Version2.0 2020-01-07T21:34:17Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 09-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1ccccc1CNC(=O)[C@@H]2C[C@H](C[NH+]2C3Cc4ccccc4C3)Sc5[nH]c6ccccc6n5 C11785179 RHF 6-31G(d) (6D,7F) COc1ccccc1CNC(=O)[C@@H]2C[C@H](C[NH+]2C3Cc4ccccc4C3)Sc5[nH]c6ccccc6n5 C01[X(C29H31N4O2S1)] 195 C1 606 COc1ccccc1CNC(=O)[C@@H]1C[C@H](C[NH+]1C1Cc2c(C1)cccc2)Sc1nc2c([nH]1)cccc2 COc1ccccc1CNC(=O)[C@@H]1C[C@H](C[NH+]1C1Cc2c(C1)cccc2)Sc1nc2c([nH]1)cccc2 COc1ccccc1CNC(=O)[C@@H]2C[C@H](C[NH+]2C3Cc4ccccc4C3)Sc5[nH]c6ccccc6n5 InChIKey=KZJWWSQIPPFRQA-BVAGGSTKSA-O InChI=1S/C29H30N4O2S/c1-35-27-13-7-4-10-21(27)17-30-28(34)26-16-23(36-29-31-24-11-5-6-12-25(24)32-29)18-33(26)22-14-19-8-2-3-9-20(19)15-22/h2-13,22-23,26H,14-18H2,1H3,(H,30,34)(H,31,32)/p+1/t23-,26+/m1/s1 InChI=1/C29H30N4O2S/c1-35-27-13-7-4-10-21(27)17-30-28(34)26-16-23(36-29-31-24-11-5-6-12-25(24)32-29)18-33(26)22-14-19-8-2-3-9-20(19)15-22/h2-13,22-23,26H,14-18H2,1H3,(H,30,34)(H,31,32)/p+1/t23-,26+/m1/s1/fC29H31N4O2S/h30-31,33H/q+1 COc1ccccc1CNC(=O)[C@@H]2C[C@H](C[NH+]2C3Cc4ccccc4C3)Sc5[nH]c6ccccc6n5 C01[X(C29H31N4O2S1)] 195 C01 606 COc1ccccc1CNC(=O)[C@@H]1C[C@H](C[NH+]1C1Cc2c(C1)cccc2)Sc1nc2c([nH]1)cccc2 COc1ccccc1CNC(=O)[C@@H]1C[C@H](C[N@H]1C1Cc2c(C1)cccc2)SC1Nc2c(N1)cccc2 COc1ccccc1CNC(=O)[C@@H]2C[C@H](C[NH]2C3Cc4ccccc4C3)SC5Nc6ccccc6N5 InChIKey=RXBQFFWJHPIHCI-BVAGGSTKSA-N InChI=1S/C29H33N4O2S/c1-35-27-13-7-4-10-21(27)17-30-28(34)26-16-23(36-29-31-24-11-5-6-12-25(24)32-29)18-33(26)22-14-19-8-2-3-9-20(19)15-22/h2-13,22-23,26,29,31-33H,14-18H2,1H3,(H,30,34)/t23-,26+/m1/s1 InChI=1/C29H33N4O2S/c1-35-27-13-7-4-10-21(27)17-30-28(34)26-16-23(36-29-31-24-11-5-6-12-25(24)32-29)18-33(26)22-14-19-8-2-3-9-20(19)15-22/h2-13,22-23,26,29,31-33H,14-18H2,1H3,(H,30,34)/t23-,26+/m1/s1/f/h30H 3826.7481822943 -1881.1094973 1-A 25388.0342 132 474 606 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.07444 -20.68236 -20.66283 -15.81814 -15.70830 -15.70748 -15.64130 -11.48587 -11.43645 -11.43382 -11.42791 -11.42521 -11.40461 -11.38262 -11.37194 -11.36630 -11.36375 -11.36288 -11.35879 -11.34931 -11.33916 -11.33774 -11.33152 -11.32698 -11.32601 -11.32205 -11.32085 -11.31893 -11.31673 -11.31444 -11.30960 -11.30915 -11.30468 -11.30245 -11.30182 -11.29713 -9.08492 -6.76792 -6.76643 -6.76437 -1.53601 -1.50617 -1.46660 -1.44846 -1.36376 -1.29191 -1.27646 -1.25072 -1.23731 -1.22084 -1.20225 -1.18534 -1.13655 -1.13400 -1.12919 -1.10185 -1.08950 -1.08716 -1.06874 -1.05566 -1.05483 -1.02800 -1.00140 -0.96406 -0.95597 -0.92857 -0.92085 -0.91749 -0.91324 -0.90064 -0.89894 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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| 6.1657 12.4931 17.0002 20.9048 26.7560 30.7114 38.4901 51.2295 64.6112 70.9231 84.9940 90.4985 113.6342 129.4215 139.3419 167.5324 183.0838 198.9748 207.5180 230.4633 232.6902 253.1284 262.3952 269.3277 279.8767 309.6363 316.4541 336.8123 342.0997 358.1100 374.7341 423.9285 436.9044 450.3078 462.9047 468.6990 483.3039 483.8787 504.5463 516.3146 529.5568 546.9262 566.1699 573.6627 594.4735 597.0964 608.7826 634.0893 634.4636 640.4437 654.6421 662.9880 678.4211 680.6763 730.4402 750.8749 765.6537 783.3923 804.8419 824.3820 837.6261 839.9706 848.0976 852.5942 858.9188 867.4828 881.9766 896.5494 911.9812 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3266.2750 3269.5469 3283.5205 3297.1173 3299.0692 3302.5853 