Version2.1 2021-01-07T23:31:52Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 08-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C=CC[NH+](C[C@H](COCC=C)O)CC(=O)N1CCc2c(ccs2)[C@@H]1COc3ccc(cc3)Cl C36309290 RHF 6-31G(d) (6D,7F) C=CC[NH+](C[C@H](COCC=C)O)CC(=O)N1CCc2c(ccs2)[C@@H]1COc3ccc(cc3)Cl C01[X(C25H32Cl1N2O4S1)] 189 C1 567 C=CC[NH+](CC(=O)N1CCc2c([C@@H]1COc1ccc(cc1)Cl)ccs2)C[C@H](COCC=C)O C=CC[NH+](CC(=O)N1CCc2c([C@@H]1COc1ccc(cc1)Cl)ccs2)C[C@H](COCC=C)O O[C@@H](COCC=C)C[NH+](CC=C)CC(=O)N1CCc2sccc2[C@@H]1COc3ccc(Cl)cc3 InChIKey=OBAOACMVZYTKHV-OFNKIYASSA-O InChI=1S/C25H31ClN2O4S/c1-3-11-27(15-20(29)17-31-13-4-2)16-25(30)28-12-9-24-22(10-14-33-24)23(28)18-32-21-7-5-19(26)6-8-21/h3-8,10,14,20,23,29H,1-2,9,11-13,15-18H2/p+1/t20-,23+/m1/s1 InChI=1/C25H31ClN2O4S/c1-3-11-27(15-20(29)17-31-13-4-2)16-25(30)28-12-9-24-22(10-14-33-24)23(28)18-32-21-7-5-19(26)6-8-21/h3-8,10,14,20,23,29H,1-2,9,11-13,15-18H2/p+1/t20-,23+/m1/s1/fC25H32ClN2O4S/h27H/q+1 C=CC[NH+](C[C@H](COCC=C)O)CC(=O)N1CCc2c(ccs2)[C@@H]1COc3ccc(cc3)Cl C01[X(C25H32Cl1N2O4S1)] 189 C01 567 C=CC[NH+](CC(=O)N1CCc2c([C@@H]1COc1ccc(cc1)Cl)ccs2)C[C@H](COCC=C)O C=CC[NH](C[C]([N]1CCC2=[C]([CH]=[CH]S2)[C@@H]1CO[C]1[CH][CH][C]([CH][CH]1)Cl)=O)C[C@H](COCC=C)O O[C@@H](COCC=C)C[NH](CC=C)CC(=O)N1CCc2sccc2[C@@H]1CO[C]3[CH][CH][C](Cl)[CH][CH]3 InChIKey=QHIFOFAEBTVISA-OFNKIYASSA-N InChI=1S/C25H32ClN2O4S/c1-3-11-27(15-20(29)17-31-13-4-2)16-25(30)28-12-9-24-22(10-14-33-24)23(28)18-32-21-7-5-19(26)6-8-21/h3-8,10,14,20,23,27,29H,1-2,9,11-13,15-18H2/t20-,23+/m1/s1 InChI=1/C25H32ClN2O4S/c1-3-11-27(15-20(29)17-31-13-4-2)16-25(30)28-12-9-24-22(10-14-33-24)23(28)18-32-21-7-5-19(26)6-8-21/h3-8,10,14,20,23,27,29H,1-2,9,11-13,15-18H2/t20-,23+/m1/s1 3682.6113865548 -2230.4116407 1-A 24160.7796 130 437 567 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969.2002 975.9789 1006.5157 1013.0629 1020.1101 1035.8879 1036.2903 1051.5457 1061.1971 1071.1403 1078.1988 1088.3042 1094.3737 1107.2103 1109.0442 1123.2076 1127.1298 1132.4011 1135.8378 1145.4884 1154.6821 1165.6647 1168.7837 1171.7578 1192.3461 1196.3036 1209.4494 1210.3293 1227.8523 1247.2442 1255.5949 1264.3951 1277.2664 1281.0013 1296.8548 1301.7902 1302.5499 1318.2480 1334.9986 1341.9256 1347.8012 1376.9492 1389.6787 1399.1501 1403.4854 1407.7954 1413.1829 1419.5893 1435.5762 1446.5245 1449.2164 1459.4991 1472.4082 1476.1748 1490.1265 1508.9878 1522.8886 1529.0842 1534.5425 1540.4076 1543.5645 1564.4770 1568.1009 1570.1346 1575.8532 1580.0042 1593.6501 1607.0751 1619.3035 1626.6809 1629.7003 1632.2463 1639.2129 1645.4489 1653.7613 1659.6696 1661.3621 1664.5753 1669.5031 1675.5046 1683.4481 1779.6267 1797.8298 1809.4784 1865.8947 1885.4340 1889.3626 3178.9889 3192.7627 3204.8221 3210.3991 3227.4416 3229.4514 3237.8930 3255.7557 3273.5502 3276.1805 3278.7609 3286.0369 3288.2370 3296.3460 3335.7042 3339.8164 3344.0727 3346.4386 3356.4871 3357.5721 3362.5504 3372.7527 3388.2406 3395.3946 3395.9056 3407.1272 3411.9730 3421.3071 3437.0540 3448.3935 3622.7987 4058.0625 8.1480 5.5172 6.1395 4.4389 4.3459 3.9467 4.3941 5.1308 4.4363 3.8657 3.8416 5.3206 3.2500 4.5291 3.5962 4.3449 4.3679 4.1945 7.7592 6.1604 3.0374 4.2651 2.9457 