([nH]c5c4cccc5)C C01[X(C28H36N5O2S1)] 210 C1 616 CCSc1ncccc1C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCCc1c(C)[nH]c2c1cccc2 CCSc1ncccc1C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCCc1c(C)[nH]c2c1cccc2 CCSc1ncccc1C(=O)N2C[C@H](C(=O)NCCc3c(C)[nH]c4ccccc34)C5(CC[NH2+]CC5)C2 InChIKey=FCCKHXAAWYSTJB-HSZRJFAPSA-O InChI=1S/C28H35N5O2S/c1-3-36-26-22(8-6-13-31-26)27(35)33-17-23(28(18-33)11-15-29-16-12-28)25(34)30-14-10-20-19(2)32-24-9-5-4-7-21(20)24/h4-9,13,23,29,32H,3,10-12,14-18H2,1-2H3,(H,30,34)/p+1/t23-/m1/s1 InChI=1/C28H35N5O2S/c1-3-36-26-22(8-6-13-31-26)27(35)33-17-23(28(18-33)11-15-29-16-12-28)25(34)30-14-10-20-19(2)32-24-9-5-4-7-21(20)24/h4-9,13,23,29,32H,3,10-12,14-18H2,1-2H3,(H,30,34)/p+1/t23-/m1/s1/fC28H36N5O2S/h29-30H/q+1 CCSc1c(cccn1)C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NCCc4c([nH]c5c4cccc5)C C01[X(C28H36N5O2S1)] 210 C01 616 CCSc1ncccc1C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCCc1c(C)[nH]c2c1cccc2 CCSc1ncccc1C(=O)N1C[C@@H](C2(C1)CC[NH2]CC2)C(=O)NCCc1c(C)[nH]c2c1cccc2 CCSc1ncccc1C(=O)N2C[C@H](C(=O)NCCc3c(C)[nH]c4ccccc34)C5(CC[NH2]CC5)C2 InChIKey=DWLARISDYPLDGC-HSZRJFAPSA-N InChI=1S/C28H36N5O2S/c1-3-36-26-22(8-6-13-31-26)27(35)33-17-23(28(18-33)11-15-29-16-12-28)25(34)30-14-10-20-19(2)32-24-9-5-4-7-21(20)24/h4-9,13,23,32H,3,10-12,14-18,29H2,1-2H3,(H,30,34)/t23-/m1/s1 InChI=1/C28H36N5O2S/c1-3-36-26-22(8-6-13-31-26)27(35)33-17-23(28(18-33)11-15-29-16-12-28)25(34)30-14-10-20-19(2)32-24-9-5-4-7-21(20)24/h4-9,13,23,32H,3,10-12,14-18,29H2,1-2H3,(H,30,34)/t23-/m1/s1/f/h30H 3989.4111938403 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 3.7915 11.6249 12.3162 23.5259 27.1314 29.0047 41.7851 54.9590 62.8502 70.3129 86.7586 90.4714 102.4322 109.3246 115.6591 124.0264 136.4547 156.8960 161.5482 173.4005 181.1603 184.6516 225.0437 228.9324 261.7366 262.4965 270.0736 273.5102 287.7697 310.4469 314.7767 325.8012 334.7636 341.8012 348.5609 371.1808 386.4970 401.1864 412.5293 434.7574 457.1991 466.1540 473.9207 482.6095 497.3705 505.2315 520.7591 526.8140 540.2010 559.4476 571.4292 576.4036 634.7827 644.5577 672.6028 684.4957 712.6298 718.0748 732.5809 744.0774 754.0932 792.9629 805.8796 828.1995 833.3951 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3.8047 3.8471 2.2573 1.3498 2.2348 1.9706 1.9397 1.5306 2.1448 1.2993 2.0950 1.4419 2.1289 2.6812 1.4283 1.9086 2.5319 1.8978 1.9072 1.5412 2.2192 2.4103 2.7724 2.4850 2.4936 3.0410 2.2063 2.1398 1.6175 2.0501 1.8472 1.5510 1.8095 2.0047 1.9746 2.9195 1.1737 1.3388 2.1173 1.8806 1.5020 1.6977 1.2104 2.1244 1.7647 1.6580 2.7722 1.2457 1.2599 1.3067 1.2296 1.3138 1.2694 1.4729 1.5776 1.9359 1.4464 1.5658 2.0072 1.5075 1.4034 1.2606 1.2507 1.4849 1.2907 1.9052 2.3878 1.3931 2.3018 2.1753 1.0970 1.0480 2.1669 1.0870 1.0908 1.2649 1.0395 1.0884 1.0528 1.1406 1.0889 2.5629 1.0885 1.0967 1.0976 2.0818 5.7730 5.9590 6.0548 5.6850 1.0772 5.6365 11.9116 8.7664 1.0631 1.0411 1.0780 1.0357 1.0695 1.0814 1.1002 1.0646 1.1026 1.0658 1.0947 1.0706 1.0754 1.1043 1.0648 1.0878 1.0624 1.1047 1.0988 1.1027 1.1006 1.1119 1.1086 1.0879 1.1096 1.0894 1.0925 1.0948 1.0902 1.0929 1.0979 1.0986 1.0561 1.0959 1.0790 1.0811 0.0000 0.0005 0.0004 0.0019 0.0023 0.0024 0.0047 0.0086 0.0130 0.0102 0.0098 0.0157 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6.7865 1.6768 11.5343 10.9067 34.5267 0.0291 7.7463 0.5460 2.6825 9.0654 0.3921 7.5974 1.2995 0.3013 3.4992 3.2815 4.9199 0.2904 40.2896 5.5727 6.9329 91.0437 9.0235 11.6723 19.2639 11.7421 4.0106 13.4275 3.5224 23.0157 64.9701 26.6702 2.1847 3.8355 95.7856 20.2455 13.7126 125.6415 0.2295 13.5218 