3321.6242 3334.3626 3349.3865 3351.3610 3364.8481 3365.1133 3365.5346 3370.4023 3370.4326 3376.8894 3380.4094 3384.2815 3391.7472 3395.7273 3398.1955 3399.8031 3409.7235 3502.6424 3864.3682 3901.5493 5.4782 5.5466 5.3201 6.2017 4.4268 4.5973 5.4822 4.1686 5.8170 4.4139 4.0843 5.4585 4.8845 7.3529 3.8684 4.3726 4.2969 3.5376 3.0747 4.5713 3.2564 1.8297 2.8286 2.7533 4.9983 2.8147 3.8311 3.5775 6.2884 3.6308 3.5457 2.8953 1.2798 3.6868 2.5838 7.1583 3.0921 3.2911 3.5054 3.5192 3.7540 3.0900 2.9943 3.9498 4.0884 4.1466 3.2210 5.4475 3.6352 4.3340 6.4376 2.6589 6.7638 2.1431 3.9487 4.8386 5.6639 3.1762 3.9154 3.8630 3.5203 2.3803 1.3147 1.7728 1.3584 2.8166 5.1460 4.6995 4.3238 4.7132 3.6996 2.3613 2.2782 1.4254 5.7076 1.3124 1.7969 1.5346 1.8632 1.9485 1.9470 6.7857 1.3544 1.4681 1.6172 2.3504 2.2011 2.7281 1.3116 1.3360 2.3771 3.1387 2.8925 1.4507 3.0201 2.5317 3.8285 2.6225 2.4795 2.4327 2.3594 2.4369 1.6318 1.6741 2.3339 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0.0645 0.3856 0.1189 0.2988 2.4569 0.9771 0.3699 0.1377 0.9057 2.3653 5.1472 15.8618 2.4186 0.8252 2.5249 0.0819 0.2758 0.0136 0.3644 2.4269 2.6771 2.2659 1.4226 14.2291 3.2524 5.3232 8.3032 2.6972 0.5324 6.0711 19.5282 8.3920 114.4807 14.2684 3.1303 14.0077 11.6344 10.9192 0.5552 12.1503 2.6874 1.6568 4.0917 10.8579 10.2011 6.8023 5.8782 2.9247 1.1459 12.6651 3.5798 39.5765 0.3731 85.9833 9.9320 2.7575 0.9565 0.0510 1.7083 0.4199 3.3847 26.0750 57.4436 53.3168 77.9278 7.0939 10.0042 12.8676 8.3133 0.4526 3.8620 22.3434 13.9312 0.0759 6.7232 0.4587 3.9740 0.5289 1.4410 0.1810 4.2820 8.8707 1.6156 2.4982 1.6026 2.5229 1.5934 10.0330 0.0245 0.1202 2.4603 34.8195 64.3032 8.9968 15.0125 3.0374 53.7517 22.7454 14.1257 5.3478 7.8998 12.6764 2.5406 12.0131 10.1951 55.5472 0.3718 1.2789 19.6129 3.3051 24.7072 30.8626 7.2907 0.3121 12.4298 3.2077 3.8378 3.3907 62.8342 14.6064 16.4586 14.3091 143.9721 14.3779 6.4240 198.4052 35.4871 35.1710 8.7178 0.2296 127.8719 2.7236 24.0209 10.7346 14.3115 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855.31 859.09 875.90 912.31 912.85 921.46 941.88 953.89 976.10 979.34 1050.94 1080.34 1101.60 1127.13 1157.99 1186.10 1205.16 1208.53 1220.22 1226.69 1235.79 1248.11 1268.97 1289.93 1312.14 1322.65 1330.28 1348.10 1392.97 1394.46 1399.57 1413.78 1420.97 1466.38 1480.09 1486.60 1531.41 1535.11 1538.93 1543.64 1558.02 1586.18 1597.99 1600.37 1603.95 1613.78 1618.01 1620.74 1631.75 1632.96 1645.81 1657.63 1676.65 1690.96 1731.49 1735.41 1754.25 1757.94 1766.95 1777.99 1783.33 1796.95 1823.75 1846.81 1856.75 1859.01 1873.16 1888.57 1900.59 1914.80 1926.23 1931.43 1937.52 1947.47 1969.88 1971.98 1980.95 1988.08 1996.32 2017.66 2025.62 2049.30 2065.39 2072.98 2088.05 2091.42 2095.23 2107.92 2119.48 2157.82 2167.46 2204.95 2211.42 2223.63 2273.56 2301.25 2329.70 2335.91 2346.95 2352.18 2353.67 2358.15 2362.98 2371.86 2373.53 2381.51 2384.32 2389.15 2390.78 2398.30 2412.31 2444.37 2504.79 2574.39 2575.92 2578.11 2608.09 2608.49 2624.79 2753.51 4625.88 4628.05 4638.96 4683.85 4688.84 4699.44 4704.15 4724.25 4743.82 4746.62 4751.68 4779.08 4797.40 4819.02 4821.86 4841.27 4841.65 4842.25 4849.26 4849.30 4858.59 4863.66 4869.23 4879.97 4885.69 4889.25 4891.56 4905.83 5039.52 5559.96 5613.46 0.602283 0.631584 0.632528 0.535076 -1880.507214 -1880.477913 -1880.476969 -1880.574422 3.268590D-04 MUNgauss RevisionA2.0 retrievium 07-Jan-2020 DUDE