3.4574 3.1318 3.9492 3.2240 6.0134 2.5847 4.4373 3.0289 3.1887 6.5182 2.5717 5.0933 5.4165 3.1555 2.2464 2.5696 2.6933 3.6498 1.1052 4.1746 3.2194 2.5757 4.3974 2.2928 2.6679 3.9699 4.7861 3.6789 2.5955 4.1526 3.8837 6.3445 3.4334 1.7364 5.7846 2.0976 3.8795 3.4941 1.6787 3.4369 3.5010 4.2043 1.2773 2.4671 1.6472 4.5010 1.9520 2.1652 4.0921 1.7340 2.5571 1.4356 1.9735 1.3494 2.5503 2.2290 1.3980 2.1235 2.0806 1.3422 3.2856 1.2797 1.5394 1.7107 1.3823 2.4109 2.0510 1.4010 2.6298 2.4651 2.0177 2.7282 2.1219 1.4767 2.3780 3.2162 2.2610 2.0250 2.1914 2.8692 2.6302 3.1374 1.2015 2.8025 2.4369 1.2719 1.3825 1.7363 1.1859 1.0949 1.1900 1.1287 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8.6002 0.7078 4.8072 11.0460 1.2879 0.5188 6.4628 8.9662 1.8443 0.4928 1.3366 3.1874 1.0243 4.2318 8.5159 3.6754 0.7429 0.6564 2.0815 150.5617 1.4543 46.3676 1.2384 2.9710 21.6051 7.2205 13.0567 5.2597 13.4785 7.4157 1.8987 6.0006 0.9132 15.8392 7.1966 39.1984 2.5441 3.0712 0.6081 76.3197 1.9899 5.9540 24.1449 7.8747 11.3234 55.2066 22.4679 23.5756 12.2437 30.8403 27.2183 64.5190 2.0296 16.8541 1.3336 4.3892 23.5995 0.0896 4.3299 10.4819 0.0124 19.2257 61.4700 46.0449 48.2724 13.5305 34.7310 71.2920 44.6442 96.2897 3.0501 1.1293 20.9131 9.7820 2.4099 41.6576 13.3532 8.5391 13.6979 4.8972 12.3371 123.9301 157.5237 28.0708 29.4643 38.5656 16.6851 17.3401 114.9818 2.9065 3.9620 73.8929 4.4727 252.3148 200.2322 63.6151 2.2866 24.0709 2.4223 3.2207 65.2008 49.5179 18.5292 6.9818 51.4107 43.0564 8.7541 4.3220 35.0596 37.1032 74.0324 25.4886 74.6469 31.5232 7.9092 82.1179 258.2578 4.5100 14.9069 20.5516 29.2902 15.9573 17.4951 6.4592 41.7636 65.8980 193.0669 0.6867 78.6096 14.8736 2.9656 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 19306.7255 27308.1371 42238.6226 0.99977 0.02140 -0.00259 -0.02141 0.99976 -0.00547 0.00247 0.00552 0.99998 1 0.00449 0.00317 0.00205 0.09348 0.06609 0.04273 9.05 17.49 25.00 38.03 45.64 48.88 61.14 65.73 75.07 83.09 92.01 105.63 119.12 125.92 153.74 172.23 184.25 201.24 228.94 240.59 261.52 280.97 301.73 312.24 363.13 374.41 398.44 436.53 449.96 458.13 473.68 506.00 533.40 560.10 572.91 589.00 630.11 650.11 668.43 669.13 688.30 722.94 734.86 743.95 745.59 766.34 788.61 825.17 837.72 867.37 888.78 907.24 956.58 987.10 999.77 1013.03 1037.64 1045.77 1077.26 1117.53 1124.94 1174.87 1217.75 1235.73 1299.98 1326.66 1350.27 1355.60 1374.79 1381.20 1394.46 1404.22 1448.15 1457.57 1467.71 1490.41 1490.99 1512.94 1526.83 1541.13 1551.29 1565.83 1574.56 1593.03 1595.67 1616.05 1621.69 1629.27 1634.22 1648.10 1661.33 1677.13 1681.62 1685.90 1715.52 1721.21 1740.13 1741.39 1766.61 1794.51 1806.52 1819.18 1837.70 1843.08 1865.88 1872.99 1874.08 1896.66 1920.77 1930.73 1939.19 1981.12 1999.44 2013.06 2019.30 2025.50 2033.26 2042.47 2065.47 2081.23 2085.10 2099.89 2118.47 2123.89 2143.96 2171.10 2191.10 2200.01 2207.86 2216.30 2220.85 2250.93 2256.15 2259.07 2267.30 2273.27 2292.91 2312.22 2329.82 2340.43 2344.78 2348.44 2358.46 2367.43 2379.39 2387.89 2390.33 2394.95 2402.04 2410.68 2422.11 2560.49 2586.68 2603.44 2684.61 2712.72 2718.37 4573.86 4593.67 4611.02 4619.05 4643.57 4646.46 4658.61 4684.31 4709.91 4713.69 