Version2.1 2020-11-29T10:48:36Z 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 CCc1ccc2c(c1)cc(c(=O)[nH]2)C[NH+](Cc3nnnn3C4CCCCC4)C[C@H]5CCCO5 C06197866 RHF 6-31G(d) (6D,7F) CCc1ccc2c(c1)cc(c(=O)[nH]2)C[NH+](Cc3nnnn3C4CCCCC4)C[C@H]5CCCO5 C01[X(C25H35N6O2)] 198 C1 565 CCc1ccc2c(c1)cc(c(=O)[nH]2)C[NH+](Cc1nnnn1C1CCCCC1)C[C@H]1CCCO1 CCc1ccc2c(c1)cc(c(=O)[nH]2)C[NH+](Cc1nnnn1C1CCCCC1)C[C@H]1CCCO1 CCc1ccc2NC(=O)C(=Cc2c1)C[NH+](C[C@H]3CCCO3)Cc4nnnn4C5CCCCC5 InChIKey=CXVZWQXKWGWQCQ-JOCHJYFZSA-O InChI=1S/C25H34N6O2/c1-2-18-10-11-23-19(13-18)14-20(25(32)26-23)15-30(16-22-9-6-12-33-22)17-24-27-28-29-31(24)21-7-4-3-5-8-21/h10-11,13-14,21-22H,2-9,12,15-17H2,1H3,(H,26,32)/p+1/t22-/m1/s1 InChI=1/C25H34N6O2/c1-2-18-10-11-23-19(13-18)14-20(25(32)26-23)15-30(16-22-9-6-12-33-22)17-24-27-28-29-31(24)21-7-4-3-5-8-21/h10-11,13-14,21-22H,2-9,12,15-17H2,1H3,(H,26,32)/p+1/t22-/m1/s1/fC25H35N6O2/h26,30H/q+1 CCc1ccc2c(c1)cc(c(=O)[nH]2)C[NH+](Cc3nnnn3C4CCCCC4)C[C@H]5CCCO5 C01[X(C25H35N6O2)] 198 C01 565 CCc1ccc2c(c1)cc(c(=O)[nH]2)C[NH+](Cc1nnnn1C1CCCCC1)C[C@H]1CCCO1 CC[C]1[CH][CH][C]2[C]([CH]1)[CH]=C(C(=O)N2)C[NH](C[C]1[N][N][N][N@]1C1CCCCC1)C[C@H]1CCCO1 CC[C]1[CH][CH][C]2NC(=O)C(=C[C]2[CH]1)C[NH](C[C]3[N][N][N]N3C4CCCCC4)C[C@H]5CCCO5 InChIKey=PCORXYFVQQSQJF-JOCHJYFZSA-N InChI=1S/C25H35N6O2/c1-2-18-10-11-23-19(13-18)14-20(25(32)26-23)15-30(16-22-9-6-12-33-22)17-24-27-28-29-31(24)21-7-4-3-5-8-21/h10-11,13-14,21-22,30H,2-9,12,15-17H2,1H3,(H,26,32)/t22-/m1/s1 InChI=1/C25H35N6O2/c1-2-18-10-11-23-19(13-18)14-20(25(32)26-23)15-30(16-22-9-6-12-33-22)17-24-27-28-29-31(24)21-7-4-3-5-8-21/h10-11,13-14,21-22,30H,2-9,12,15-17H2,1H3,(H,26,32)/t22-/m1/s1/f/h26H 3428.0126609365 -1443.3034515 1-A 22587.3423 121 444 565 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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| 10.6493 20.4725 21.8093 26.2848 35.5927 38.0801 41.5373 47.5483 61.7344 75.6650 92.2197 101.4125 115.4201 119.1978 140.6375 152.9078 172.3312 179.6801 201.3055 219.9022 241.8501 259.9186 267.6890 276.1042 283.8231 286.7767 327.8029 335.4539 342.6080 379.9162 396.5592 403.6878 412.2224 430.0479 435.0831 459.0390 479.2749 487.6227 496.7579 519.6220 529.7596 544.4784 550.8326 599.7381 633.7150 646.4727 655.7083 676.4588 717.1111 728.4304 753.8656 775.9960 778.7362 811.4252 816.2706 821.2794 838.1797 851.4160 864.7945 866.0938 877.7209 889.2447 912.6505 930.2620 936.1167 939.0074 945.6665 958.3254 969.2812 972.2706 975.9319 997.7061 1011.1934 1013.4631 1015.7214 1020.4145 1031.6116 1060.5207 1074.1567 1091.2316 1096.8753 1107.6565 1113.9532 1116.9449 1119.8962 1145.6715 1150.3991 1160.9992 1166.2233 1170.3532 1171.0074 1189.3700 1203.2102 1211.7204 1223.6398 1232.0424 1254.4942 1261.6017 1266.9546 1274.4773 1282.7429 1301.8876 1307.0101 1315.5568 1326.8306 1334.0696 1342.0798 1373.2285 1380.4186 1388.9597 1393.3454 1400.9152 1403.4516 1405.5959 1408.2380 1419.1286 1429.7567 1431.2951 1446.0495 1451.9406 1463.5099 1484.7808 1488.2321 1497.1503 1502.1757 1503.4434 1510.6190 1512.0265 1517.7288 1529.2952 1531.6798 1534.8943 1551.0850 1560.2012 1561.4894 1564.3922 1572.8424 1579.1614 1593.1656 1604.7320 1622.8701 1630.5214 1631.6722 1632.7869 1634.3645 1635.3824 1636.1645 1640.5030 1640.5218 1644.6406 1648.4735 1651.1766 1653.2942 1658.1991 1666.6749 1671.0741 1676.5363 1688.3399 1746.8100 1781.6567 1816.8375 1842.0721 1897.5285 3186.7192 