COc1ccccc1CNC(=O)[C@@H]2C[C@H](C[NH+]2C3Cc4ccccc4C3)Sc5[nH]c6ccccc6n5 C11785179 RHF 6-31G(d) (6D,10F) C1 499.216773 |X|Y|Z| 99.370843 119.493599 35.138831 74.724607 33 6 7 16 28 4 1 |36.858105| |13.532967|73.516695| |7.967625|24.928847|36.858105| |6.699855|13.989678|13.781307|36.858105| |4.505150|9.233968|7.954159|13.698812|36.858105| |3.786881|8.196093|6.862129|7.911942|13.814862|36.858105| |3.989302|9.410999|7.958552|6.882611|7.979012|13.711176|36.858105| |5.253235|14.535083|13.622537|7.888423|6.858983|7.890785|13.785170|36.858105| |4.634174|12.403858|7.572890|5.024083|4.443626|5.006092|7.549357|12.615561|36.858105| |4.557228|11.780028|6.189566|4.356688|3.777789|4.040769|5.391312|7.706810|13.004172|53.358707| |3.528926|8.213837|4.526626|3.530106|3.234618|3.537475|4.553466|5.538425|7.750464|19.629527|36.858105| |2.986537|6.732609|3.912212|3.184422|3.057989|3.480769|4.512805|4.980334|6.665940|11.490598|15.736055|73.516695| |3.253787|7.061053|3.710475|3.047184|2.769460|2.906371|3.471286|4.079218|4.979242|10.693491|12.376896|14.315167|36.858105| |3.511254|7.534892|3.934884|3.275131|2.934388|3.005930|3.498848|4.126265|4.661994|9.645800|8.842228|10.993079|17.655465|0.500000| |3.093985|6.423864|3.217301|2.667382|2.397344|2.469991|2.892537|3.413130|4.218125|8.270081|7.365012|9.935742|12.388692|0.241764|36.858105| |2.515755|5.136526|2.675196|2.275847|2.105936|2.208033|2.570561|2.905327|3.563829|6.297587|5.865609|9.442913|7.932740|0.160388|12.469549|36.858105| |2.489442|5.152265|2.717602|2.293610|2.138858|2.275937|2.692043|3.030279|3.845835|6.582691|6.177175|10.654584|6.878589|0.138944|8.852515|17.625581|0.500000| |2.315865|4.710310|2.531212|2.201425|2.075582|2.191653|2.519348|2.759594|3.239531|5.606228|5.475125|9.461316|7.802612|0.166716|7.975665|12.486637|0.245680|36.858105| |2.610550|5.471474|3.000478|2.579136|2.436353|2.600934|3.038975|3.337199|3.899055|7.098347|7.828686|13.241932|12.609712|0.249200|7.860682|8.019300|0.191716|12.683931|53.358707| |2.550777|5.424220|3.051614|2.612945|2.510056|2.747792|3.276530|3.526174|4.203335|7.364760|8.653245|18.341051|9.574553|0.193202|6.373621|6.914898|0.193067|9.306161|25.441559|0.500000| |2.446187|5.019435|2.818139|2.512047|2.413253|2.558339|2.886925|3.064232|3.331822|5.710284|5.560224|9.682531|7.504799|0.209609|5.228364|5.071022|0.124614|7.393149|17.217828|0.260336|36.858105| |2.054639|4.139957|2.356931|2.149736|2.113243|2.261203|2.507683|2.572711|2.764770|4.441234|4.124714|7.790967|4.875057|0.130645|3.915900|4.177365|0.106993|6.115488|10.191341|0.195196|12.373514|36.858105| |1.935987|3.816335|2.171340|2.027110|1.997220|2.098168|2.260505|2.305598|2.399592|3.788029|3.318588|6.016473|3.905181|0.112078|3.272000|3.340770|0.084697|4.474207|6.974207|0.129611|8.075533|12.599015|36.858105| |1.720274|3.350013|1.921264|1.824124|1.820724|1.911986|2.025324|2.031162|2.084919|3.192776|2.716895|4.988449|3.053900|0.087109|2.648434|2.725262|0.070623|3.461104|5.147849|0.100055|5.144702|7.303063|13.767603|36.858105| |1.640318|3.145190|1.797114|1.729045|1.722933|1.782712|1.858131|1.866152|1.889242|2.871503|2.378131|4.277229|2.669341|0.077737|2.365282|2.384862|0.061570|2.912959|4.266564|0.082014|4.083508|4.969564|7.996388|13.746076|36.858105| |1.727640|3.282490|1.856910|1.790883|1.763597|1.797224|1.864802|1.896834|1.909849|2.933263|2.399142|4.203129|2.750690|0.082316|2.453055|2.409526|0.061289|2.899707|4.260743|0.079748|4.083368|4.476112|6.909