4717.41 4727.87 4731.04 4742.71 4799.33 4805.25 4811.37 4814.78 4829.24 4830.80 4837.96 4852.64 4874.92 4885.22 4885.95 4902.10 4909.07 4922.50 4945.15 4961.47 5212.40 5838.65 0.585414 0.616783 0.617727 0.514966 -2229.826226 -2229.794858 -2229.793913 -2229.896675 3.446654D-04 MUNgauss RevisionA2.0 retrievium 07-Jan-2021 DUDE C=CC[NH+](C[C@H](COCC=C)O)CC(=O)N1CCc2c(ccs2)[C@@H]1COc3ccc(cc3)Cl C36309290 RHF 6-31G(d) (6D,10F) C1 491.177132 |X|Y|Z| 95.438052 116.805826 37.531656 74.793054 17 6 7 8 16 14 1 1 1 |36.858105| |14.434505|36.858105| |7.704715|12.672713|36.858105| |5.700009|7.600524|12.572684|53.358707| |6.220662|7.350136|9.300771|25.562405|0.500000| |4.624228|6.194654|7.624646|17.337413|0.259269|36.858105| |3.704657|4.409927|4.966088|10.395137|0.205210|12.476332|36.858105| |3.204746|3.740383|4.393456|8.916002|0.169501|8.795139|17.538252|0.500000| |3.178451|3.701885|3.844039|6.782403|0.135731|7.540006|12.518208|0.249927|36.858105| |2.732281|3.036894|3.142406|5.428733|0.113353|5.163517|8.239468|0.208186|13.725168|73.516695| |2.380785|2.603473|2.622414|4.269026|0.088716|3.904187|5.231663|0.135838|8.041530|23.947848|36.858105| |2.095939|2.239078|2.269137|3.655613|0.076942|3.147770|4.095627|0.112395|5.218961|14.326990|12.724978|36.858105| |1.963828|2.059194|2.050610|3.228911|0.068749|2.701099|3.354131|0.090433|4.069792|9.830738|7.665192|14.461761|36.858105| |4.018686|4.472315|4.797557|9.880307|0.245921|8.169435|13.643798|0.258959|7.927474|12.526970|4.751103|3.994306|3.417038|73.516695| |4.215227|5.015010|7.687224|17.436619|0.263047|7.631965|6.208636|0.179988|4.193271|6.406550|2.856776|2.535545|2.231240|10.418543|36.858105| |4.174641|4.469203|6.119141|10.594674|0.220431|5.066421|4.596535|0.130517|3.364668|5.447926|2.499542|2.294648|2.068642|8.847185|12.404519|36.858105| |5.028132|5.002812|6.285085|10.088437|0.250734|4.807316|4.371540|0.116820|3.280303|5.333153|2.470573|2.269473|2.077216|9.096001|8.119414|15.750094|73.516695| |3.294314|3.453894|4.446198|7.031748|0.142451|3.887538|3.690887|0.109246|2.852803|4.762388|2.234639|2.098759|1.902810|6.914006|7.724820|14.309453|15.052474|53.358707| |2.754044|2.959010|3.771738|5.928824|0.113980|3.579382|3.456651|0.107168|2.737669|4.603103|2.178100|2.057396|1.849167|6.104165|6.537563|7.665534|9.389629|17.666633|36.858105| |2.492848|2.649370|3.301486|4.775878|0.091356|2.952119|2.779909|0.083869|2.297521|3.853529|1.872856|1.774444|1.614170|4.869239|4.726658|5.354092|7.399018|10.534161|12.490527|36.858105| |2.386896|2.452603|2.943075|4.168625|0.082809|2.568793|2.448110|0.072281|2.054229|3.490704|1.715322|1.643299|1.515562|4.430346|3.870049|4.753947|7.121565|9.365213|7.769409|12.704686|36.858105| |2.551165|2.557780|3.020833|4.312291|0.088621|2.605977|2.509114|0.073067|2.091896|3.578783|1.752606|1.685845|1.564569|4.691768|3.920364|5.268910|8.292899|10.604153|6.821023|7.575049|14.165017|36.858105| |2.277723|2.238352|2.545809|3.556660|0.073903|2.205238|2.137291|0.061512|1.827186|3.153468|1.569621|1.523064|1.430450|4.019000|3.058546|3.892810|6.583722|6.786929|4.522392|5.068787|8.216886|13.215424|36.858105| |2.030791|2.015060|2.282124|3.149349|0.064376|1.994010|1.925565|0.055625|1.670038|