3189.7587 3206.3107 3206.3310 3207.4144 3217.2946 3217.6634 3219.1536 3225.6703 3235.1884 3241.1468 3247.9996 3256.6065 3257.5496 3259.9426 3261.9647 3267.0199 3272.3099 3274.5345 3275.6392 3277.0510 3279.8589 3289.5393 3294.4672 3296.6825 3304.7062 3318.3609 3331.4861 3357.2003 3360.2815 3362.7578 3365.9959 3383.2125 3509.2689 3837.8372 4.5360 4.6528 3.8531 3.6310 3.4157 3.1857 2.8854 4.2947 4.5078 4.9278 4.3829 5.2267 5.2380 5.0281 3.3290 3.8407 4.6693 3.2026 2.9197 1.6831 1.8134 2.9141 3.2416 2.1208 3.3291 3.5917 3.9592 2.8879 2.7901 2.5094 4.8341 3.1622 4.5026 3.4784 2.3423 3.5357 3.3010 3.5508 3.7814 2.9119 2.3703 2.0839 2.5509 4.5444 3.7169 2.7015 3.4712 3.1970 1.3979 3.5161 4.5657 5.1669 4.4701 4.3156 12.9640 3.8637 3.2343 1.3392 1.4407 3.0275 4.6549 3.6911 2.6103 2.5453 2.5958 1.5330 1.8015 2.9660 1.9235 1.8899 1.7939 2.1829 1.4316 1.7929 1.8750 2.4131 2.1344 2.4650 1.9360 1.5525 2.1915 1.3628 2.6663 1.9965 2.5497 1.3565 6.1586 2.0687 2.6902 2.6541 1.4532 1.7447 1.7669 2.5818 4.4009 2.1359 2.3049 3.8609 3.5430 2.4817 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289.63 316.39 347.97 373.96 385.14 397.25 408.36 412.61 471.64 482.64 492.94 546.61 570.56 580.82 593.10 618.74 625.99 660.45 689.57 701.58 714.72 747.62 762.21 783.38 792.53 862.89 911.77 930.13 943.42 973.27 1031.76 1048.05 1084.64 1116.49 1120.43 1167.46 1174.43 1181.64 1205.95 1225.00 1244.25 1246.12 1262.84 1279.42 1313.10 1338.44 1346.86 1351.02 1360.60 1378.82 1394.58 1398.88 1404.15 1435.48 1454.88 1458.15 1461.40 1468.15 1484.26 1525.85 1545.47 1570.04 1578.16 1593.67 1602.73 1607.03 1611.28 1648.37 1655.17 1670.42 1677.94 1683.88 1684.82 1711.24 1731.15 1743.40 1760.54 1772.63 1804.94 1815.16 1822.87 1833.69 1845.58 1873.13 1880.50 1892.79 1909.01 1919.43 1930.95 1975.77 1986.11 1998.40 2004.71 2015.60 2019.25 2022.34 2026.14 2041.81 2057.10 2059.31 2080.54 2089.02 2105.66 2136.27 2141.23 2154.07 2161.30 2163.12 2173.44 2175.47 2183.67 2200.31 2203.75 2208.37 2231.67 2244.78 2246.63 2250.81 2262.97 2272.06 2292.21 2308.85 2334.95 2345.96 2347.61 2349.22 2351.49 2352.95 2354.08 2360.32 2360.35 2366.27 2371.79 2375.67 2378.72 2385.78 2397.97 2404.30 2412.16 2429.14 2513.27 2563.41 2614.02 2650.33 2730.12 4584.98 4589.35 4613.17 4613.20 4614.75 4628.97 4629.50 4631.64 4641.02 4654.71 4663.29 4673.15 4685.53 4686.89 4690.33 4693.24 4700.51 4708.12 4711.32 4712.91 4714.95 4718.99 4732.91 4740.00 4743.19 4754.74 4774.38 4793.27 4830.26 4834.70 4838.26 4842.92 4867.69 5049.06 5521.79 0.636441 0.664934 0.665878 0.571920 -1442.667011 -1442.638518 -1442.637574 -1442.731531 3.151333D-04 MUNgauss RevisionA2.0 retrievium 29-Nov-2020 DUDE CCc1ccc2c(c1)cc(c(=O)[nH]2)C[NH+](Cc3nnnn3C4CCCCC4)C[C@H]5CCCO5 C06197866 RHF 6-31G(d) (6D,10F) C1 451.282150 |X|Y|Z| 34.664927 51.272795 136.955340 62.438446 30 6 7 8 23 6 1 |36.858105| |12.423632|36.858105| |7.496923|12.580227|36.858105| |5.784549|7.511372|13.556249|36.858105| |4.206743|4.997396|7.830878|13.874571|36.858105| |3.733828|4.409529|6.788466|7.974579|13.662730|36.858105| |4.081723|4.982953|7.857020|6.899558|7.897947|13.677751|36.858105| |5.513856|7.543988|13.864465|8.013938|6.866699|7.894889|13.578176|36.858105| |3.271690|3.792680|5.071102|4.533262|5.129425|7.845233|13.211095|7.626125|36.858105| |2.724306|3.062365|3.927373|3.804362|4.549646|6.820986|7.852394|5.127876|14.231677|36.858105| |2.607015|2.903719