16.2689 50.6611 17.2857 14.1692 10.1667 49.5112 4.7631 6.9946 9.2018 67.1301 160.0799 21.6466 42.8455 10.6417 155.1568 47.8565 1.0302 11.0059 7.1880 5.6524 4.3862 77.5319 156.6198 61.0508 51.1310 16.4890 8.0290 5.5164 41.2830 8.3802 11.7066 14.8003 7.4253 6.8017 1.1171 11.8422 14.2989 8.7035 9.5606 14.0388 18.9079 544.8042 67.7624 45.9535 5.4503 102.1077 94.5903 16.9752 296.0382 284.6714 37.0611 33.6548 18.7524 30.1349 9.6906 52.4433 25.4080 23.2391 21.1078 26.7964 8.5401 7.9426 0.6628 27.8566 12.9644 37.6055 3.9048 17.9608 31.1410 4.8428 2.4335 6.9043 10.7278 18.3736 3.1631 2.9807 5.3690 41.7005 4.0448 19.7724 28.6570 12.0232 65.4975 81.8120 38.7062 100.5877 4.7829 0.9477 3.7971 1.5230 2.4848 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1054.02 1070.56 1084.97 1140.90 1159.48 1191.59 1199.07 1208.06 1213.51 1227.48 1233.41 1234.11 1238.31 1242.80 1253.41 1269.20 1323.48 1340.44 1343.30 1367.86 1382.92 1394.86 1424.29 1477.07 1507.47 1517.37 1528.24 1532.22 1557.14 1566.03 1579.97 1582.99 1589.88 1596.60 1603.84 1615.48 1620.16 1630.84 1647.78 1669.97 1670.82 1674.62 1678.71 1684.00 1698.26 1706.78 1712.12 1720.80 1761.26 1770.16 1785.29 1789.46 1806.32 1829.30 1845.32 1881.47 1891.92 1897.75 1912.20 1921.88 1930.19 1938.28 1972.80 1977.98 1993.01 2004.79 2006.20 2029.38 2044.06 2068.49 2073.42 2078.39 2083.42 2088.29 2089.92 2116.12 2136.87 2148.87 2159.82 2196.86 2215.33 2221.51 2226.26 2237.56 2252.81 2254.01 2258.08 2264.92 2272.60 2277.86 2303.70 2327.06 2331.82 2338.85 2340.97 2343.42 2353.46 2354.33 2358.86 2364.74 2368.61 2370.30 2385.22 2395.61 2400.48 2409.60 2419.76 2453.37 2535.11 2535.26 2578.12 2578.61 2628.41 2631.21 2774.69 2785.98 4592.59 4612.36 4612.66 4622.46 4623.60 4632.21 4643.64 4674.21 4684.87 4691.16 4697.16 4703.52 4710.70 4713.78 4719.84 4730.87 4733.60 4751.27 4757.97 4787.95 4792.67 4800.13 4806.23 4812.23 4821.42 4836.70 4849.17 4851.32 4860.26 4871.01 4873.90 4908.09 5276.37 5369.05 5583.69 5621.96 0.661656 0.694170 0.695115 0.590629 -1899.939552 -1899.907038 -1899.906094 -1900.010580 3.504478D-04 MUNgauss RevisionA2.0 retrievium 03-Feb-2020 DUDE CCSc1c(cccn1)C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NCCc4c([nH]c5c4cccc5)C C39674040 RHF 6-31G(d) (6D,10F) C1 506.258972 |X|Y|Z| 64.796978 51.818036 144.416804 78.562955 30 6 7 25 5 |36.858105| |12.481090|36.858105| |6.982639|10.458411|388.023441| |4.577770|6.814311|76.223756|36.858105| |3.533751|4.617870|48.873747|13.562229|36.858105| |2.916534|3.703237|33.522200|7.973564|13.765630|36.858105| |2.857771|3.686251|30.045470|6.972555|7.951110|13.768617|36.858105| |3.364165|4.604980|34.746728|8.362288|7.038182|8.074193|13.810927|36.858105| |4.360292|6.684917|51.058378|14.488564|8.014454|6.932163|7.999668|14.399124|53.358707| |3.288926|3.959276|43.486600|7.512432|12.737141|7.632945|5.057533|4.534206|6.920348|36.858105| |3.360622|3.893758|43.986394|6.299219|8.071118|5.522968|4.109385|3.873833|6.051582|15.864976|73.516695| |2.828064|3.279047|32.238448|5.283536|7.804967|6.356911|4.397194|3.813474|5.492313|13.869452|15.054502|53.358707| |2.754623|3.197931|29.171111|4.836358|6.459404|5.862305|4.367379|3.805244|5.351904|7.615959|9.560728|17.631447|36.858105| |2.489551|2.749408|24.122995|3.617315|4.358290|3.985274|3.225902|2.925899|4.150502|5.294211|7.751331|10.899610|12.327383|36.858105| |2.190642|2.406091|20.667881|3.148065|3.810157|3.674715|3.012061|2.680993|3.706404|4.531574|6.808504|9.087195|8.855171|17.539732|0.500000| |2.589325|2.787429|25.398600|3.550729|4.201086|3.625010|2.925107|2.714053|3.964773|5.673775|9.131197|11.035869