197|7.902112|13.710183|36.858105| |1.945943|3.716212|2.079126|1.981294|1.922140|1.948835|2.043048|2.113918|2.142263|3.372889|2.781671|4.762120|3.319934|0.102222|2.920505|2.801440|0.069780|3.416973|5.127761|0.092393|5.144930|5.148724|7.913747|6.803913|7.903268|13.746562|36.858105| |2.083899|4.068956|2.279101|2.128628|2.061271|2.121995|2.272642|2.364174|2.442225|3.933047|3.376410|5.816163|4.173482|0.127254|3.516278|3.409359|0.083972|4.426718|6.949290|0.121208|8.075904|7.983992|13.750564|7.915197|6.910808|7.996537|13.767099|36.858105| |2.413623|4.790193|2.627064|2.385545|2.257475|2.317702|2.540048|2.727254|2.887313|4.899051|4.334416|7.089574|6.023486|0.193210|4.822281|4.424104|0.104367|5.894355|10.045072|0.155323|12.366861|7.729275|7.969987|5.143983|4.474399|4.969278|7.305893|12.585703|36.858105| |2.173922|4.260142|2.202138|1.919951|1.780150|1.839988|2.086347|2.325269|2.748741|4.527985|3.803710|6.308910|4.673358|0.109994|6.718606|10.512532|0.222946|6.952169|6.479189|0.118550|3.671635|3.286662|2.809413|2.384753|2.142692|2.177052|2.483797|2.887904|3.519511|388.023441| |2.241472|4.372873|2.228893|1.926075|1.773432|1.829597|2.085732|2.351088|2.834901|4.518045|3.577613|5.916421|3.982975|0.094744|5.601587|7.004370|0.194634|4.656166|5.095126|0.098762|2.949072|2.644812|2.294442|1.994340|1.813850|1.840071|2.066858|2.348007|2.795612|76.806278|36.858105| |2.000651|3.821096|1.957547|1.719166|1.591057|1.632941|1.835089|2.042776|2.403728|3.696982|2.859471|4.810885|3.109766|0.076745|4.045943|4.736070|0.132083|3.594867|4.052889|0.079355|2.462848|2.267297|2.012273|1.784218|1.642057|1.664786|1.844716|2.054369|2.376828|49.964771|14.060002|53.358707| |1.838399|3.483023|1.797793|1.596426|1.485521|1.522025|1.695246|1.868183|2.161875|3.308942|2.575353|4.371596|2.830807|0.070857|3.585113|4.217786|0.114572|3.389470|3.782167|0.073667|2.349424|2.198756|1.972641|1.762227|1.629166|1.651021|1.819518|2.011630|2.296228|46.265397|9.047695|26.074160|0.500000| |2.035296|3.868996|1.974005|1.729827|1.597035|1.637078|1.841518|2.057014|2.430564|3.636158|2.726083|4.592691|2.840341|0.070664|3.574357|3.934175|0.114668|3.047384|3.615376|0.072143|2.218245|2.038024|1.817084|1.624037|1.500924|1.520190|1.674553|1.851444|2.126095|34.919096|8.698299|18.723475|0.247568|36.858105| |1.852338|3.467274|1.780325|1.580514|1.466079|1.497122|1.665315|1.841401|2.133476|3.111018|2.300641|3.914037|2.362278|0.059930|2.848948|3.058525|0.088686|2.497825|3.030740|0.060867|1.909694|1.776973|1.606278|1.454696|1.355373|1.371620|1.496166|1.633411|1.843343|26.054627|5.347567|10.213997|0.180401|13.726530|36.858105| |1.886729|3.517225|1.805885|1.603424|1.486228|1.516270|1.685735|1.865343|2.158574|3.073308|2.226019|3.793400|2.226192|0.056805|2.621070|2.735102|0.080454|2.260843|2.821753|0.057262|1.788955|1.660638|1.504249|1.367556|1.276656|1.291003|1.403910|1.527785|1.717874|21.824739|4.262147|6.998885|0.124454|8.095999|13.816141|36.858105| |2.115602|3.981773|2.031726|1.781186|1.641658|1.679016|1.885989|2.110066|2.484286|3.489194|2.478784|4.201985|2.416652|0.061301|2.831681|2.891057|0.086778|2.357186|3.001061|0.061424|1.883413|1.728539|1.554749|1.406366|1.308032|1.322486|1.443405|1.579103|1.789275|21.865075|4.290807|6.346215|0.108845|6.971362|7.849996|13.588770|36.858105| |2.390892|4.603625|2.324761|1.996641|1.826483|1.877914|2.145816|2.442307|2.973377|4.256148|3.018957|5.050702|2.920895|0.072626|3.516229|3.572088|0.