2.880105|1.447313|1.405893|1.321482|3.554223|2.688155|3.235272|5.398393|5.477281|3.969535|4.823322|7.714908|8.233235|14.194596|36.858105| |2.018935|2.054096|2.380782|3.289510|0.065540|2.096740|2.006361|0.058731|1.735089|2.968562|1.487438|1.435748|1.336907|3.612932|2.884607|3.339225|5.311091|5.775000|4.658596|6.674619|11.011278|7.457157|7.458274|11.034573|388.023441| |3.015330|3.006530|3.600879|5.360244|0.113968|3.101103|3.006413|0.086933|2.428412|4.144800|1.990550|1.903625|1.758627|5.815367|4.985888|7.940113|12.480993|17.562585|7.574662|6.306010|7.573512|12.619147|7.313671|5.086243|33.703643|36.858105| |3.387871|3.272961|3.852682|5.488904|0.119326|3.103549|2.940943|0.082603|2.388983|4.037180|1.948798|1.851093|1.722606|5.775746|4.782211|7.702925|14.459839|12.581169|5.690983|5.079788|5.973717|8.995890|6.637379|4.678062|29.783261|17.624584|0.500000| |2.733812|2.692797|3.088059|4.763307|0.104996|2.885884|2.951325|0.085721|2.416039|4.256173|2.047769|1.999821|1.860399|5.911394|4.208494|6.016913|10.364542|10.447992|5.695115|4.594577|5.255322|7.479248|5.925362|4.290858|27.255508|12.472112|0.251628|36.858105| |2.383871|2.404306|2.767646|4.343855|0.093061|2.745927|2.884533|0.086648|2.387843|4.280109|2.063939|2.043492|1.887577|5.612234|3.924607|5.039324|8.039493|8.984454|6.078755|4.764088|5.207162|6.457942|5.166835|4.085644|27.490588|7.995105|0.161141|13.626861|73.516695| |2.134985|2.141742|2.398077|3.757814|0.081138|2.466460|2.663806|0.079895|2.268465|4.176667|2.041869|2.069676|1.930452|5.220870|3.239379|3.881301|6.479043|6.221519|4.383866|3.627753|3.880413|4.530570|4.052222|3.386432|22.541652|5.188595|0.118535|7.985691|24.956591|36.858105| |1.896604|1.926073|2.154614|3.357826|0.070948|2.267757|2.463660|0.075099|2.141925|3.979457|1.970212|2.019996|1.878940|4.677191|2.891131|3.269592|5.348020|5.199799|3.996902|3.416107|3.544746|3.838404|3.487300|3.099477|21.492096|4.061647|0.094360|5.256777|14.547946|13.696597|36.858105| |1.714856|1.734218|1.903812|2.942286|0.062350|2.030530|2.227432|0.067294|1.988578|3.756216|1.895149|1.982129|1.867247|4.228824|2.453874|2.701236|4.528580|4.113125|3.119437|2.745762|2.832880|3.032261|2.861269|2.604251|17.927624|3.184183|0.077342|3.983074|9.400493|7.932763|13.827276|36.858105| |1.705280|1.704188|1.840173|2.832416|0.060925|1.957711|2.157735|0.064016|1.944753|3.705424|1.884426|1.990525|1.905500|4.182630|2.303220|2.550879|4.406503|3.773377|2.745396|2.423544|2.525495|2.765508|2.663408|2.396043|16.078799|2.969666|0.074286|3.793663|8.215673|6.882388|7.965184|13.728118|36.858105| |1.869388|1.845438|1.982039|3.055401|0.066897|2.078359|2.285082|0.066819|2.035497|3.858545|1.944949|2.036323|1.957774|4.549801|2.464092|2.805957|4.967036|4.106609|2.857916|2.493235|2.636080|2.989308|2.887752|2.519532|16.493733|3.328138|0.084320|4.505981|9.225833|7.941936|6.891213|7.947425|13.836668|36.858105| |2.115233|2.084704|2.273186|3.534129|0.078001|2.337678|2.545012|0.074513|2.202607|4.104242|2.027220|2.077921|1.971555|5.129480|2.912488|3.467810|6.129531|5.198063|3.492153|2.966739|3.184730|3.759692|3.541429|2.962956|19.161019|4.385646|0.108242|6.708320|13.971288|13.767514|7.935026|6.866107|7.942845|13.703413|36.858105| |