|3.755902|3.958290|5.171073|7.857745|6.719400|4.495557|7.827396|13.022182|36.858105| |2.247598|2.455929|3.043887|3.232297|4.080010|5.390994|4.700141|3.491975|5.381355|8.131503|15.639085|73.516695| |2.956618|3.339787|4.546667|5.200461|7.870931|13.765474|7.964766|5.187410|6.959720|7.984247|14.128011|15.054723|53.358707| |2.740111|3.040575|3.991440|4.787031|7.278117|9.216624|5.781016|4.257653|5.099946|5.805305|9.558627|13.921505|25.963947|0.500000| |2.296756|2.529664|3.055152|2.936060|3.354839|4.445705|4.969762|3.805618|7.592925|12.718808|7.627880|12.296436|6.976169|0.117954|36.858105| |2.082477|2.224878|2.634986|2.591402|2.966821|3.757811|3.938212|3.140549|5.237168|7.591395|6.414048|12.362936|6.081253|0.109269|12.579352|53.358707| |2.072476|2.214584|2.649473|2.677403|3.148654|3.997649|3.952013|3.098478|4.973492|7.435970|7.701926|17.616110|6.916986|0.127222|9.430169|25.420763|0.500000| |1.806700|1.924317|2.218136|2.179533|2.443524|2.960444|3.084176|2.580915|3.891515|5.039174|4.510042|9.021580|4.659328|0.087093|7.779597|17.402803|0.258623|36.858105| |1.647730|1.729137|1.971380|1.967115|2.203861|2.592888|2.620044|2.234009|3.124764|3.878037|3.779369|7.861801|4.095366|0.079372|5.046394|10.509053|0.203940|12.724400|36.858105| |1.667990|1.732374|1.981200|2.003249|2.263589|2.641744|2.608873|2.219643|3.028868|3.735938|3.833958|8.144984|4.225441|0.083413|4.465023|9.272884|0.204451|7.703744|14.751124|53.358707| |1.501172|1.548943|1.746076|1.771728|1.979762|2.251543|2.211392|1.923819|2.499069|2.967112|3.069018|6.390043|3.535415|0.071092|3.424736|6.306715|0.136273|5.361316|9.086254|19.413964|53.358707| |1.412277|1.463657|1.636918|1.648790|1.824651|2.067079|2.053962|1.804622|2.331881|2.737893|2.768154|5.670088|3.202330|0.064038|3.232435|5.702959|0.118027|5.307403|8.939770|12.187516|20.725117|53.358707| |1.479857|1.547855|1.738445|1.734714|1.919322|2.207434|2.227226|1.942870|2.592683|3.090031|3.030678|6.181371|3.420102|0.067223|3.854402|6.919872|0.136308|7.549008|14.332048|12.165005|12.428302|19.534061|53.358707| |1.385942|1.455659|1.617541|1.602029|1.750866|1.995576|2.035563|1.803310|2.361154|2.744017|2.639821|5.236104|3.033170|0.059468|3.418206|5.573294|0.107126|5.939856|7.435406|7.237487|7.442701|10.622731|17.600291|36.858105| |1.302135|1.354887|1.487148|1.464184|1.579933|1.779068|1.828154|1.648228|2.096572|2.366445|2.255828|4.361055|2.651580|0.052016|2.864526|4.570132|0.086978|4.448824|5.313828|5.836035|6.284874|8.599271|10.495122|12.445019|36.858105| |1.218286|1.271162|1.382934|1.356602|1.451253|1.620226|1.671638|1.525429|1.901234|2.107956|2.001005|3.814335|2.385987|0.046840|2.514536|3.807912|0.072706|3.557649|3.880915|4.407207|4.630312|5.842616|6.784216|7.570736|12.430919|36.858105| |1.156530|1.210609|1.316789|1.301747|1.396339|1.548385|1.579369|1.441023|1.775214|1.971572|1.907413|3.669502|2.291206|0.045403|2.312946|3.452557|0.067601|3.160928|3.462363|4.029048|4.303961|5.411514|6.016054|6.471241|7.521231|12.443381|36.858105| |1.214680|1.281469|1.405458|1.396500|1.511043|1.685906|1.708394|1.542046|1.928540|2.175885|2.124652|4.149840|2.525845|0.050142|2.578155|3.832734|0.075935|3.586016|3.894957|4.420229|4.633733|5.832396|6.784509|7.569565|6.432969|7.537854|12.443733|36.858105| |1.297736|1.367481|1.515448|1.515025|1.658456|1.867676|1.876860|1.669402|2.133631|2.464425|2.438797|4.887823|2.848881|0.056684|2.960335|4.613682|0.092709