|7.807889|12.251526|0.248170|36.858105| |2.555072|2.820186|26.750444|3.937450|5.045926|4.332622|3.309628|2.971738|4.291465|7.875224|12.559531|17.891124|7.992449|8.149195|0.202326|12.376721|36.858105| |3.113060|3.265467|30.350327|3.838910|4.214686|3.435255|2.846484|2.762124|4.211251|5.511547|9.444012|8.687713|6.129050|7.379660|0.152294|12.328608|7.481874|36.858105| |3.038780|3.055717|28.232945|3.384154|3.605998|2.960661|2.499927|2.455548|3.761056|4.697301|9.129608|6.692660|4.317507|4.838677|0.113216|7.472864|6.091412|12.529013|36.858105| |2.474306|2.464991|21.475187|2.697623|2.895657|2.500272|2.147939|2.087704|3.111879|3.624165|6.866730|5.395911|3.623887|4.335134|0.108283|6.476434|5.136405|7.710825|12.597855|53.358707| |2.376147|2.332765|20.070181|2.495954|2.644220|2.297169|1.995313|1.950845|2.907411|3.255401|6.337816|4.677136|3.101220|3.553898|0.090887|4.928975|4.313337|5.684921|9.141195|25.688919|0.500000| |2.424322|2.387785|20.182609|2.533621|2.677971|2.337126|2.037267|1.993791|2.966080|3.235725|5.960757|4.831269|3.417591|4.181444|0.104161|5.779352|4.363655|7.072540|9.203989|25.675473|0.328309|0.500000| |2.182162|2.231414|19.402892|2.574825|2.866847|2.548337|2.164857|2.053461|2.990566|3.632808|6.690975|5.763667|3.845598|4.839373|0.128934|7.484125|6.030108|6.505459|7.559566|17.231464|0.255024|0.255740|36.858105| |2.213441|2.315029|20.116658|2.769397|3.159854|2.844452|2.386862|2.230134|3.213000|3.994328|6.846846|6.940799|4.987650|7.400153|0.199243|12.407532|7.425601|7.617645|6.469610|10.426618|0.157371|0.194381|12.478469|36.858105| |2.481030|2.691192|22.301008|3.244036|3.629921|3.353635|2.884750|2.710214|3.862477|4.032482|6.143993|7.015436|7.454292|12.487062|0.246515|7.300009|5.059114|6.283466|4.242425|5.313545|0.089884|0.112015|4.077584|5.775176|36.858105| |2.816125|3.037456|24.675284|3.468178|3.695598|3.313034|2.909582|2.828285|4.136145|3.970665|6.115471|6.390860|6.420497|8.006698|0.163391|6.072928|4.423853|6.458890|4.327616|5.177540|0.088487|0.111121|3.695480|4.776070|15.824670|73.516695| |2.127018|2.275415|18.275267|2.667784|2.954002|2.833710|2.504718|2.344674|3.273177|3.215229|5.035194|5.429548|5.278300|7.822983|0.212623|5.402949|4.061162|4.582393|3.459224|4.630988|0.080194|0.099361|3.672562|5.099761|14.186845|15.122225|53.358707| |2.015862|2.124243|16.420406|2.362916|2.527214|2.438346|2.228121|2.129702|2.971694|2.663008|4.253236|4.251127|3.926429|4.990880|0.134149|3.943405|3.130746|3.675156|2.931019|3.958002|0.070301|0.086858|3.020705|3.844958|7.769615|12.170197|17.747691|36.858105| |1.735801|1.817812|13.953636|2.016597|2.161681|2.123397|1.959595|1.861804|2.565227|2.276131|3.689900|3.599399|3.177779|3.917770|0.112962|3.257020|2.701425|2.971632|2.494325|3.476116|0.062989|0.075887|2.717310|3.360320|5.106550|7.933433|10.567611|12.454278|36.858105| |1.628643|1.685787|12.650262|1.809089|1.901014|1.866860|1.754254|1.690829|2.332860|1.972747|3.237749|3.030264|2.607086|3.058372|0.086086|2.657478|2.256223|2.525109|2.181563|3.038601|0.056045|0.066756|2.316307|2.732806|3.845890|6.467634|6.833627|7.561621|12.682208|36.858105| |1.538010|1.596532|11.807492|1.703362|1.777573|1.766377|1.685573|1.629331|2.228206|1.813120|2.973617|2.747482|2.351722|2.650902|0.074625|2.304547|2.011802|2.204180|1.923728|2.646108|0.049338|0.057454|2.006213|2.325902|3.230346|5.542531|5.422496|5.470212|7.409331|14.046804|36.858105| |1.459342|1.497472|10.951375|1.560777|1.610413|1.591328|1.528038|1.491819|2.050371|1.640278|2.719875|2.449099|2.055332|2.290029|0.063804|2.049396|1.800478|1.998351|1.777383|2.455610|0.046246|0.053575|1.838016|2.081228|2.737