1.501110|1.498479|1.594646|2.424330|0.051898|1.707059|1.880566|0.055313|1.740822|3.344707|1.742498|1.870623|1.821653|3.607084|1.929168|2.084316|3.633431|3.017629|2.208765|1.995479|2.061757|2.214101|2.166761|1.997742|13.495080|2.337743|0.059925|2.828855|5.776858|4.225205|4.771004|7.025665|10.943714|7.039364|4.759516|448.794386| |17.733335|9.119116|5.507390|6.064209|0.134485|3.929907|3.290071|0.079145|2.955936|4.577228|2.296046|2.027536|1.925107|6.345144|3.442318|3.409634|7.138296|3.805953|2.389414|2.187112|2.113592|2.254660|2.052420|1.845856|12.968187|2.616442|0.080918|2.427463|3.802503|1.948772|1.743159|1.595133|1.598135|1.749493|1.953047|11.424148|0.500000| |17.704241|9.074864|7.016802|7.467308|0.172848|4.189465|3.488302|0.086042|2.933298|4.600129|2.245614|2.013846|1.892294|6.916898|4.348804|4.681847|10.750141|4.997547|2.957818|2.679484|2.618126|2.862834|2.556045|2.241472|15.595521|3.449214|0.111758|3.084321|4.642220|2.309914|2.020600|1.812570|1.805766|2.000020|2.294293|12.640933|0.288989|0.500000| |9.158279|17.707701|8.590689|8.457986|0.161813|6.083738|4.325110|0.100640|3.859057|5.497032|2.698892|2.280236|2.096169|7.442479|4.287153|3.702635|7.079829|4.048078|2.641710|2.386152|2.196533|2.260488|1.998442|1.822963|13.300561|2.602035|0.077159|2.371458|3.844583|1.955066|1.782938|1.621637|1.594190|1.711354|1.906486|11.376147|0.218938|0.173471|0.500000| |5.757980|8.823997|17.604171|12.370591|0.181858|7.188870|4.615140|0.117126|3.715261|5.342868|2.542649|2.189590|1.968328|7.384303|6.834902|5.123941|8.673937|5.477309|3.643278|3.280734|2.850241|2.831272|2.394271|2.191609|16.633647|3.243129|0.093946|2.775891|4.544528|2.226921|2.039495|1.808421|1.733238|1.841498|2.089887|12.144262|0.126016|0.144333|0.214039|0.500000| |7.272422|8.937195|17.696422|12.419136|0.219540|5.624461|4.163323|0.106885|3.266231|4.953601|2.351177|2.083797|1.900824|7.480835|7.524483|7.156193|13.451331|7.000250|4.137015|3.689418|3.346395|3.481436|2.898786|2.566668|18.919977|4.194037|0.129256|3.424660|5.302746|2.529761|2.244448|1.962450|1.893236|2.052080|2.385103|13.061088|0.143802|0.216208|0.173439|0.300671|0.500000| |5.228456|7.353008|7.407030|12.508452|0.220741|17.657797|8.882094|0.174239|7.197675|8.651401|3.874010|3.070738|2.686992|12.494938|5.629596|4.240172|7.598701|4.529369|3.033432|2.588667|2.307435|2.357284|2.036224|1.848519|13.668786|2.771598|0.078653|2.598156|4.345568|2.224231|2.044440|1.854280|1.808689|1.926954|2.145459|12.816288|0.126271|0.123384|0.223950|0.191330|0.147458|0.500000| |3.972161|5.287829|6.778714|12.324591|0.181175|17.610285|8.738017|0.217205|6.479534|8.150539|3.617443|2.939443|2.512722|10.339024|7.069885|4.574748|7.363719|5.034638|3.586796|3.018084|2.562635|2.532423|2.140106|1.964408|14.980870|2.925565|0.080250|2.680448|4.621296|2.330331|2.181811|1.953400|1.861572|1.948856|2.177762|13.096229|0.095314|0.100812|0.149528|0.209262|0.143475|0.300723|0.500000| |3.432205|3.984889|3.877601|6.475623|0.132988|6.948918|8.851309|0.174838|17.500807|16.546301|7.222092|4.748082|3.950699|12.635434|3.800755|3.145078|5.632498|3.604709|2.494699|2.131804|1.933394|1.982428|1.749816|1.599133|11.712887|2.296943|0.063849|2.277973|3.933466|2.103627|1.971006