|4.505309|5.350561|5.866674|6.293475|8.566604|10.497040|12.443069|7.499002|6.433679|7.521725|12.431670|36.858105| |2.160932|2.248628|2.631343|2.555725|2.864278|3.545802|3.792642|3.126269|4.867094|6.074797|5.145656|9.164659|5.425810|0.098231|7.496518|17.038605|0.253402|7.590830|6.229732|8.559648|6.067501|5.311536|6.033754|3.576705|3.159830|2.618444|2.326689|2.481631|2.926559|36.858105| |2.242913|2.288584|2.696966|2.693066|3.068504|3.731680|3.776485|3.113406|4.431816|5.318089|5.185719|9.318041|5.800592|0.108072|5.373685|10.139954|0.210193|5.166840|4.971569|7.949462|5.910985|4.884675|5.116285|3.015488|2.710308|2.269144|2.062792|2.190719|2.578951|12.492543|36.858105| |2.069937|2.121060|2.492829|2.546738|2.945813|3.525286|3.415210|2.815930|3.897272|4.811150|5.147736|10.184780|5.725884|0.111110|4.924367|9.668883|0.231016|5.250821|5.525325|9.932695|7.103070|5.525962|5.596365|3.178391|2.802372|2.318483|2.136010|2.291994|2.755774|8.898366|17.600522|0.500000| |2.148867|2.130794|2.433982|2.407785|2.648885|3.063574|3.137272|2.742081|3.514374|3.861296|3.722463|6.590774|4.500290|0.085864|3.898265|6.658230|0.132610|3.959952|4.011386|6.367543|5.260622|4.412397|4.456198|2.694099|2.538727|2.137959|1.926680|1.994349|2.306564|7.519963|12.458276|0.245550|36.858105| |2.325642|2.256591|2.581980|2.604556|2.866620|3.217018|3.192161|2.829090|3.356402|3.557111|3.597379|6.229774|4.636668|0.090252|3.340291|5.287226|0.110523|3.163655|3.182632|5.015151|4.329376|3.671317|3.651125|2.262586|2.130764|1.837306|1.688754|1.754066|2.003273|5.129894|8.065736|0.189199|12.464355|36.858105| |2.787165|2.727330|3.244874|3.287691|3.698625|4.280951|4.220998|3.618430|4.320836|4.473082|4.551577|7.374835|6.053931|0.114127|3.858268|5.758803|0.121809|3.255255|3.104729|4.725600|3.974234|3.433366|3.510406|2.204775|2.037237|1.779246|1.647543|1.734178|1.970067|5.355069|8.162662|0.181290|8.011825|12.460951|36.858105| |2.653671|2.710802|3.307715|3.329944|3.883726|4.892117|4.882418|3.867424|5.499569|6.310282|6.324599|10.085618|7.482540|0.134171|5.340750|8.308018|0.178617|4.214178|3.858231|5.837711|4.617113|3.958639|4.157838|2.562527|2.306809|1.991396|1.838108|1.961865|2.261070|7.935370|13.568476|0.258993|8.151919|8.085131|13.398062|73.516695| |17.564233|8.791340|5.480354|4.486695|3.440116|3.100913|3.366713|4.355646|2.813812|2.386291|2.280593|3.552994|3.457982|0.066083|2.059983|2.557311|0.051762|1.654654|1.516507|2.082713|1.889430|1.787485|1.870009|1.295490|1.224211|1.152080|1.095049|1.145720|1.216570|1.946729|2.004747|0.051665|1.940597|2.083378|2.432620|4.125476|0.500000| |17.554136|8.751441|6.780786|6.177317|4.463500|3.767927|3.882508|4.895767|3.089830|2.639798|2.600581|4.013532|4.091038|0.078885|2.217343|2.776251|0.057055|1.766891|1.627923|2.264186|2.044185|1.912947|1.990370|1.362309|1.278213|1.192255|1.135633|1.194036|1.280440|2.117172|2.240466|0.057955|2.151367|2.374140|2.853372|4.743245|0.301666|0.500000| |17.554125|8.765783|6.781946|5.147920|4.012930|3.754453|4.254450|5.717841|3.489212|2.871929|2.694168|4.115662|4.082317|0.076251|2.427000|3.008569|0.060576|1.903628|1.731770|2.388796|2.140375|2.008467|2.107310|1.444799|1.361873|1.269003|1.196842|1.252656|1.341649|2.339049|2.431472|0.061392|2.355967|2.556411|3.087825|5.149531|0.301251|0.301698|0.500000| |8.848551|17.547506|8.925216|7.017445|4.701160|3.979607|4.235718|5.754886|3.303334|2.759536|2.678291|4.090093|4.217114|