436|4.813072|4.392684|4.215387|5.157769|8.551294|13.868393|53.358707| |1.388896|1.424599|10.335805|1.476472|1.516614|1.505587|1.457341|1.426831|1.953926|1.533596|2.548066|2.271172|1.892892|2.073851|0.057772|1.865245|1.660448|1.824903|1.635479|2.249469|0.042628|0.048797|1.679356|1.883034|2.435923|4.308994|3.820419|3.526493|4.139066|5.993083|9.050053|26.101866|0.500000| |1.482409|1.505290|11.049360|1.551662|1.597382|1.559892|1.486955|1.457060|2.022078|1.645435|2.750780|2.454903|2.040020|2.309527|0.063895|2.110780|1.829989|2.080667|1.866310|2.612600|0.049236|0.057756|1.941392|2.180274|2.770439|4.902818|4.423745|4.240086|5.093962|8.328193|8.486207|18.917007|0.251020|36.858105| |1.587569|1.616989|12.053712|1.690129|1.756091|1.704342|1.603912|1.562255|2.176696|1.832545|3.053379|2.774851|2.327765|2.720406|0.075397|2.470776|2.092206|2.411632|2.133467|3.015747|0.056116|0.067309|2.259256|2.588931|3.350578|5.820861|5.583049|5.650559|7.271395|13.151642|8.465503|11.630697|0.165901|13.625674|36.858105| |1.610379|1.621414|12.165167|1.677519|1.739815|1.667478|1.557522|1.522113|2.141168|1.841416|3.104652|2.781210|2.291186|2.717594|0.074704|2.560067|2.138162|2.534140|2.280135|3.298540|0.061472|0.075125|2.448108|2.758748|3.300906|5.767837|5.336663|5.005951|5.781283|7.268023|5.243254|7.313796|0.118898|7.909173|13.628630|36.858105| |1.521471|1.514439|11.237557|1.535091|1.576237|1.507976|1.418525|1.396732|1.969915|1.661223|2.830645|2.468733|1.996741|2.312388|0.063239|2.228669|1.895651|2.246695|2.074800|3.008014|0.057053|0.068499|2.196917|2.394553|2.724160|4.855289|4.201380|3.729117|4.093921|5.004371|4.163637|6.330752|0.109469|6.938224|7.963371|13.842883|36.858105| |1.428371|1.421975|10.413415|1.429818|1.459210|1.406082|1.336672|1.320954|1.854191|1.518605|2.585127|2.236191|1.807180|2.044760|0.056008|1.953860|1.694395|1.971687|1.825944|2.605756|0.049826|0.058446|1.900379|2.059765|2.385050|4.285054|3.637424|3.226400|3.554431|4.542430|4.174409|7.022258|0.126262|8.047848|6.862064|7.884547|13.587118|36.858105| |1.410245|1.416471|10.323637|1.434524|1.465400|1.424555|1.362459|1.343967|1.873157|1.510207|2.550245|2.227214|1.819447|2.039218|0.056109|1.908171|1.667231|1.907727|1.744746|2.455275|0.046779|0.054439|1.804410|1.981107|2.393971|4.290160|3.694551|3.359064|3.800616|5.255592|5.277633|10.338252|0.185023|13.686052|7.794486|6.756020|7.871391|13.841573|36.858105| |1.499968|1.575795|11.613923|1.707278|1.788150|1.808130|1.743477|1.674225|2.257294|1.797523|2.924306|2.718900|2.341602|2.563617|0.072900|2.190398|1.956863|2.072391|1.804729|2.450457|0.045826|0.052413|1.869142|2.168667|3.046677|5.188469|5.005298|4.681195|5.825981|7.330006|12.725715|10.457470|0.194545|5.214609|5.105163|3.739042|3.137246|3.169111|3.846216|36.858105| |17.568501|8.879712|36.645446|3.858591|3.053427|2.616001|2.627262|3.109778|5.289971|2.813443|5.049349|3.367395|2.449164|2.233236|0.055232|2.287521|2.248027|2.689446|2.616579|2.985523|0.058758|0.060255|1.955583|1.988797|2.256695|4.539381|2.678432|1.893785|1.643916|1.559699|1.485433|1.930865|0.037699|1.437376|1.525088|1.540802|1.465255|1.387191|1.373740|1.452603|0.500000| |17.560826|8.763262|46.045749|4.264350|3.438175|2.824731|2.711605|3.099331|5.327897|3.314674|5.993078|3.976151|2.885007|2.666315|0.064405|2.797681|2.679398|3.483500|3.387713|3.711120|0.072209|0.075143|2.355311|2.390694|2.704966|5.576383|3.129510|2.187136|1.862613|1.747615|1.637710|2.117030|0.040927|1.591167|1.713337|1.749625|1.651895|1.541666|1.514328|1.581732|0.301696|0.500000| |17.565300|8.768721|46.323211|4.236053|3.358793|2.772246|2.689149|3.109986|5.385663|3.