|1.839112|1.817494|1.917506|2.070098|13.153037|0.090587|0.085760|0.119357|0.102822|0.090461|0.218988|0.160483|0.500000| |2.901117|3.423522|3.615071|6.101859|0.116225|6.773761|8.804864|0.216211|17.495785|16.483088|7.085005|4.731808|3.695577|10.128828|3.916930|3.093072|5.246785|3.647752|2.643461|2.252967|1.991502|1.995797|1.745309|1.612944|12.060181|2.272539|0.061761|2.231429|3.963277|2.112839|2.025167|1.882710|1.822992|1.884148|2.028369|13.184234|0.075139|0.074227|0.101008|0.101439|0.085401|0.177857|0.187911|0.299583|0.500000| |2.466664|2.674794|2.611941|4.156192|0.087380|3.772116|4.781981|0.117924|7.196409|16.482647|17.539878|8.897445|7.263217|8.067156|2.705695|2.395142|4.288839|2.892182|2.042294|1.773269|1.638293|1.682655|1.516869|1.397581|10.148716|1.911659|0.052609|1.959790|3.460473|1.920575|1.836431|1.767821|1.772857|1.846332|1.925831|13.210963|0.067129|0.063911|0.078053|0.069888|0.064778|0.108925|0.095552|0.216072|0.171739|0.500000| |2.245824|2.485539|2.525077|4.042919|0.081826|3.745381|4.766665|0.127797|7.292104|16.577574|17.509901|8.910708|6.013938|7.251836|2.734714|2.359826|4.092080|2.897949|2.109251|1.832136|1.664959|1.682093|1.506565|1.400346|10.325694|1.887025|0.051169|1.917722|3.456450|1.913354|1.865859|1.792875|1.764845|1.803342|1.878415|13.150588|0.060119|0.058615|0.072376|0.069452|0.062726|0.102949|0.100641|0.178396|0.214491|0.300639|0.500000| |1.998038|2.139130|2.211177|3.585638|0.074822|3.048847|3.978025|0.115102|4.780308|12.701439|8.700166|17.685924|9.149281|6.793992|2.560494|2.318068|4.013312|2.927515|2.141395|1.838423|1.694562|1.729744|1.558066|1.441473|10.520420|1.944558|0.051935|2.053447|3.795933|2.178950|2.158279|2.127736|2.117358|2.135342|2.166496|15.980587|0.053224|0.053817|0.059962|0.059581|0.056865|0.080515|0.080346|0.115482|0.124390|0.171986|0.206236|0.500000| |2.008130|2.092623|2.044930|3.175935|0.067958|2.655617|3.219548|0.084390|3.940260|8.958537|6.943647|9.083082|17.695864|5.896897|2.154949|2.004404|3.621100|2.491407|1.762007|1.548222|1.460106|1.511615|1.387618|1.281497|9.184318|1.699590|0.046676|1.787620|3.183483|1.819646|1.755583|1.737999|1.781243|1.846723|1.868268|13.668433|0.055311|0.053366|0.059639|0.054362|0.052484|0.075066|0.068156|0.111868|0.098708|0.217905|0.153041|0.173362|0.500000| |1.799891|1.871923|1.873973|2.928374|0.062350|2.396797|2.922185|0.080330|3.385054|7.836476|5.493474|9.112527|17.727034|5.340128|2.058065|1.935699|3.449286|2.456609|1.762609|1.546517|1.461071|1.509297|1.388681|1.286041|9.223979|1.685328|0.045694|1.798400|3.269326|1.905427|1.871188|1.886345|1.938281|1.975172|1.957793|15.121484|0.049016|0.048607|0.052558|0.050014|0.048786|0.065717|0.062428|0.090583|0.086824|0.143195|0.129831|0.218148|0.289385|0.500000| |3.437668|3.705705|3.871327|7.265719|0.172802|6.011151|9.880019|0.222876|7.721433|15.022703|5.478201|4.741526|4.011003|35.568309|4.685139|4.191055|7.643781|4.712235|3.123902|2.518542|2.318193|2.458818|2.136320|1.896579|13.628200|3.005250|0.082170|3.158622|5.439373|2.938793|2.656644|2.445366|2.447066|2.657566|2.938557|17.085999|0.087433|0.093154|0.098327|0.095712|0.096956|0.151487|0.130942|0.189476|0.151930|0.142603|0.123658|0.124787|0.106543|0.096887