0.080153|2.309757|2.781222|0.056918|1.789456|1.619123|2.207686|1.988391|1.884853|1.987055|1.378847|1.282667|1.208927|1.158717|1.228664|1.306466|2.039277|2.076681|0.054212|1.932450|2.044439|2.431284|4.311618|0.213472|0.210194|0.172960|0.500000| |8.850142|17.557269|8.926927|5.616084|4.189125|3.965963|4.729531|7.225204|3.801631|3.026425|2.781064|4.198976|4.209668|0.077454|2.547934|3.013662|0.060402|1.931054|1.720737|2.322505|2.076488|1.975758|2.102827|1.464040|1.366719|1.288574|1.223487|1.292363|1.371297|2.234311|2.225863|0.056998|2.076501|2.157845|2.572203|4.610238|0.213181|0.172842|0.210827|0.304516|0.500000| |5.802215|6.996471|8.880847|17.710796|9.020719|5.671973|4.965304|5.684184|3.609552|3.146505|3.309238|4.996952|5.726271|0.113211|2.525993|3.097393|0.065444|1.950577|1.785728|2.483897|2.224969|2.075666|2.167211|1.476676|1.357263|1.263045|1.217189|1.301756|1.405937|2.252820|2.385945|0.063365|2.174117|2.369728|2.909404|5.124208|0.129150|0.186814|0.134740|0.207241|0.142211|0.500000| |3.605146|4.082222|5.594971|8.940956|17.716791|8.876306|5.623699|4.948757|4.165763|3.955470|4.749302|7.068628|9.736406|0.217145|3.039813|3.772958|0.083232|2.318257|2.132092|3.012683|2.662371|2.445198|2.545036|1.701289|1.533313|1.408016|1.364404|1.479585|1.627654|2.660172|2.896124|0.079239|2.514879|2.749406|3.458982|6.372476|0.084508|0.109152|0.094910|0.111318|0.096479|0.217322|0.500000| |5.303707|6.975545|8.963304|5.666302|4.947269|5.636285|8.909898|17.696260|7.024142|4.710718|3.916534|5.582050|5.727587|0.097966|3.720710|4.152254|0.081469|2.547995|2.188508|2.924411|2.542695|2.405927|2.606021|1.794500|1.653628|1.538737|1.444319|1.536106|1.650391|3.076979|2.975076|0.073907|2.669221|2.697737|3.353698|6.357065|0.121464|0.123866|0.160011|0.146193|0.218600|0.124424|0.107427|0.500000| |3.228777|3.718822|4.661373|3.948744|4.165625|5.613939|8.788701|7.009376|17.689360|9.065817|5.569864|7.634703|6.798669|0.109965|6.932604|6.570402|0.120766|3.769051|2.996157|3.877019|3.233718|3.061880|3.432100|2.337338|2.104240|1.924499|1.779253|1.914642|2.091383|4.664605|4.042790|0.097318|3.354764|3.135500|3.879001|8.402633|0.078357|0.082573|0.097238|0.089060|0.108142|0.089895|0.096056|0.212804|0.500000| |2.125749|2.363189|2.823639|2.751380|3.146985|4.056340|4.354120|3.422943|6.040667|8.991743|6.853147|12.097281|6.472968|0.113220|17.627642|12.448270|0.223716|7.642547|4.975645|5.781785|4.556078|4.414709|5.352317|3.594192|2.922239|2.602932|2.438994|2.791773|3.199293|5.563981|4.317064|0.116500|3.276711|2.870199|3.240938|7.558115|0.053422|0.057157|0.061465|0.060950|0.066216|0.066543|0.080622|0.092556|0.154365|0.500000| |2.300496|2.525544|2.983369|2.778089|3.058841|3.928471|4.641420|3.763539|7.144545|8.851213|5.551589|8.866486|5.724052|0.098297|17.629200|12.286967|0.182309|6.910907|4.555708|5.387381|4.265499|4.113929|4.932142|3.328845|2.874400|2.556524|2.308466|2.526316|2.831594|7.024110|4.819816|0.118198|3.749583|3.171049|3.597669|8.407210|0.057711|0.060839|0.068186|0.063568|0.072019|0.066724|0.076273|0.106994|0.215169|0.300863|0.500000| |1.763636|1.901262|2.193145|2.165459|2.435628|2.943714|3.038732|2.540485|3.799267|4.938024|4.520340|9.211738|4.669360|0.087786|7.545686|12.401131|0.219849|17.630801|8.991895|8.241627|6.315199|6.497280|9.100203|5.908239|4.215448|3.534992|3.262643|3.884950|4.854877|5.570229|4.208739|0.120655|3.300175|2.766447|2.900059|6.540387|0.044972|0.047