109717|2.790451|3.550820|0.072762|2.170966|1.961274|1.740237|1.555255|1.435540|1.452217|1.599066|1.770093|2.039250|26.212809|5.471540|7.354738|0.118832|7.899981|6.709690|7.862214|13.826236|36.858105| |2.329538|4.511001|2.278676|1.958088|1.793679|1.846514|2.110696|2.398302|2.924006|4.386722|3.235896|5.379918|3.274729|0.080001|4.178738|4.456657|0.135864|3.302957|4.022744|0.081131|2.409208|2.170179|1.910411|1.691993|1.554231|1.573962|1.744714|1.947281|2.268985|35.219041|9.000509|11.794820|0.167023|13.703789|7.816539|6.916671|8.036571|13.693511|36.858105| |2.503904|4.963337|2.501768|2.120812|1.937002|2.004797|2.320522|2.663400|3.323259|5.272007|4.042292|6.580933|4.234712|0.099302|5.895464|6.585853|0.204685|4.331302|5.114185|0.101762|2.920178|2.572429|2.219105|1.928421|1.752246|1.776192|1.994748|2.268184|2.713416|49.923196|14.875289|11.697799|0.167355|8.369216|5.293110|4.616555|5.131605|7.559075|13.698393|53.358707| |17.579953|16.407170|6.882383|6.664782|4.521033|3.680169|3.725269|4.653746|4.008833|5.570428|3.312253|5.012323|3.155507|0.097479|2.954349|2.405786|0.065204|2.261948|3.491501|0.068890|2.467787|2.068694|1.981105|1.763436|1.697013|1.804980|2.039830|2.158702|2.485227|14.849584|2.107974|2.569291|0.048630|1.896373|1.728736|1.744095|1.926329|2.159058|2.136353|3.143082|0.500000| |17.647900|16.934023|5.860318|4.891564|3.613369|3.182755|3.418244|4.420494|4.276237|5.988189|3.451508|5.145959|3.276713|0.097185|3.259973|2.620689|0.071584|2.361534|3.547280|0.069990|2.405025|2.019396|1.899246|1.683417|1.606089|1.696080|1.916918|2.052889|2.397455|16.362399|2.408727|2.932000|0.054716|2.204239|2.002901|2.042577|2.297605|2.604396|2.532631|3.682683|0.300013|0.500000| |17.593129|16.438341|7.160367|6.751704|4.624414|3.803155|3.881804|4.882098|4.204723|5.293933|3.086727|4.797555|2.807738|0.082507|2.683905|2.250579|0.062584|2.080157|3.157619|0.063753|2.183377|1.871246|1.766818|1.588255|1.517693|1.588065|1.766204|1.880410|2.139170|14.021391|2.052877|2.526677|0.047516|1.907865|1.759100|1.811523|2.036331|2.268305|2.173686|3.120658|0.298845|0.299908|0.500000| |7.420433|12.519261|8.889842|17.762784|8.930541|5.649408|4.960672|5.614488|4.090552|5.092433|3.095805|4.941164|2.783823|0.083975|2.495234|2.126145|0.058924|2.053474|3.222634|0.065684|2.324621|1.998923|1.912367|1.730137|1.658855|1.733607|1.916581|2.029276|2.261863|12.993269|1.834491|2.247617|0.042761|1.662575|1.528238|1.550894|1.713218|1.903162|1.866220|2.729571|0.227798|0.145341|0.217725|0.500000| |3.906848|7.452910|5.663424|8.939631|17.723866|8.934002|5.659115|4.945274|3.552967|4.260489|2.758709|4.681042|2.432489|0.071781|2.134546|1.895544|0.053214|1.881031|2.967244|0.062026|2.190112|1.947238|1.868138|1.724437|1.648910|1.690337|1.824685|1.928963|2.077844|11.574137|1.617295|1.992936|0.038195|1.468693|1.357858|1.376372|1.509409|1.661781|1.632796|2.382322|0.112294|0.088920|0.113586|0.216886|0.500000| |3.130658|6.505539|4.947800|5.630890|8.918607|17.735792|8.894839|5.629042|4.084631|4.635833|3.111178|5.606740|2.603999|0.074260|2.228714|2.033828|0.058344|2.042431|3.268383|0.070898|2.393129|2.166632|2.022601|1.869728|1.745742|1.744165|1.865999|2.020277|2.163782|12.173939|1.695804|2.074640|0.039672|1.525956|1.403142|1.420188|1.562801|1.733132|1.706218|2.507976|0.085449|0.075034|0.087954|0.124227|0.214609|0.500000| |3.333906|7.604366|5.655619|4.956217|5.666419|8.915382|17.707419|8.963379|7.011414|6.919186|4.602584|8