209470|6.052620|3.713870|2.584916|2.353957|0.058058|2.501334|2.508346|2.993090|3.038018|3.374058|0.067183|0.066733|2.175005|2.162540|2.304755|4.560613|2.709418|1.875395|1.632634|1.530268|1.442536|1.866931|0.036280|1.397572|1.497247|1.527492|1.448825|1.358032|1.334824|1.404999|0.301786|0.300714|0.500000| |8.798769|17.632443|56.413572|6.536393|4.553292|3.770966|3.841795|4.873812|9.388043|3.806496|6.363480|4.449276|3.337080|2.851144|0.068999|2.797045|2.775671|3.242854|2.926803|3.255086|0.062182|0.065126|2.186566|2.314778|2.861671|5.850092|3.285178|2.274998|1.927310|1.791152|1.703991|2.168905|0.042126|1.592722|1.707624|1.697292|1.578592|1.487135|1.491149|1.688966|0.211877|0.210296|0.172402|0.500000| |8.806256|17.657840|56.569411|6.409341|4.360905|3.641501|3.773488|4.909860|9.691059|3.639286|6.413189|4.082746|2.891773|2.476039|0.061303|2.497667|2.582218|2.832529|2.687985|3.016514|0.058804|0.059360|2.037418|2.103554|2.398554|4.706332|2.807985|1.930127|1.675802|1.559630|1.487771|1.903054|0.037126|1.399161|1.493823|1.492542|1.398902|1.320742|1.319396|1.479151|0.212729|0.172451|0.209925|0.302760|0.500000| |2.546791|3.101786|27.632315|5.652747|8.935242|17.717759|8.907055|5.695219|6.782009|7.078009|9.244240|9.256176|6.149222|4.197596|0.112004|3.754889|4.666314|3.367898|2.904354|3.416332|0.063915|0.064872|2.633036|2.976679|3.402670|5.748634|3.981416|2.475277|2.183669|1.898918|1.792337|2.184135|0.042102|1.569797|1.721978|1.681988|1.514097|1.408472|1.428185|1.841985|0.063961|0.069443|0.067934|0.087450|0.084345|0.500000| |2.480616|3.088900|24.276564|5.007565|5.637556|8.858657|17.754415|8.901122|7.753068|4.102974|6.116579|5.137040|3.821132|2.930569|0.078027|2.632486|2.956661|2.518594|2.230434|2.665458|0.050743|0.051825|1.995729|2.201463|2.647851|4.681750|3.210902|2.117256|1.891970|1.700425|1.648334|2.032337|0.039729|1.443136|1.548040|1.493953|1.362008|1.289952|1.321179|1.723799|0.064434|0.065699|0.065219|0.089671|0.088377|0.212479|0.500000| |3.142577|4.177544|28.917892|5.907125|5.038724|5.690570|8.907922|17.720590|12.743455|3.611339|5.679320|4.284144|3.187697|2.550713|0.065706|2.367983|2.548471|2.414800|2.173632|2.555225|0.049050|0.050172|1.844277|1.990618|2.416097|4.493748|2.901423|1.971899|1.741640|1.600727|1.557571|1.952352|0.038335|1.395405|1.482783|1.439253|1.328068|1.265120|1.291623|1.609252|0.083265|0.079713|0.080605|0.124474|0.127941|0.124331|0.213208|0.500000| |3.140366|3.736109|33.908013|5.671817|7.029778|5.984413|4.660545|4.264594|6.209424|7.210870|9.188926|12.261995|17.651981|8.757026|0.175938|6.373178|6.042127|6.059865|4.226591|4.685422|0.082475|0.091928|3.461099|4.291689|7.280757|13.166634|6.800341|3.943037|3.102804|2.603531|2.368101|2.835440|0.053431|2.065439|2.338665|2.293621|2.009821|1.829511|1.846505|2.355539|0.077057|0.092022|0.079895|0.111522|0.091599|0.156931|0.109863|0.098209|0.500000| |2.482402|2.893999|25.262992|4.384221|5.865983|6.203274|4.688343|3.868932|5.134699|6.138990|8.005146|12.214307|17.606145|8.742825|0.226659|5.734315|6.173187|4.571829|3.490155|4.165476|0.074405|0.080869|3.305863|4.197132|6.216037|9.361973|6.755024|3.775893|3.154105|2.584437|2.369277|2.793062|0.052763|2.005505|2.268556|2.194657|1.911811|1.747615|1.778639|2.415636|0.062371|0.071117|0.064799|0.084584|0.074423|0.196548|0.118216|0.090831|0.301843|0.500000| |2.238865|2.459772|22.382213|3.377569|4.295832|3.985526|3.101927|2.731008|3.826553|5.991293|9.671235|12.419380|6.717721|7.191533|0.215167|8.810489|17.522839|5.479186|4.744897|6.035426|0.106544|0.106924|5.631520|7.041552|4.593565|6.891008|5.374920|3.035548|2.703775|2.240894|2.002275|2.427