882|0.051110|0.049513|0.053085|0.053924|0.064465|0.069393|0.101439|0.252794|0.179832|0.500000| |1.783524|1.893380|2.153860|2.080320|2.286121|2.741938|2.938139|2.518493|3.729951|4.544075|3.868713|7.288384|4.154533|0.077166|6.905220|12.377673|0.180911|17.601684|8.871787|8.113530|6.230516|6.423579|9.018090|5.891205|4.742066|3.833710|3.254323|3.565748|4.259110|7.097357|4.654257|0.124246|3.805753|3.006808|3.063511|6.837321|0.045615|0.048061|0.052495|0.048726|0.053331|0.051827|0.059732|0.070505|0.105060|0.181382|0.201360|0.301789|0.500000| |1.449961|1.533950|1.708494|1.678518|1.831025|2.106762|2.178057|1.924211|2.571464|2.997976|2.806305|5.490431|3.187735|0.061709|3.875552|6.129804|0.113496|6.950604|7.184269|6.683697|6.283811|7.908517|12.665837|17.549846|8.882295|6.856576|5.711327|6.853913|8.878485|3.794362|3.075076|0.088013|2.703437|2.266160|2.249020|4.703823|0.037610|0.039368|0.042020|0.040265|0.043095|0.042746|0.049015|0.053510|0.071437|0.115403|0.106811|0.202296|0.204844|0.500000| |1.353209|1.402714|1.538000|1.503796|1.616299|1.826855|1.896927|1.714254|2.192438|2.459055|2.303378|4.392594|2.702730|0.052604|2.997789|4.831367|0.089601|4.663639|5.408879|5.958512|6.168220|7.846425|9.599583|8.835556|17.538387|8.784344|5.478534|4.831190|5.480990|3.468917|2.912067|0.082016|2.770284|2.277977|2.160285|4.346697|0.035317|0.036795|0.039545|0.036693|0.039401|0.038614|0.043309|0.048057|0.061714|0.082912|0.085244|0.116766|0.146163|0.215477|0.500000| |1.251774|1.295363|1.419071|1.405829|1.518207|1.696271|1.726328|1.560162|1.953839|2.198498|2.132981|4.146884|2.532617|0.050132|2.597219|4.173410|0.081337|3.885934|4.864252|5.754806|6.691898|9.525376|9.632065|8.896231|17.561712|8.822331|6.771751|5.662124|6.791355|2.942609|2.613762|0.076163|2.488127|2.105335|1.985053|3.945942|0.032721|0.034290|0.036328|0.034137|0.036136|0.036361|0.041182|0.043272|0.054061|0.073072|0.071492|0.101710|0.110709|0.174592|0.302966|0.500000| |1.255022|1.315503|1.430030|1.393458|1.485677|1.665417|1.735212|1.586502|1.989991|2.195997|2.050951|3.868597|2.438318|0.047513|2.651742|3.924324|0.073719|3.687136|3.785262|4.219382|4.257702|5.174341|6.252557|6.803791|8.832696|17.495159|8.842182|6.776858|5.641940|2.673670|2.273862|0.063685|2.127123|1.826948|1.789499|3.578721|0.032983|0.033959|0.036333|0.034705|0.037232|0.035936|0.039815|0.044722|0.056502|0.076699|0.076167|0.103148|0.114084|0.201823|0.214153|0.173377|0.500000| |1.166372|1.210159|1.307999|1.280868|1.362151|1.510431|1.560518|1.436277|1.760792|1.928170|1.830416|3.458778|2.206251|0.043377|2.262412|3.407958|0.065196|3.073597|3.344233|3.940203|4.178222|5.120620|5.624844|5.518751|8.866721|17.566572|8.807057|5.490637|4.833536|2.407171|2.114756|0.059670|2.033305|1.755334|1.686103|3.310371|0.030740|0.031709|0.033789|0.031976|0.034098|0.033242|0.036723|0.040357|0.049701|0.064198|0.064309|0.083458|0.092346|0.140567|0.212074|0.214771|0.303846|0.500000| |1.107971|1.160639|1.255153|1.237717|1.319930|1.455751|1.489090|1.369250|1.664619|1.827828|1.762505|3.356280|2.136399|0.042326|2.122433|3.099397|0.060633|2.770523|2.938496|3.471280|3.651030|4.415075|4.856866|4.854637|5.488482|8.829499|17.560615|8.828790|5.488526|2.099636|1.869909|0.053373|1.755813|1.553666|1.523305|3.000693|0.029245|0.030169|0.031786|0.030935|0.032673|0.032237|0.035805|0.038247|0.046572|0.062249|0.059290|0.079939|0.079847|0.127852|0.123066|0.139161|0.215108|0