|0.500000| |3.561367|4.145671|5.628266|12.341910|0.212211|7.458190|7.301699|0.245988|4.693881|7.335402|3.170447|2.824450|2.435660|11.560726|17.670751|8.845121|11.246865|9.254566|6.517863|4.484771|3.640815|3.654368|2.881753|2.553278|19.558580|4.564715|0.116489|4.137998|7.277845|3.450383|3.135999|2.657235|2.467975|2.608640|3.061379|16.519370|0.083879|0.100582|0.103377|0.146347|0.147730|0.147536|0.195588|0.112009|0.121548|0.081226|0.084174|0.080591|0.064329|0.062345|0.147442|0.500000| |3.887732|4.711669|7.427309|12.375259|0.184006|6.513018|5.071325|0.148925|3.722010|5.661055|2.602043|2.311434|2.041554|8.073492|17.633267|8.684080|10.908220|9.310820|6.619635|5.192619|4.011596|3.847097|3.004247|2.710042|21.411334|4.542613|0.120698|3.704271|6.267050|2.919924|2.671856|2.278231|2.118211|2.232521|2.602582|14.398892|0.089147|0.109914|0.114730|0.213943|0.206256|0.140101|0.193495|0.094514|0.101080|0.068566|0.070707|0.065050|0.054861|0.052535|0.105345|0.301471|0.500000| |2.481110|2.631330|3.225528|5.142212|0.101867|3.243044|3.288245|0.103626|2.649997|4.583450|2.177596|2.095451|1.885135|5.888978|5.282119|6.089536|8.146634|12.496270|17.649547|8.862484|6.869219|6.361738|4.442263|3.903689|31.698215|6.917301|0.140867|6.134744|13.750487|5.411858|5.067622|3.745568|3.177225|3.253103|4.017177|19.977763|0.060764|0.073704|0.066113|0.086143|0.095948|0.077031|0.089414|0.066617|0.070813|0.056279|0.058356|0.061288|0.049488|0.050331|0.086033|0.158350|0.141153|0.500000| |2.821103|3.130028|4.099930|6.668770|0.121919|4.122302|3.930473|0.125719|3.058068|5.048280|2.360042|2.196579|1.946802|6.602241|7.906904|7.313753|8.882447|12.357280|17.649399|8.859046|5.615598|4.968321|3.618861|3.277804|27.340603|5.561728|0.128140|4.535093|8.552447|3.766517|3.539912|2.862616|2.537652|2.614173|3.103635|16.732548|0.067791|0.082191|0.078532|0.113331|0.120175|0.094046|0.118630|0.076100|0.083209|0.060952|0.064066|0.063676|0.051377|0.051164|0.092633|0.233313|0.240121|0.303377|0.500000| |2.213551|2.361390|2.883336|4.190752|0.080003|2.700146|2.585447|0.078962|2.180047|3.689435|1.809929|1.726297|1.568524|4.462029|4.017610|4.262554|6.099716|7.662954|8.905418|17.561508|8.877832|5.741815|4.317386|4.360296|45.077235|4.823055|0.110977|3.899492|7.594733|3.417360|3.381769|2.745664|2.380763|2.391349|2.779988|15.893897|0.054672|0.065122|0.060156|0.080954|0.086899|0.066022|0.077796|0.055887|0.060076|0.047341|0.049561|0.050055|0.041606|0.041930|0.064975|0.110676|0.122827|0.219500|0.209863|0.500000| |2.639814|2.840860|3.611453|4.998986|0.093259|3.059846|2.778301|0.082536|2.302341|3.792111|1.848493|1.730713|1.574623|4.795429|4.872560|5.254881|7.353208|9.196392|8.815714|17.522665|8.901747|6.132221|4.438716|4.303792|41.444777|5.403381|0.132112|3.930677|6.900841|3.070562|2.881802|2.388368|2.150187|2.223009|2.607469|14.483631|0.063888|0.078441|0.070919|0.102139|0.113857|0.074948|0.088280|0.059813|0.063190|0.048914|0.050499|0.049439|0.042199|0.041694|0.068112|0.122271|0.159641|0.173832|0.217700|0.302718|0.500000| |2.270376|2.191781|2.440230|3.406095|0.072038|2.119092|2.068863|0.058952|1.779689|3.089578|1.543969|1.504851|1.423662|3.952090|2.850018|3.636870|6.439800|6.004110|3.848255|4.046476|