.749806|3.433416|0.093290|2.853974|2.612259|0.077297|2.581541|4.232779|0.095909|2.929368|2.597147|2.301796|2.070215|1.877049|1.857681|2.019175|2.266584|2.512085|14.991258|2.104355|2.517901|0.047494|1.853995|1.674981|1.693311|1.892656|2.154737|2.124019|3.183252|0.086675|0.082283|0.090132|0.107641|0.124340|0.214927|0.500000| |3.681921|8.927346|5.590958|4.182162|3.983880|4.757769|7.277674|8.891278|17.680509|12.584118|7.523388|13.858979|4.697881|0.117620|3.958597|3.556524|0.110231|3.284954|5.363228|0.123840|3.338816|2.847000|2.425109|2.118721|1.897994|1.890514|2.098096|2.409710|2.805182|19.394136|2.804300|3.242358|0.059654|2.405260|2.113891|2.136705|2.452371|2.925395|2.882355|4.452733|0.091204|0.095815|0.095554|0.096078|0.090622|0.113200|0.224053|0.500000| |4.885303|12.632672|6.815351|4.642788|4.001621|4.300688|5.874450|8.879948|17.611878|12.561540|6.002970|9.274622|4.316768|0.112012|3.987515|3.389951|0.102262|2.979509|4.646861|0.100235|2.908549|2.456212|2.156489|1.891446|1.729118|1.753564|1.958058|2.204408|2.589432|19.264437|2.905569|3.385166|0.061567|2.575099|2.272184|2.338400|2.752315|3.322318|3.157624|4.757931|0.111789|0.129565|0.126059|0.109127|0.091054|0.099474|0.151636|0.302338|0.500000| |5.484147|14.508613|6.525317|4.540959|3.738374|3.782754|4.737919|6.828631|9.074107|26.018841|9.455200|10.817287|7.483710|0.209453|6.300681|4.447246|0.122982|3.905628|6.514403|0.129498|3.979517|3.067620|2.692588|2.271076|2.074042|2.153864|2.501734|2.874107|3.623821|23.584223|3.316660|3.714843|0.067925|2.683252|2.299593|2.268490|2.566037|3.115381|3.218206|5.229474|0.135651|0.150816|0.122584|0.111805|0.086853|0.088187|0.119083|0.180232|0.219589|0.500000| |3.416398|7.152329|3.453093|2.797963|2.472910|2.533048|2.994594|3.639382|4.678595|9.165301|7.063508|9.378851|8.682567|0.189990|17.662258|8.767221|0.218830|5.695244|7.793274|0.143151|4.150481|3.261048|2.785851|2.320140|2.098451|2.172157|2.538157|2.965101|3.857126|41.994642|5.945030|5.812487|0.101570|3.953497|3.114666|2.912530|3.238188|4.174509|4.913717|9.659760|0.087995|0.102401|0.081991|0.072708|0.060773|0.062895|0.081346|0.118500|0.128841|0.201815|0.500000| |3.012447|6.016588|2.980902|2.530109|2.263284|2.288912|2.611090|3.049056|3.574882|6.648164|5.500466|7.775580|8.811802|0.223939|17.581431|8.827252|0.174212|6.897138|8.851420|0.142280|4.964410|3.744812|3.280668|2.655690|2.416759|2.562436|3.105811|3.674723|5.139314|46.388672|5.153157|5.317405|0.098778|3.390730|2.743582|2.499780|2.645108|3.192622|3.789239|6.881098|0.081607|0.089249|0.072202|0.067005|0.056646|0.057599|0.070691|0.092155|0.094966|0.148524|0.301078|0.500000| |2.092624|4.237144|2.316554|2.037738|1.951431|2.082667|2.385398|2.553631|2.976618|4.907382|4.700657|8.833437|5.766172|0.129252|5.691130|8.679235|0.217396|17.668605|12.236958|0.236130|6.330190|6.275014|4.413331|3.523763|2.903472|2.799258|3.183675|4.071854|4.908597|43.127496|4.278437|4.659948|0.090982|2.917020|2.421536|2.192407|2.270076|2.653099|3.113732|5.384550|0.056675|0.058902|0.052940|0.052689|0.049382|0.054581|0.069033|0.086112|0.076269|0.093146|0.125947|0.138849|0.500000| |2.215008|4.410499|2.355053|2.080046|1.956382|2.036700|2.295277|2.505427|2.853949|4.865181|4.468987|7.515750|6.420504|0.155117|6.841852|8.769008|0.173608|17.654287|12.269473|0.182465|7.126391|6.048088|4.807951|3.670332|3.137199|3.189048|3.845393|5.000335|6.790010|47.775783|4.291828|4.680415|0.092524|2.874749|2.385723|2