775|0.045732|1.804531|2.062461|2.097021|1.854656|1.660767|1.639438|1.960659|0.055582|0.064662|0.061195|0.067654|0.063611|0.125157|0.079165|0.065939|0.139219|0.164476|0.500000| |2.617746|2.851010|27.611702|3.883284|4.813639|4.015479|3.120611|2.859294|4.199143|7.718678|15.173087|12.500087|5.791629|5.706390|0.144279|8.540661|17.711883|6.873065|6.763698|7.499359|0.133590|0.123419|6.185257|6.308875|4.074084|6.672963|4.590063|2.718937|2.381802|2.034922|1.826920|2.255286|0.042663|1.692780|1.917530|1.977274|1.779298|1.595506|1.560343|1.771895|0.063478|0.075850|0.072852|0.076061|0.072884|0.117063|0.077192|0.068392|0.135593|0.131404|0.302534|0.500000| |3.674193|3.978932|39.529098|4.831946|5.203679|3.981482|3.259965|3.215547|5.065186|6.788926|11.196751|9.722614|6.786374|6.737559|0.137925|8.694378|6.916878|17.635441|9.025430|7.642098|0.127175|0.144699|4.863819|5.504980|5.833082|11.503244|5.698884|3.445277|2.770609|2.387543|2.122857|2.623707|0.049258|1.984053|2.264211|2.337990|2.088903|1.863011|1.820683|2.024284|0.086009|0.114559|0.096531|0.109627|0.093381|0.104484|0.078148|0.076712|0.206699|0.136244|0.139428|0.179602|0.500000| |3.031163|3.109466|27.069132|3.416109|3.620059|3.049400|2.609936|2.564460|3.885313|4.356283|7.363918|6.756427|5.297930|6.748339|0.141780|8.781771|5.480741|17.593695|8.907853|9.459800|0.144772|0.207829|5.725031|6.857252|7.059047|14.117840|6.978981|4.226714|3.301334|2.811866|2.415082|2.984593|0.055156|2.311070|2.715276|2.889685|2.538733|2.198647|2.113372|2.228478|0.073894|0.096235|0.079680|0.087637|0.074529|0.082727|0.064889|0.063272|0.152345|0.114900|0.123001|0.138616|0.307363|0.500000| |3.015767|3.078052|29.517040|3.555725|3.856850|3.126592|2.602976|2.539250|3.892326|5.276653|11.253850|7.141717|4.226951|4.445429|0.107168|6.677494|6.658095|8.720295|17.649504|12.351218|0.223475|0.180807|6.866106|5.677908|3.721476|6.612451|4.197412|2.612989|2.264730|1.987257|1.774093|2.231852|0.042181|1.706730|1.930605|2.040834|1.867578|1.662274|1.598271|1.685075|0.071737|0.090768|0.085560|0.080253|0.076426|0.085504|0.064255|0.062026|0.112596|0.096198|0.141831|0.239417|0.212344|0.172972|0.500000| |3.351208|3.230899|29.026572|3.287032|3.338312|2.737844|2.368728|2.381367|3.701988|4.104798|8.021710|5.553414|3.713674|4.018914|0.094939|5.452901|4.627866|8.795538|17.631334|12.356531|0.222077|0.225695|5.570337|4.880650|3.762998|7.155850|4.244328|2.746375|2.338837|2.089799|1.855335|2.360107|0.044477|1.829086|2.071308|2.224226|2.053724|1.816032|1.727077|1.734353|0.079505|0.106695|0.093739|0.085042|0.077912|0.073259|0.058671|0.059101|0.105324|0.085277|0.104647|0.140367|0.214172|0.216323|0.301621|0.500000| |2.162917|2.229306|19.696507|2.636256|2.976622|2.644685|2.224823|2.094923|3.043386|3.865702|7.368126|6.030442|3.775203|4.449412|0.120629|6.700106|6.591870|5.708911|6.905594|12.445192|0.225210|0.181263|17.628943|8.746284|3.607861|5.845965|4.405123|2.677697|2.431810|2.089890|1.839612|2.297562|0.043172|1.764865|2.024504|2.161542|1.957264|1.719122|1.644766|1.738289|0.053682|0.063946|0.060536|0.060028|0.057093|0.076544|0.056945|0.052068|0.093173|0.091127|0.175376|0.208715|0.127241|0.132433|0.205545|0.142495|0.500000| |1.968786|1.994184|16.870484|2.247688|2.469665|2.238753|1.936442|1.842351|2.661274|3.017800|5.533184|4.698242|3.232023|4.016867|0.110859|5.455982|4.585937|4.898576|5.561717|12.365861|0.222865|0.224626|17.623824|8.752775|3.570976|5.771796|4.603263|2.867516|2.661350|2.293837|1.980669|2.488666|0.046379|1.948492|2.269498|2.497129|2.258525|1.940026|1.824180|1.830582|0.049586|0.058884|0.054590|0.054454|0.050948|0.064363|0.050126|0.