.211415|0.500000| |1.114867|1.161615|1.261833|1.253316|1.345329|1.483422|1.502619|1.372893|1.674262|1.856960|1.817743|3.511357|2.198236|0.043847|2.147010|3.237649|0.064198|2.904754|3.281061|3.947207|4.362547|5.524536|5.740211|5.674618|6.776145|8.851547|17.517146|8.851447|6.776041|2.211317|1.998136|0.057950|1.884339|1.660335|1.605496|3.158532|0.029340|0.030519|0.032031|0.030926|0.032493|0.032664|0.036688|0.038086|0.046364|0.062348|0.059059|0.082103|0.081709|0.131923|0.139073|0.199175|0.173689|0.214739|0.303555|0.500000| |1.250848|1.327501|1.456260|1.439114|1.553526|1.740890|1.778576|1.606157|2.022947|2.277221|2.192273|4.240643|2.596591|0.051168|2.730564|3.952676|0.077274|3.720080|3.798643|4.231123|4.260247|5.166513|6.252185|6.801856|5.640571|6.776130|8.842048|17.495277|8.832786|2.521483|2.191004|0.062934|1.978896|1.741046|1.741330|3.521635|0.032779|0.034014|0.035811|0.035343|0.037356|0.037157|0.042035|0.044633|0.056160|0.083417|0.075078|0.115287|0.104650|0.201693|0.126445|0.130995|0.199093|0.139174|0.215102|0.173687|0.500000| |1.161015|1.225392|1.340842|1.339341|1.448968|1.603703|1.612219|1.460078|1.798073|2.018486|1.998151|3.908802|2.402356|0.048072|2.342409|3.438420|0.069259|3.104904|3.359699|3.956252|4.182751|5.109302|5.625497|5.518347|4.833414|5.490673|8.807199|17.567459|8.867442|2.232329|2.009425|0.058684|1.833790|1.636315|1.622182|3.238233|0.030475|0.031783|0.033117|0.032793|0.034253|0.034837|0.039635|0.040253|0.049329|0.070691|0.063258|0.093981|0.084322|0.140522|0.106543|0.126896|0.139181|0.123124|0.211377|0.214746|0.303869|0.500000| |1.247757|1.306800|1.444566|1.452420|1.590263|1.775619|1.768784|1.578806|1.984935|2.279526|2.292008|4.611243|2.709874|0.054445|2.670856|4.208073|0.086158|3.925206|4.894234|5.786167|6.703999|9.482332|9.636234|8.897758|6.792899|5.662879|6.771827|8.821625|17.559984|2.745364|2.491505|0.074912|2.261588|1.978103|1.920697|3.871009|0.032525|0.034348|0.035813|0.034740|0.036250|0.037618|0.043632|0.043196|0.053770|0.078763|0.070607|0.113193|0.102120|0.174573|0.139700|0.200946|0.131020|0.126901|0.139153|0.199164|0.173366|0.214757|0.500000| |1.344876|1.426554|1.592093|1.600816|1.767110|1.999162|1.991919|1.755091|2.265582|2.654866|2.667362|5.445996|3.089347|0.061687|3.191473|4.919214|0.101113|4.775071|5.474929|6.014308|6.182712|7.805830|9.602768|8.834036|5.480979|4.831422|5.478654|8.783918|17.540629|2.999480|2.654271|0.079515|2.320504|2.034630|2.030687|4.187358|0.034917|0.036911|0.038480|0.037939|0.039640|0.041175|0.048317|0.047882|0.061007|0.098529|0.082843|0.152426|0.119396|0.215318|0.123321|0.139683|0.126462|0.106544|0.123060|0.139076|0.214121|0.212078|0.303023|0.500000| |1.949524|2.011682|2.301968|2.235246|2.465704|2.954019|3.136218|2.680493|3.875754|4.607706|4.055533|7.463354|4.455573|0.082872|5.780501|12.329197|0.194055|7.806918|7.165267|9.592575|6.872961|6.084293|6.975245|4.036005|3.653308|2.929728|2.536144|2.657518|3.160096|17.681017|8.908154|0.206443|7.152465|4.655793|4.440642|10.244735|0.049372|0.053056|0.058468|0.051064|0.055809|0.055567|0.064374|0.074193|0.106454|0.130960|0.159835|0.151253|0.221359|0.117212|0.115303|0.094193|0.082455|0.074999|0.062924|0.067043|0.074268|0.065503|0.082602|0.087566|0.500000| |2.346347|2.445493|2.859508|2.698123|2.963159|3.696904|4.190400|3.494114|5.624248|6.450529|4.925688|8.115795|5.369008|0.094833|7.634794|12.282669|0.187037|6.092979|4.814132|6.351293|