.143261|2.201049|2.558936|3.025210|5.241546|0.060876|0.063024|0.055187|0.054574|0.049714|0.052876|0.064540|0.078991|0.073635|0.097543|0.138469|0.193808|0.300612|0.500000| |2.620870|5.470528|3.159060|2.822579|2.740084|2.937352|3.325869|3.480678|3.676644|6.242209|6.027621|10.588028|7.143377|0.213975|4.694538|4.326369|0.111446|5.555935|12.597464|0.234570|17.604011|8.896048|6.812353|4.761270|3.877594|3.875164|4.753129|6.800666|8.869783|22.605265|2.685237|3.081631|0.059623|2.082258|1.809448|1.717851|1.825771|2.100964|2.285418|3.713662|0.073848|0.070195|0.064900|0.071554|0.068522|0.076052|0.093501|0.102192|0.086614|0.118803|0.108950|0.121648|0.137511|0.143930|0.500000| |2.009605|4.079564|2.368354|2.168922|2.168912|2.364665|2.631123|2.635687|2.817179|4.395819|4.078810|8.167985|4.420965|0.116650|3.523921|3.765755|0.101123|5.136437|8.688148|0.191139|8.705162|17.575217|8.705975|6.549662|4.499678|3.911466|4.245417|5.860890|5.629511|21.097092|2.476028|2.909186|0.057331|1.949433|1.711359|1.613590|1.688648|1.911550|2.088295|3.332000|0.055929|0.054386|0.051282|0.055494|0.055467|0.063649|0.077191|0.082401|0.068883|0.082500|0.084105|0.091296|0.153368|0.132743|0.224058|0.500000| |1.934891|3.869900|2.175450|1.976790|1.932990|2.061423|2.291201|2.368545|2.590431|4.143962|3.823178|7.234319|4.561724|0.117506|3.942033|4.517680|0.114734|7.048886|9.621263|0.183248|8.696055|17.532380|8.871825|6.222601|4.447875|4.008289|4.499771|6.406485|6.442127|25.996360|2.843119|3.318011|0.066248|2.155600|1.870007|1.728590|1.783424|2.021260|2.268052|3.677479|0.053719|0.053398|0.049135|0.051317|0.049584|0.054898|0.066102|0.074409|0.065051|0.079762|0.090685|0.104873|0.223237|0.198026|0.174708|0.302177|0.500000| |1.626841|3.175308|1.832945|1.741819|1.754096|1.860355|1.972908|1.957096|2.014890|3.038922|2.586458|4.858918|2.826377|0.078891|2.469518|2.589540|0.068388|3.256240|4.773195|0.096086|4.501622|6.591172|8.878446|17.713399|8.899136|5.626813|4.915750|5.626960|4.200788|16.191443|1.924884|2.355945|0.047529|1.581748|1.422166|1.339721|1.377063|1.518182|1.645911|2.538673|0.046021|0.044170|0.042014|0.045710|0.046200|0.050967|0.056671|0.057586|0.050857|0.059413|0.060732|0.067749|0.095138|0.093409|0.117818|0.185204|0.164919|0.500000| |1.511019|2.880501|1.651649|1.601126|1.606072|1.661928|1.718938|1.713207|1.726528|2.586135|2.117554|3.832329|2.330596|0.067321|2.092644|2.120624|0.055354|2.536489|3.664381|0.071608|3.355841|4.027900|5.671908|8.928271|17.728408|8.918016|5.637136|4.972520|3.573348|13.747698|1.658998|2.064344|0.041926|1.393620|1.267795|1.197422|1.223830|1.334347|1.437134|2.183766|0.043376|0.041067|0.039114|0.042783|0.042986|0.045553|0.048353|0.048343|0.044138|0.051826|0.052240|0.059155|0.071029|0.075015|0.089932|0.105902|0.103322|0.214940|0.500000| |1.636637|3.072880|1.735689|1.690310|1.665348|1.682813|1.728281|1.755629|1.754515|2.666930|2.143890|3.739240|2.427757|0.072730|2.202350|2.151454|0.054995|2.521109|3.657904|0.068982|3.355725|3.574465|4.971674|5.636555|8.917503|17.728268|8.927773|5.671770|4.028317|14.068133|1.694810|2.107866|0.042787|1.421139|1.291516|1.218530|1.244930|1.358222|1.464958|2.228401|0.047712|0.044663|0.041976|0.045826|0.044701|0.045488|0.047602|0.048061|0.045078|0.054749|0.054902|0.064218|0.067606|0.076650|0.089862|0.089190|0.091124|0.124013|0.215707|0.500000| |2.010850|3.788742|2.095733|2.005409|1.923719|1.921527|2.002071|2.093361|2.108878|3.328497|2.687315|4.