5.717864|8.540658|17.741748|8.944254|37.723228|6.541987|0.180133|6.001274|8.766141|4.049846|3.391025|2.842011|2.723275|3.027126|3.725969|17.818061|0.057286|0.071349|0.054314|0.063023|0.076854|0.054886|0.056498|0.047662|0.046901|0.041653|0.040943|0.042590|0.038485|0.038473|0.058721|0.074752|0.076363|0.106448|0.088223|0.097783|0.101247|0.500000| |1.859696|1.834585|2.043279|2.800384|0.057391|1.797321|1.740908|0.050054|1.529223|2.647050|1.342043|1.308757|1.237312|3.212722|2.339833|2.754310|4.682091|4.481249|3.249338|3.832150|5.421801|5.683816|8.785006|17.791418|55.343974|4.029395|0.106522|3.593770|6.130881|2.995832|2.787567|2.409772|2.243254|2.346246|2.693078|15.299522|0.047456|0.056733|0.046446|0.054689|0.063234|0.046701|0.049211|0.040864|0.041102|0.036108|0.036113|0.037221|0.033399|0.033556|0.047918|0.062058|0.065486|0.089632|0.076987|0.099647|0.097837|0.204648|0.500000| |2.537483|2.452621|2.736673|4.081629|0.089944|2.518765|2.561683|0.073413|2.152687|3.809027|1.865474|1.834748|1.728846|5.117339|3.452143|4.666540|8.478342|7.607122|4.456547|3.933368|4.738861|6.860237|6.516504|4.545051|26.652522|8.885023|0.218439|17.560476|16.528580|7.115950|4.829054|3.835762|3.779767|4.606946|6.763723|22.865590|0.063545|0.079875|0.060368|0.068714|0.084351|0.064271|0.065259|0.057064|0.055441|0.049982|0.048590|0.052113|0.046387|0.046708|0.076847|0.093449|0.086575|0.131397|0.101782|0.094944|0.095570|0.207411|0.108110|0.500000| |3.005521|2.935303|3.324082|5.286959|0.121686|3.176411|3.311814|0.094738|2.671390|4.729374|2.246664|2.189508|2.036802|6.946267|4.519696|6.523633|12.253124|9.589798|5.063134|3.964581|4.233329|5.500049|4.545448|3.491779|22.752763|8.894911|0.220945|17.575094|16.521193|7.020384|4.736474|3.775971|3.739652|4.586336|6.775214|22.674126|0.073909|0.094574|0.071332|0.081123|0.100966|0.079504|0.079805|0.070152|0.067233|0.059903|0.057676|0.062028|0.054463|0.054404|0.103164|0.124180|0.105604|0.147279|0.119759|0.094757|0.098010|0.130505|0.083787|0.300998|0.500000| |1.870744|1.920247|2.175849|3.379527|0.070102|2.286114|2.456075|0.075803|2.130026|3.914316|1.936194|1.967039|1.814176|4.550165|2.970887|3.303742|5.249501|5.400384|4.450600|3.848645|3.906614|4.026719|3.571608|3.260110|23.622702|4.080087|0.093079|4.869285|13.445461|8.942904|17.738082|8.920811|5.651508|4.963228|5.657453|31.552416|0.047575|0.055136|0.049479|0.057885|0.063015|0.056840|0.062005|0.054141|0.056621|0.049934|0.051479|0.058591|0.047057|0.049974|0.070976|0.089946|0.077736|0.164363|0.108825|0.109326|0.088040|0.093045|0.080594|0.121542|0.118956|0.500000| |1.587634|1.614284|1.769474|2.716725|0.056965|1.899266|2.078673|0.063039|1.880964|3.557449|1.814605|1.906710|1.796343|3.877309|2.257095|2.429464|4.049807|3.679416|2.859349|2.569178|2.616031|2.722729|2.582541|2.412670|16.934219|2.793774|0.068412|3.328829|7.596962|5.643333|8.940081|17.747871|8.913578|5.656265|4.950813|53.695823|0.041170|0.046284|0.042233|0.047146|0.050406|0.048284|0.051269|0.048250|0.049976|0.046876|0.048098|0.057232|0.046299|0.050676|0.062314|0.068031|0.058997|0.094515|0.074073|0.072844|0.062466|0.070511|0.062612|0.089101|0.087718|0.214574|0.500000| 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