046457|0.081815|0.079618|0.125512|0.129276|0.107559|0.128967|0.141842|0.126445|0.301386|0.500000| |2.156072|2.230267|18.821032|2.570477|2.859463|2.598138|2.229172|2.106614|3.033008|3.450856|5.860216|5.796098|4.484682|6.785321|0.180569|8.797449|5.453919|6.823525|5.650422|9.327648|0.143426|0.203344|8.874307|17.522389|6.352675|9.293899|8.114027|4.520418|3.909670|3.132145|2.592218|3.148756|0.057450|2.460931|2.996259|3.261581|2.772380|2.331160|2.222084|2.361022|0.054277|0.065325|0.058013|0.062641|0.056063|0.074658|0.057425|0.052742|0.112005|0.106887|0.144049|0.131729|0.139641|0.201144|0.131089|0.127597|0.172982|0.215423|0.500000| |2.007446|2.116828|18.184813|2.578963|2.985865|2.777105|2.333907|2.146052|3.033809|3.712835|6.296926|6.544164|4.707645|6.742788|0.214287|8.762035|6.903160|5.508050|4.861362|7.614249|0.127066|0.143125|8.994606|17.560163|5.135762|7.334491|6.649495|3.670211|3.354609|2.697920|2.309664|2.793264|0.051692|2.129790|2.519744|2.648533|2.293766|1.987731|1.926532|2.177543|0.050543|0.059413|0.054594|0.058925|0.054157|0.082717|0.060629|0.053424|0.109077|0.116400|0.215813|0.159919|0.122563|0.139687|0.127450|0.107455|0.214292|0.212191|0.303874|0.500000| |1.966933|2.111826|17.051501|2.528568|2.849931|2.793020|2.458017|2.262293|3.113235|3.122645|4.896958|5.361959|5.084332|7.464128|0.244359|5.180094|4.090752|4.121520|3.225136|4.406797|0.077098|0.092739|3.649448|5.125484|9.427547|10.895931|26.072761|9.003323|7.511758|4.738980|3.831479|4.196332|0.075037|3.066968|3.821392|3.632473|2.888224|2.519715|2.568252|3.632697|0.050646|0.058389|0.051590|0.061703|0.053816|0.081972|0.065085|0.057203|0.126343|0.139677|0.115991|0.093490|0.104299|0.121692|0.081761|0.079794|0.090668|0.094486|0.160522|0.147160|0.500000| |2.090755|2.164815|16.622294|2.324879|2.443535|2.311473|2.116212|2.054608|2.912061|2.592211|4.208243|4.057676|3.629686|4.585864|0.118501|3.895564|3.030597|3.840599|3.091493|4.205543|0.074514|0.094884|3.108864|3.859048|7.018133|12.483293|12.488821|17.621850|8.812586|6.962910|4.998859|5.662580|0.096347|4.461502|6.120208|5.868791|4.290968|3.584461|3.616371|4.076003|0.054554|0.063859|0.053971|0.064227|0.054201|0.064378|0.055426|0.052925|0.103349|0.093961|0.080117|0.074467|0.098773|0.128591|0.074990|0.081857|0.075328|0.082417|0.129854|0.098792|0.183570|0.500000| |2.066831|2.199134|16.696791|2.436439|2.577895|2.513915|2.335227|2.244388|3.110989|2.637613|4.169596|4.139096|3.889899|4.570796|0.120676|3.562044|2.934426|3.396334|2.715898|3.570751|0.064141|0.077345|2.683509|3.328385|6.885115|11.911692|12.383692|17.581891|8.819149|6.795367|5.635183|5.839841|0.101680|4.088789|5.029513|4.273924|3.349660|3.026955|3.241549|5.163275|0.054298|0.062024|0.052883|0.066433|0.055555|0.070198|0.061823|0.058057|0.112399|0.106178|0.078532|0.071164|0.091898|0.106665|0.068090|0.071570|0.067418|0.070227|0.104117|0.088443|0.192704|0.303898|0.500000| |1.671943|1.769619|13.604821|2.004653|2.170703|2.172672|2.011315|1.888241|2.566109|2.265954|3.643354|3.603127|3.202861|3.848245|0.114996|3.119802|2.669923|2.780263|2.339813|3.231891|0.058908|0.069221|2.562515|3.170155|4.757425|7.221173|9.560118|8.867443|17.532515|8.906155|6.922434|6.396538|0.109236|4.329515|5.489895|4.440987|3.386039|3.055384|3.317517|6.464370|0.044040|0.049356|0.043742|0.052152|0.045655|0.062746|0.054495|0.049145|0.085650|0.091247|0.075492|0.065000|0.072936|0.083424|0.059984|0.060576|0.064863|0.069402|0.098831|0.090295|0.213030|0.173568|0.213547|0.500000| |1.685399|1.753812|13.606654|1.948892|2.100873|2.050568|1.875091|1.776989|2.458437|2.253762|3.694889|3.584544|3.084568|3.915427|0.115397