4.877845|4.436285|5.036355|3.167484|2.867201|2.449231|2.171065|2.295253|2.627320|17.646862|8.867319|0.175095|6.608809|4.836161|5.330682|13.309622|0.058523|0.062984|0.071506|0.060763|0.068256|0.065452|0.074754|0.097922|0.158886|0.150442|0.229121|0.134372|0.174829|0.095136|0.087973|0.073601|0.070566|0.063116|0.055169|0.056978|0.065603|0.057547|0.068076|0.074522|0.300901|0.500000| |1.916438|1.901941|2.144776|2.134767|2.340341|2.662964|2.696560|2.383499|3.001885|3.326677|3.263476|5.980864|3.946557|0.076752|3.471606|6.052907|0.121618|3.871091|4.192084|6.926601|5.964338|4.888906|4.766405|2.832044|2.711470|2.246043|2.015039|2.065665|2.408898|6.328471|8.723012|0.220561|17.603028|8.657613|5.703967|10.370079|0.048590|0.053397|0.057779|0.048435|0.051631|0.054188|0.062569|0.064678|0.080183|0.083666|0.092871|0.089292|0.103425|0.077200|0.082532|0.075092|0.061217|0.059653|0.050667|0.055256|0.056244|0.052659|0.066505|0.066476|0.190278|0.148488|0.500000| |2.202832|2.173539|2.452976|2.369333|2.550341|2.945819|3.128723|2.795016|3.553536|3.760123|3.443097|5.927029|4.188580|0.078690|3.847859|6.274236|0.118468|3.807178|3.708419|5.532085|4.647770|4.062509|4.197438|2.612633|2.505438|2.133392|1.899905|1.947543|2.216966|7.251369|8.793979|0.174401|17.516474|8.809542|6.829619|12.143196|0.055468|0.060482|0.067949|0.054317|0.059515|0.059325|0.066285|0.077309|0.097720|0.088962|0.107734|0.088228|0.106422|0.073871|0.077165|0.067429|0.059573|0.056721|0.048388|0.051282|0.054099|0.049529|0.059844|0.061476|0.198452|0.203272|0.300705|0.500000| |2.154001|2.098194|2.395742|2.470913|2.752865|3.036436|2.914949|2.576783|3.019676|3.261936|3.448263|6.180275|4.486816|0.090120|3.076640|4.921773|0.106552|3.016653|3.137576|5.103471|4.512500|3.752419|3.639166|2.235489|2.097323|1.803980|1.675133|1.745004|2.005770|4.480411|6.873943|0.189981|8.831329|17.569179|8.805039|11.806661|0.053881|0.061740|0.064675|0.053514|0.055412|0.063201|0.075154|0.067567|0.077461|0.075267|0.079712|0.074147|0.078218|0.061368|0.061537|0.058258|0.049387|0.047854|0.042707|0.046098|0.047738|0.045492|0.055632|0.056748|0.115525|0.112927|0.217542|0.174090|0.500000| |2.317063|2.201309|2.461998|2.457047|2.631886|2.878846|2.898409|2.659920|2.997588|3.073105|3.052504|5.234822|4.019229|0.078438|2.900336|4.446773|0.091178|2.753019|2.763375|4.248310|3.782206|3.280550|3.255362|2.059097|1.973218|1.720791|1.579587|1.624312|1.830783|4.205374|5.728939|0.137699|8.682051|17.602375|8.714696|10.381645|0.058121|0.065733|0.071392|0.055334|0.058595|0.062852|0.070014|0.071378|0.079559|0.070098|0.078312|0.067630|0.074248|0.057286|0.058791|0.054294|0.047574|0.046087|0.040613|0.043220|0.044803|0.042189|0.050317|0.051286|0.109891|0.115073|0.194181|0.217413|0.301811|0.500000| |2.874175|2.800200|3.365321|3.562951|4.105087|4.563741|4.200131|3.609833|4.035114|4.158382|4.533652|7.357888|6.471309|0.126959|3.486054|5.074833|0.111027|2.933626|2.827249|4.315875|3.702068|3.204403|3.244253|2.051273|1.887398|1.661727|1.557893|1.647867|1.867086|4.340139|6.151201|0.155404|5.782345|8.682754|17.617172|16.566982|0.069199|0.083854|0.086886|0.070035|0.071817|0.088374|0.109536|0.090213|0.098324|0.083831|0.088835|0.074434|0.075803|0.057864|0.054913|0.051356|0.046299|0.043734|0.040129|0.042318|0.045889|0.043182|0.050809|0.053833|0.102216|0.118085|0.127831|0.137965|0.221432|0.190698|0.500000| 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