504832|3.227009|0.101600|2.896303|2.707921|0.067046|3.191701|4.744567|0.084867|4.501429|4.204201|5.625717|4.915543|5.627404|8.900387|17.710679|8.875918|6.596881|17.318196|2.044366|2.493492|0.050191|1.666942|1.492743|1.401859|1.440255|1.592355|1.734479|2.688098|0.059131|0.055252|0.050462|0.054480|0.050888|0.050793|0.054331|0.056644|0.053930|0.069814|0.070508|0.087527|0.081100|0.100256|0.117525|0.098584|0.104958|0.106883|0.124026|0.214969|0.500000| |2.323353|4.553418|2.446095|2.209949|2.073048|2.116306|2.323523|2.521957|2.719104|4.619039|4.035243|6.541013|5.783956|0.175084|5.228845|4.921697|0.110713|6.625121|9.455540|0.143077|8.668460|6.411888|6.365762|4.478965|3.996806|4.442648|6.226177|8.846582|17.534529|29.002950|3.086190|3.556836|0.070687|2.289373|1.968899|1.811024|1.868699|2.130625|2.413027|3.964866|0.065959|0.065247|0.057252|0.058673|0.053130|0.054852|0.063868|0.073242|0.069152|0.096138|0.113172|0.164998|0.146893|0.246071|0.174264|0.132443|0.171487|0.104485|0.090894|0.103290|0.165533|0.500000| |2.693756|5.324875|2.895459|2.634506|2.455030|2.476059|2.692374|2.933324|3.040776|5.217639|4.422288|6.917280|6.089258|0.223374|4.796099|4.063586|0.097067|4.895502|8.491612|0.136768|8.680263|5.632419|5.875930|4.257815|3.925860|4.520079|6.589083|8.748492|17.578221|23.162389|2.685858|3.120065|0.061095|2.079352|1.810923|1.701624|1.783675|2.033149|2.237054|3.612939|0.078356|0.073981|0.065374|0.069854|0.062649|0.063469|0.072428|0.080039|0.075551|0.110746|0.109504|0.145449|0.113016|0.149466|0.222987|0.126983|0.132802|0.098804|0.089474|0.106333|0.186266|0.302658|0.500000| |1.697184|3.154670|1.629720|1.460952|1.361439|1.387658|1.531259|1.679048|1.918630|2.797173|2.082708|3.561840|2.160184|0.055288|2.574649|2.780722|0.079334|2.331433|2.813405|0.056284|1.797991|1.690749|1.541272|1.404949|1.314866|1.330454|1.444177|1.566441|1.750529|24.184478|4.604056|8.950728|0.180772|8.821787|17.727745|8.881024|5.592789|4.867438|5.577864|5.847236|0.044383|0.050762|0.044854|0.039388|0.035215|0.036293|0.042789|0.052886|0.056197|0.057509|0.076456|0.069963|0.063238|0.062737|0.047160|0.045136|0.049634|0.038191|0.034276|0.034915|0.040050|0.052135|0.047608|0.500000| |1.742772|3.217889|1.662793|1.491744|1.388886|1.413403|1.557766|1.709285|1.948351|2.744109|1.982833|3.397738|1.978785|0.051002|2.285867|2.372383|0.069272|2.008956|2.526716|0.051343|1.625214|1.520033|1.387941|1.271275|1.192478|1.205245|1.303116|1.408109|1.567777|18.780313|3.465449|5.601867|0.104793|5.712815|8.975235|17.728832|8.893390|5.629102|4.975850|4.986159|0.044933|0.052208|0.046852|0.040247|0.035930|0.036939|0.043443|0.053634|0.058461|0.056302|0.069665|0.061089|0.054416|0.053291|0.043505|0.041140|0.043862|0.034662|0.031203|0.031731|0.036181|0.045758|0.043192|0.214689|0.500000| |2.090106|3.905024|2.002708|1.765976|1.631090|1.665400|1.861459|2.073117|2.413634|3.307994|2.317456|3.947096|2.224429|0.056975|2.539797|2.554755|0.076571|2.129716|2.760327|0.056824|1.753265|1.613505|1.458840|1.326825|1.237919|1.250754|1.359362|1.479904|1.665182|18.823042|3.491933|5.026319|0.089184|5.004128|5.625777|8.899332|17.728801|8.962160|5.685501|5.607558|0.052611|0.062843|0.056635|0.047267|0.041760|0.043132|0.051817|0.066182|0.075052|0.067502|0.080285|0.066034|0.057156|0.055329|0.047648|0.044048|0.045931|0.036155|0.032277|0.032803|0.037703|0.047904|0.046329|0.123713|0.216236|0.500000| 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