|3.380680|2.774897|3.032658|2.585270|3.710388|0.067118|0.081528|2.960868|3.678297|4.859496|7.374302|9.825209|8.874877|17.508679|8.962631|5.702907|6.035468|0.100933|4.666157|6.784727|6.174179|4.292238|3.570117|3.652577|4.574829|0.044167|0.050274|0.044396|0.051099|0.044958|0.058928|0.050199|0.046035|0.082021|0.084040|0.077984|0.068190|0.076709|0.093322|0.065016|0.066757|0.072653|0.082101|0.122176|0.103430|0.208357|0.209364|0.173683|0.303988|0.500000| |1.683249|1.696391|12.915851|1.774019|1.853972|1.764588|1.630023|1.586134|2.240256|1.991156|3.362025|3.040283|2.500221|3.053573|0.083969|2.912967|2.377930|2.861764|2.563943|3.780925|0.069635|0.087355|2.828782|3.226853|3.723555|6.380167|6.089686|5.491116|6.116496|6.439883|4.545802|5.911956|0.099077|5.615753|8.833500|17.693747|8.941167|5.617039|4.889291|3.430163|0.044375|0.050978|0.044480|0.049093|0.043212|0.049606|0.043229|0.041375|0.068847|0.065774|0.064734|0.060827|0.071834|0.091684|0.063050|0.068794|0.068111|0.080711|0.109562|0.085362|0.114611|0.184294|0.122701|0.127772|0.199552|0.500000| |1.515375|1.496502|11.136822|1.506479|1.544130|1.468281|1.377087|1.358690|1.925476|1.638755|2.817442|2.424097|1.933711|2.240594|0.061074|2.210303|1.880016|2.249612|2.116383|3.114491|0.059546|0.071607|2.254053|2.406631|2.593473|4.633481|3.912119|3.330071|3.541446|4.031493|3.402811|5.015294|0.089617|4.985883|5.651497|8.952889|17.715811|8.888045|5.631421|2.686223|0.040471|0.045809|0.040301|0.043038|0.038381|0.040913|0.036631|0.035839|0.053944|0.051065|0.050975|0.049447|0.057689|0.070597|0.052768|0.058527|0.055548|0.065112|0.077463|0.063636|0.074964|0.106734|0.082821|0.082876|0.105475|0.215720|0.500000| |1.364475|1.349798|9.833767|1.343643|1.364856|1.313825|1.252963|1.242800|1.746859|1.418484|2.429572|2.071824|1.656848|1.855595|0.050746|1.793930|1.570486|1.822658|1.710993|2.444042|0.047177|0.054689|1.771079|1.890095|2.129823|3.845223|3.187160|2.748155|2.964222|3.616962|3.413771|5.628575|0.106474|5.690885|4.946775|5.634886|8.882439|17.720752|8.974732|2.721855|0.036945|0.040841|0.036159|0.039070|0.034924|0.036485|0.033605|0.033159|0.046642|0.044479|0.042728|0.041398|0.047996|0.056088|0.043452|0.047572|0.044745|0.050388|0.058832|0.050644|0.061634|0.084192|0.072336|0.072417|0.083128|0.124028|0.215626|0.500000| |1.337297|1.342235|9.706404|1.351649|1.375052|1.342158|1.292562|1.278504|1.776714|1.407485|2.380281|2.060997|1.675509|1.850223|0.050937|1.733539|1.533735|1.736161|1.597158|2.234153|0.042822|0.049175|1.639132|1.786257|2.143746|3.856077|3.260813|2.901748|3.231513|4.290194|4.599988|9.119978|0.187892|8.832239|5.570572|4.890662|5.603241|8.901450|17.713157|3.589031|0.036380|0.039705|0.035179|0.039264|0.034887|0.037320|0.034938|0.034308|0.047345|0.045726|0.041935|0.040035|0.046390|0.052951|0.040921|0.044052|0.041850|0.045946|0.054958|0.048402|0.063382|0.085273|0.079480|0.080965|0.085695|0.106435|0.123795|0.215043|0.500000| |1.382573|1.448914|10.666917|1.568409|1.643191|1.669220|1.615314|1.548864|2.080319|1.652779|2.705670|2.487025|2.106838|2.290187|0.065718|1.987974|1.799308|1.875733|1.656279|2.262837|0.042624|0.048219|1.733167|1.987024|2.642380|4.481862|4.267720|3.789578|4.724596|5.770819|8.900130|9.336010|0.191613|4.732531|4.437094|3.367130|2.912570|2.997990|3.650621|17.541560|0.037281|0.040311|0.036159|0.042898|0.038004|0.047409|0.044629|0.041527|0.058437|0.060593|0.050435|0.045559|0.050832|0.055527|0.043236|0.044234|0.045033|0.047474|0.059642|0.055881|0.087842|0.093851|0.111815|0.146606|0.110652|0.085647|0.069862|0.072583|0.097279|0.500000| 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